| 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 | 86.3 | Confident | 92.2 | Very high | 82 Ų | 82 | 67.1 Ų | 67.1 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | 0 | 126.9 | 0 | 175.3 | 163.4 | 169.5 | 0 | 0 | 107.5 | L3 L17 K18 E90 I91 Q92 | M1-L3 HydrophobicContact CE-CD2 3.92Å; M1-L17 HydrophobicContact CE-CD2 3.84Å; M1-L17 HydrophobicContact SD-CD2 3.99Å; M1-K18 HydrophobicContact SD-CG 4.23Å; M1-E90 PolarHBondContact N-O 3.09Å; M1-I91 CarbonylContact O-C 3.52Å; M1-I91 WeakPolarHBondContact O-CA 3.37Å; M1-Q92 PolarHBondContact O-N 3.09Å | |||
| 2 | L | 91.1 | Very high | 92 | Very high | 91 Ų | 91 | 65.8 Ų | 65.8 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.8 | 175.6 | -176.7 | 65.2 | 0 | 0 | 0 | 109.5 | Q92 Q94 | L2-Q92 CarbonylContact C-O 3.36Å; L2-Q92 WeakPolarHBondContact CA-O 3.2Å; L2-Q92 HydrophobicContact CD1-CB 4.1Å; L2-Q92 HydrophobicContact CD1-CG 3.9Å; L2-Q94 HydrophobicContact CD1-CB 4.24Å |
| 3 | L | 92.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 149 | 162.1 | -70 | 179.7 | 0 | 0 | 0 | 108.8 | M1 I5 L17 L57 I91 Q92 I93 Q94 | M1-L3 HydrophobicContact CE-CD2 3.92Å; L3-I5 HydrophobicContact CB-CD1 4.41Å; L3-I5 HydrophobicContact CB-CG1 4.36Å; L3-I5 HydrophobicContact CD1-CD1 4.33Å; L3-L17 HydrophobicContact CD1-CD2 4.06Å; L3-L57 HydrophobicContact CD1-CD2 3.7Å; L3-I91 HydrophobicContact CD1-CG2 3.91Å; L3-I91 HydrophobicContact CG-CG2 4.17Å; L3-Q92 PolarHBondContact N-O 2.79Å; L3-I93 HydrophobicContact CB-CG1 4.39Å; L3-I93 HydrophobicContact CD1-CG1 4.48Å; L3-Q94 PolarHBondContact O-N 2.69Å |
| 4 | K | 93 | Very high | 92.2 | Very high | 120 Ų | 120 | 70.1 Ų | 70.1 | 52% | 0.522 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.4 | 170.3 | -69.3 | -175 | 170 | -125.5 | 0 | 107.5 | Q94 L96 | K4-Q94 WeakPolarHBondContact CA-O 2.93Å; K4-Q94 HydrophobicContact CG-CB 4.38Å; K4-L96 HydrophobicContact CB-CD1 3.83Å; K4-L96 HydrophobicContact CB-CD2 4.19Å; K4-L96 HydrophobicContact CB-CG 3.93Å; K4-L96 HydrophobicContact CD-CD2 4.23Å; K4-L96 HydrophobicContact CG-CD2 4.38Å |
| 5 | I | 94 | Very high | 92.2 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 124.3 | -172.2 | -55.9 | 179.2 | 0 | 0 | 0 | 108 | L3 T9 F15 F41 L63 I93 Q94 V95 L96 | L3-I5 HydrophobicContact CB-CD1 4.41Å; L3-I5 HydrophobicContact CB-CG1 4.36Å; L3-I5 HydrophobicContact CD1-CD1 4.33Å; I5-T9 HydrophobicContact CG2-CG2 4.3Å; I5-T9 WeakPolarHBondContact CG2-OG1 3.34Å; I5-F15 HydrophobicContact CB-CZ 4.31Å; I5-F15 HydrophobicContact CD1-CD1 4.19Å; I5-F15 HydrophobicContact CD1-CD2 4.07Å; I5-F15 HydrophobicContact CD1-CE1 3.97Å; I5-F15 HydrophobicContact CD1-CE2 3.84Å; I5-F15 HydrophobicContact CD1-CG 4.24Å; I5-F15 HydrophobicContact CD1-CZ 3.79Å; I5-F15 HydrophobicContact CG1-CD1 4.27Å; I5-F15 HydrophobicContact CG1-CE1 3.77Å; I5-F15 HydrophobicContact CG1-CE2 4.42Å; I5-F15 HydrophobicContact CG1-CZ 3.86Å; I5-F15 HydrophobicContact CG2-CE1 4.2Å; I5-F15 HydrophobicContact CG2-CE2 4.23Å; I5-F15 HydrophobicContact CG2-CZ 3.57Å; I5-F41 HydrophobicContact CD1-CE1 3.9Å; I5-F41 HydrophobicContact CD1-CZ 3.85Å; I5-L63 HydrophobicContact CB-CD1 4.05Å; I5-L63 HydrophobicContact CG2-CD1 3.62Å; I5-I93 HydrophobicContact CB-CG2 4.4Å; I5-I93 HydrophobicContact CD1-CG2 3.82Å; I5-I93 HydrophobicContact CG1-CG2 4.15Å; I5-Q94 PolarHBondContact N-O 2.83Å; I5-Q94 VanDerWaalsContact N-O 3.09Å; I5-V95 CarbonylContact O-C 3.52Å; I5-V95 VanDerWaalsContact O-CA 3.24Å; I5-V95 WeakPolarHBondContact O-CA 3.47Å; I5-L96 PolarHBondContact O-N 2.76Å |
| 6 | S | 92.2 | Very high | 92.1 | Very high | 30 Ų | 30 | 69.6 Ų | 69.6 | 21% | 0.21 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 147.4 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | I8 T9 L96 I98 | S6-I8 PolarHBondContact O-N 3.08Å; S6-T9 WeakPolarHBondContact O-CB 3.44Å; S6-T9 PolarHBondContact O-N 2.69Å; S6-T9 PolarHBondContact O-OG1 2.77Å; S6-L96 VanDerWaalsContact CA-O 3.22Å; S6-L96 WeakPolarHBondContact CA-O 3.32Å; S6-L96 VanDerWaalsContact CB-O 3.28Å; S6-L96 WeakPolarHBondContact CB-O 3.2Å; S6-L96 PolarHBondContact OG-O 2.76Å; S6-I98 WeakPolarHBondContact OG-CG2 3.33Å |
| 7 | E | 93.1 | Very high | 92 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -31.9 | -174.6 | 46 | -105.9 | 102 | 0 | 0 | 115.6 | T9 L63 R65 V95 D97 I98 | E7-T9 PolarHBondContact O-N 3.05Å; E7-L63 HydrophobicContact CB-CB 4.14Å; E7-L63 VanDerWaalsContact CB-O 3.32Å; E7-L63 WeakPolarHBondContact CB-O 3.43Å; E7-R65 WeakPolarHBondContact OE2-CA 3.38Å; E7-R65 WeakPolarHBondContact OE2-CB 3.43Å; E7-R65 PolarHBondContact OE2-N 3.18Å; E7-V95 HydrophobicContact CB-CG1 4.32Å; E7-D97 VanDerWaalsContact OE1-CA 3.32Å; E7-D97 WeakPolarHBondContact OE1-CA 3.12Å; E7-D97 PolarHBondContact OE1-N 2.78Å; E7-I98 HydrophobicContact CG-CD1 3.49Å; E7-I98 VanDerWaalsContact CG-CD1 3.49Å; E7-I98 HydrophobicContact CG-CG1 3.73Å; E7-I98 HydrophobicContact CG-CG2 4.32Å; E7-I98 PolarHBondContact OE1-N 3.31Å |
| 8 | I | 92.9 | Very high | 91.8 | Very high | 125 Ų | 125 | 71.8 Ų | 71.8 | 64% | 0.641 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 1.9 | 168.8 | 58.8 | 171.4 | 0 | 0 | 0 | 114.1 | S6 M10 I98 | S6-I8 PolarHBondContact O-N 3.08Å; I8-M10 PolarHBondContact O-N 2.9Å; I8-I98 HydrophobicContact CG1-CG2 4.26Å; I8-I98 HydrophobicContact CG2-CD1 3.48Å; I8-I98 VanDerWaalsContact CG2-CD1 3.48Å; I8-I98 HydrophobicContact CG2-CG2 4.36Å |
| 9 | T | 93.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 70.2 Ų | 70.2 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | trans | -62.2 | 106.2 | 169.4 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | I5 S6 E7 K13 F15 L59 | I5-T9 HydrophobicContact CG2-CG2 4.3Å; I5-T9 WeakPolarHBondContact CG2-OG1 3.34Å; S6-T9 WeakPolarHBondContact O-CB 3.44Å; S6-T9 PolarHBondContact O-N 2.69Å; S6-T9 PolarHBondContact O-OG1 2.77Å; E7-T9 PolarHBondContact O-N 3.05Å; T9-K13 HydrophobicContact CG2-CB 3.36Å; T9-K13 HydrophobicContact CG2-CD 4.44Å; T9-K13 HydrophobicContact CG2-CG 3.56Å; T9-F15 HydrophobicContact CG2-CE2 4.21Å; T9-F15 HydrophobicContact CG2-CZ 3.88Å; T9-L59 HydrophobicContact CG2-CD2 3.58Å; T9-L59 WeakPolarHBondContact O-CD2 3.24Å | ||
| 10 | M | 92.2 | Very high | 91.4 | Very high | 157 Ų | 157 | 68.4 Ų | 68.4 | 77% | 0.773 | 37% | 0.365 | S | S | * | . | trans | -55.7 | 138.6 | 173.6 | -61.5 | 175.7 | -177.8 | 0 | 0 | 111.9 | I8 K13 | I8-M10 PolarHBondContact O-N 2.9Å; M10-K13 WeakPolarHBondContact O-CB 3.47Å; M10-K13 PolarHBondContact O-N 2.97Å | ||
| 11 | P | 93.3 | Very high | 91.1 | Very high | 71 Ų | 71 | 72.5 Ų | 72.5 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 150.2 | 168.3 | -29.1 | 36.7 | 0 | 0 | 0 | 113 | K13 | P11-K13 VanDerWaalsContact C-N 3.32Š|
| 12 | G | 90.1 | Very high | 91 | Very high | 51 Ų | 51 | 71.8 Ų | 71.8 | 53% | 0.526 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -3.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I14 L59 | G12-I14 PolarHBondContact O-N 2.88Å; G12-L59 PolarHBondContact N-O 2.81Å |
| 13 | K | 93 | Very high | 90.7 | Very high | 117 Ų | 117 | 75.3 Ų | 75.3 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | trans | -65.2 | 131.2 | 174.1 | -170.3 | 74.1 | 173.4 | -167 | 0 | 111.1 | T9 M10 P11 F15 V58 L59 | T9-K13 HydrophobicContact CG2-CB 3.36Å; T9-K13 HydrophobicContact CG2-CD 4.44Å; T9-K13 HydrophobicContact CG2-CG 3.56Å; M10-K13 WeakPolarHBondContact O-CB 3.47Å; M10-K13 PolarHBondContact O-N 2.97Å; P11-K13 VanDerWaalsContact C-N 3.32Å; K13-F15 HydrophobicContact CB-CE2 3.96Å; K13-F15 HydrophobicContact CB-CZ 4.31Å; K13-F15 HydrophobicContact CG-CD2 4.39Å; K13-F15 HydrophobicContact CG-CE1 4.34Å; K13-F15 HydrophobicContact CG-CE2 3.63Å; K13-F15 HydrophobicContact CG-CZ 3.6Å; K13-V58 WeakPolarHBondContact O-CA 3.35Å; K13-L59 PolarHBondContact O-N 2.92Å | ||
| 14 | I | 92.9 | Very high | 90.3 | Very high | 76 Ų | 76 | 78.9 Ų | 78.9 | 39% | 0.39 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131 | 179.8 | -49.5 | -177 | 0 | 0 | 0 | 110.6 | G12 E56 L57 V58 | G12-I14 PolarHBondContact O-N 2.88Å; I14-E56 HydrophobicContact CG2-CB 3.68Å; I14-E56 HydrophobicContact CG2-CG 3.97Å; I14-L57 CarbonylContact C-O 3.51Å; I14-L57 WeakPolarHBondContact CA-O 3.32Å; I14-V58 HydrophobicContact CG1-CG2 4.23Å; I14-V58 HydrophobicContact CG2-CG2 4.44Å |
| 15 | F | 92.7 | Very high | 89.6 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112.2 | 176.4 | -61.5 | -88 | 0 | 0 | 0 | 110 | I5 T9 K13 L17 L57 L59 | I5-F15 HydrophobicContact CB-CZ 4.31Å; I5-F15 HydrophobicContact CD1-CD1 4.19Å; I5-F15 HydrophobicContact CD1-CD2 4.07Å; I5-F15 HydrophobicContact CD1-CE1 3.97Å; I5-F15 HydrophobicContact CD1-CE2 3.84Å; I5-F15 HydrophobicContact CD1-CG 4.24Å; I5-F15 HydrophobicContact CD1-CZ 3.79Å; I5-F15 HydrophobicContact CG1-CD1 4.27Å; I5-F15 HydrophobicContact CG1-CE1 3.77Å; I5-F15 HydrophobicContact CG1-CE2 4.42Å; I5-F15 HydrophobicContact CG1-CZ 3.86Å; I5-F15 HydrophobicContact CG2-CE1 4.2Å; I5-F15 HydrophobicContact CG2-CE2 4.23Å; I5-F15 HydrophobicContact CG2-CZ 3.57Å; T9-F15 HydrophobicContact CG2-CE2 4.21Å; T9-F15 HydrophobicContact CG2-CZ 3.88Å; K13-F15 HydrophobicContact CB-CE2 3.96Å; K13-F15 HydrophobicContact CB-CZ 4.31Å; K13-F15 HydrophobicContact CG-CD2 4.39Å; K13-F15 HydrophobicContact CG-CE1 4.34Å; K13-F15 HydrophobicContact CG-CE2 3.63Å; K13-F15 HydrophobicContact CG-CZ 3.6Å; F15-L17 PolarHBondContact O-N 2.85Å; F15-L57 HydrophobicContact CB-CB 4.29Å; F15-L57 PolarHBondContact N-O 3.09Å; F15-L57 PolarHBondContact O-N 2.87Å; F15-L59 HydrophobicContact CE2-CB 4.47Å |
| 16 | P | 90.8 | Very high | 89 | Confident | 99 Ų | 99 | 82.3 Ų | 82.3 | 64% | 0.643 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.9 | -179.8 | 28.5 | -33.6 | 0 | 0 | 0 | 110.9 | ||
| 17 | L | 90.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 84.5 Ų | 84.5 | 6% | 0.058 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 160.8 | 177.1 | -66.8 | 172.8 | 0 | 0 | 0 | 111.1 | M1 L3 F15 P55 L57 L75 I91 | M1-L17 HydrophobicContact CE-CD2 3.84Å; M1-L17 HydrophobicContact SD-CD2 3.99Å; L3-L17 HydrophobicContact CD1-CD2 4.06Å; F15-L17 PolarHBondContact O-N 2.85Å; L17-P55 HydrophobicContact CB-CB 3.95Å; L17-P55 HydrophobicContact CB-CG 3.73Å; L17-P55 WeakPolarHBondContact CB-O 3.27Å; L17-P55 HydrophobicContact CD1-CB 4.05Å; L17-P55 PolarHBondContact N-O 3.4Å; L17-L57 HydrophobicContact CD1-CB 3.86Å; L17-L57 HydrophobicContact CG-CB 4.11Å; L17-L75 HydrophobicContact CD1-CD1 4.27Å; L17-L75 HydrophobicContact CD1-CD2 4.28Å; L17-I91 HydrophobicContact CD1-CD1 3.57Å; L17-I91 HydrophobicContact CD2-CD1 3.99Å; L17-I91 HydrophobicContact CG-CD1 4.45Å |
| 18 | K | 87.3 | Confident | 87.8 | Confident | 169 Ų | 169 | 87.5 Ų | 87.5 | 74% | 0.735 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -68 | 133.3 | 172.9 | -66.9 | -174.4 | 177.8 | -174.9 | 0 | 109.8 | M1 P55 | M1-K18 HydrophobicContact SD-CG 4.23Å; K18-P55 WeakPolarHBondContact O-CG 3.42Å |
| 19 | M | 88.1 | Confident | 87.4 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 20% | 0.202 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 147.2 | 173.4 | 66 | 177.5 | -70.8 | 0 | 0 | 111.5 | Y33 F54 | M19-Y33 VanDerWaalsContact CA-OH 3.32Å; M19-Y33 WeakPolarHBondContact CA-OH 3.45Å; M19-Y33 WeakPolarHBondContact CB-OH 3.32Å; M19-F54 HydrophobicContact CB-CD1 3.91Å; M19-F54 HydrophobicContact CB-CE1 4.12Å; M19-F54 HydrophobicContact CG-CD1 4.32Å; M19-F54 HydrophobicContact CG-CE1 4.02Å; M19-F54 HydrophobicContact SD-CD1 4.33Å; M19-F54 HydrophobicContact SD-CE1 3.61Å; M19-F54 HydrophobicContact SD-CZ 3.82Å |
| 20 | A | 87.1 | Confident | 87.1 | Confident | 33 Ų | 33 | 81.8 Ų | 81.8 | 27% | 0.273 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 149.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L30 Y33 A77 | A20-L30 HydrophobicContact CB-CD1 4.44Å; A20-Y33 HydrophobicContact CB-CE1 3.95Å; A20-Y33 PolarHBondContact N-OH 2.92Å; A20-A77 HydrophobicContact CB-CB 3.7Å |
| 21 | H | 85.2 | Confident | 86.9 | Confident | 156 Ų | 156 | 77.4 Ų | 77.4 | 72% | 0.722 | 44% | 0.443 | S | S | * | . | trans | -106.3 | 121.9 | 170.7 | -75 | -71.3 | 0 | 0 | 0 | 109.4 | ||||
| 22 | D | 85.1 | Confident | 86.7 | Confident | 67 Ų | 67 | 81.1 Ų | 81.1 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | trans | -110.3 | 148.9 | 170.3 | -161.5 | -21.6 | 0 | 0 | 0 | 108 | D24 G29 L30 | D22-D24 PolarHBondContact OD1-N 3.18Å; D22-D24 VanDerWaalsContact OD1-N 3.09Å; D22-G29 WeakPolarHBondContact OD2-CA 3.08Å; D22-L30 HydrophobicContact CB-CB 4.03Å; D22-L30 PolarHBondContact OD2-N 2.99Å | ||
| 23 | L | 84.9 | Confident | 86.8 | Confident | 164 Ų | 164 | 79.1 Ų | 79.1 | 86% | 0.859 | 42% | 0.424 | S | S | * | . | trans | -100.6 | -19 | 179.5 | -61.4 | 178.8 | 0 | 0 | 0 | 111.9 | ||||
| 24 | D | 83.6 | Confident | 86.7 | Confident | 98 Ų | 98 | 75.9 Ų | 75.9 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | trans | -80.6 | 149.8 | 178.8 | -76.7 | -23.3 | 0 | 0 | 0 | 111.8 | D22 N28 G29 | D22-D24 PolarHBondContact OD1-N 3.18Å; D22-D24 VanDerWaalsContact OD1-N 3.09Å; D24-N28 HydrophobicContact CB-CB 3.99Å; D24-G29 VanDerWaalsContact O-CA 3.24Å; D24-G29 WeakPolarHBondContact O-CA 3.14Å | ||
| 25 | T | 79.8 | Confident | 86.8 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 78% | 0.779 | 40% | 0.403 | S | S | * | . | trans | -113.3 | 158.3 | -175.1 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 26 | G | 79.6 | Confident | 86.7 | Confident | 67 Ų | 67 | 74 Ų | 74 | 69% | 0.691 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -128.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | N28 Q31 | G26-N28 VanDerWaalsContact C-N 3.32Å; G26-Q31 PolarHBondContact O-NE2 3.22Å; G26-Q31 VanDerWaalsContact O-NE2 3.08Å |
| 27 | S | 79.1 | Confident | 86.7 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 53% | 0.531 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -36.4 | 177.1 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | G29 Q31 G80 | S27-G29 VanDerWaalsContact C-N 3.35Å; S27-G29 PolarHBondContact O-N 2.79Å; S27-Q31 PolarHBondContact O-NE2 2.89Å; S27-G80 CarbonylContact O-C 3.6Å; S27-G80 WeakPolarHBondContact O-CA 3.45Å; S27-G80 PolarHBondContact O-N 2.9Å |
| 28 | N | 82.4 | Confident | 86.8 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 41% | 0.406 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -82.9 | -13.7 | -169.3 | -63.9 | 13.8 | 0 | 0 | 0 | 113 | D24 G26 D79 | D24-N28 HydrophobicContact CB-CB 3.99Å; G26-N28 VanDerWaalsContact C-N 3.32Å; N28-D79 WeakPolarHBondContact O-CB 3.28Å |
| 29 | G | 83.6 | Confident | 87 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 8% | 0.082 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -77.8 | 156.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D22 D24 S27 Q31 | D22-G29 WeakPolarHBondContact OD2-CA 3.08Å; D24-G29 VanDerWaalsContact O-CA 3.24Å; D24-G29 WeakPolarHBondContact O-CA 3.14Å; S27-G29 VanDerWaalsContact C-N 3.35Å; S27-G29 PolarHBondContact O-N 2.79Å; G29-Q31 WeakPolarHBondContact O-CG 3.43Å; G29-Q31 PolarHBondContact O-N 3.33Å; G29-Q31 PolarHBondContact O-NE2 2.85Å |
| 30 | L | 87.9 | Confident | 87.2 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | trans | -19.2 | 108.9 | 167.6 | 176.8 | 70.3 | 0 | 0 | 0 | 114.7 | A20 D22 Y33 K53 A77 | A20-L30 HydrophobicContact CB-CD1 4.44Å; D22-L30 HydrophobicContact CB-CB 4.03Å; D22-L30 PolarHBondContact OD2-N 2.99Å; L30-Y33 HydrophobicContact CD1-CE1 4.06Å; L30-Y33 HydrophobicContact CD1-CE2 4.38Å; L30-Y33 HydrophobicContact CD2-CE2 4.17Å; L30-Y33 VanDerWaalsContact CD2-OH 3.25Å; L30-Y33 WeakPolarHBondContact CD2-OH 3.39Å; L30-K53 HydrophobicContact CD2-CB 4.16Å; L30-K53 WeakPolarHBondContact O-CD 3.15Å; L30-K53 VanDerWaalsContact O-CE 3.22Å; L30-K53 WeakPolarHBondContact O-CE 3.25Å; L30-A77 HydrophobicContact CD1-CB 3.84Å | ||
| 31 | Q | 87.1 | Confident | 87.6 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | trans | -100.3 | -41.5 | 179.6 | -66 | -54.1 | -26.8 | 0 | 0 | 114.7 | G26 S27 G29 K53 L78 G80 | G26-Q31 PolarHBondContact O-NE2 3.22Å; G26-Q31 VanDerWaalsContact O-NE2 3.08Å; S27-Q31 PolarHBondContact O-NE2 2.89Å; G29-Q31 WeakPolarHBondContact O-CG 3.43Å; G29-Q31 PolarHBondContact O-N 3.33Å; G29-Q31 PolarHBondContact O-NE2 2.85Å; Q31-K53 VanDerWaalsContact O-CD 3.25Å; Q31-K53 WeakPolarHBondContact O-CD 3.22Å; Q31-K53 PolarHBondContact O-NZ 2.9Å; Q31-L78 PolarHBondContact N-O 2.82Å; Q31-G80 VanDerWaalsContact CG-CA 3.5Å | ||
| 32 | R | 89.1 | Confident | 88 | Confident | 150 Ų | 150 | 65.5 Ų | 65.5 | 57% | 0.566 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 161.2 | -176.9 | 66 | 179.8 | -180 | 178 | 0.5 | 113 | L78 | R32-L78 HydrophobicContact CG-CB 3.97Å; R32-L78 HydrophobicContact CG-CD1 4.13Å; R32-L78 PolarHBondContact N-O 2.78Å; R32-L78 PolarHBondContact O-N 3.19Å |
| 33 | Y | 91.9 | Very high | 88.4 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 146.5 | 164.7 | -57.5 | -87.7 | 0 | 0 | 0 | 110.6 | M19 A20 L30 T45 K53 P55 L75 I76 A77 | M19-Y33 VanDerWaalsContact CA-OH 3.32Å; M19-Y33 WeakPolarHBondContact CA-OH 3.45Å; M19-Y33 WeakPolarHBondContact CB-OH 3.32Å; A20-Y33 HydrophobicContact CB-CE1 3.95Å; A20-Y33 PolarHBondContact N-OH 2.92Å; L30-Y33 HydrophobicContact CD1-CE1 4.06Å; L30-Y33 HydrophobicContact CD1-CE2 4.38Å; L30-Y33 HydrophobicContact CD2-CE2 4.17Å; L30-Y33 VanDerWaalsContact CD2-OH 3.25Å; L30-Y33 WeakPolarHBondContact CD2-OH 3.39Å; Y33-T45 HydrophobicContact CD2-CG2 4.08Å; Y33-T45 HydrophobicContact CE2-CG2 4.5Å; Y33-T45 PolarHBondContact N-OG1 2.71Å; Y33-K53 HydrophobicContact CE2-CB 4.36Å; Y33-K53 WeakPolarHBondContact CE2-O 3.39Å; Y33-K53 PolarHBondContact OH-O 3.49Å; Y33-P55 HydrophobicContact CD1-CB 4Å; Y33-P55 HydrophobicContact CD1-CG 3.89Å; Y33-P55 HydrophobicContact CD2-CB 3.72Å; Y33-P55 HydrophobicContact CD2-CG 4Å; Y33-P55 HydrophobicContact CE1-CB 4.27Å; Y33-P55 HydrophobicContact CE1-CG 3.67Å; Y33-P55 HydrophobicContact CE2-CB 4.03Å; Y33-P55 HydrophobicContact CE2-CG 3.81Å; Y33-P55 HydrophobicContact CG-CB 3.69Å; Y33-P55 HydrophobicContact CG-CG 4.03Å; Y33-L75 HydrophobicContact CD1-CD1 4.3Å; Y33-L75 HydrophobicContact CD1-CG 4.46Å; Y33-I76 CarbonylContact C-O 3.52Å; Y33-I76 WeakPolarHBondContact CA-O 3.47Å; Y33-A77 HydrophobicContact CD1-CB 3.89Å; Y33-A77 HydrophobicContact CE1-CB 3.84Å |
| 34 | T | 91.8 | Very high | 88.7 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 31% | 0.307 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 161.5 | 165.8 | 56.1 | 0 | 0 | 0 | 0 | 109.2 | I76 L78 | T34-I76 PolarHBondContact N-O 2.9Å; T34-I76 PolarHBondContact O-N 3.04Å; T34-L78 HydrophobicContact CG2-CD1 4.47Å |
| 35 | I | 94 | Very high | 89 | Confident | 29 Ų | 29 | 57 Ų | 57 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 164.1 | 171.7 | 53.6 | 169.6 | 0 | 0 | 0 | 110.8 | F41 V43 L57 L73 T74 L75 | I35-F41 HydrophobicContact CD1-CB 4.15Å; I35-F41 WeakPolarHBondContact CD1-O 3.47Å; I35-V43 HydrophobicContact CB-CG1 4.44Å; I35-V43 HydrophobicContact CG1-CB 4.33Å; I35-V43 HydrophobicContact CG1-CG1 4.13Å; I35-V43 HydrophobicContact CG2-CB 4.04Å; I35-V43 HydrophobicContact CG2-CG1 3.97Å; I35-L57 HydrophobicContact CD1-CD1 3.85Å; I35-L73 HydrophobicContact CD1-CD1 4.25Å; I35-T74 CarbonylContact C-O 3.53Å; I35-T74 VanDerWaalsContact CA-O 3.28Å; I35-T74 WeakPolarHBondContact CA-O 3.5Å; I35-L75 HydrophobicContact CG2-CB 4.4Å; I35-L75 HydrophobicContact CG2-CD1 3.69Å |
| 36 | S | 92.6 | Very high | 89.4 | Confident | 38 Ų | 38 | 58 Ų | 58 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | trans | -57.4 | 142.6 | 169.1 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | N38 L73 T74 | S36-N38 PolarHBondContact O-N 2.84Å; S36-N38 PolarHBondContact O-ND2 2.65Å; S36-N38 VanDerWaalsContact O-ND2 3.13Å; S36-L73 WeakPolarHBondContact OG-CA 3.24Å; S36-T74 PolarHBondContact N-O 3.08Å; S36-T74 PolarHBondContact OG-N 3.05Å | ||
| 37 | S | 90.8 | Very high | 89.6 | Confident | 132 Ų | 132 | 59.9 Ų | 59.9 | 92% | 0.923 | 32% | 0.321 | S | S | * | . | trans | -55.3 | 127.9 | 176.5 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 38 | N | 91.7 | Very high | 89.5 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.193 | 33% | 0.328 | C | S | . | . | trans | -159.6 | 161 | 179.9 | 78.5 | 96.1 | 0 | 0 | 0 | 108.7 | S36 H40 F41 L73 | S36-N38 PolarHBondContact O-N 2.84Å; S36-N38 PolarHBondContact O-ND2 2.65Å; S36-N38 VanDerWaalsContact O-ND2 3.13Å; N38-H40 PolarHBondContact OD1-N 3.2Å; N38-H40 VanDerWaalsContact OD1-N 3.11Å; N38-F41 PolarHBondContact ND2-O 2.95Å; N38-F41 PolarHBondContact OD1-N 2.95Å; N38-F41 PolarHBondContact OD1-O 2.89Å; N38-L73 HydrophobicContact CB-CD2 3.58Å | ||
| 39 | P | 91.3 | Very high | 88.7 | Confident | 75 Ų | 75 | 67 Ų | 67 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -93.8 | -6.4 | -174.2 | 32.4 | -29.7 | 0 | 0 | 0 | 115.9 | K61 | P39-K61 WeakPolarHBondContact O-CD 3.49Å; P39-K61 WeakPolarHBondContact O-CE 3.38Å; P39-K61 WeakPolarHBondContact O-CG 3.41Å |
| 40 | H | 93.3 | Very high | 87.8 | Confident | 18 Ų | 18 | 73 Ų | 73 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -109.6 | -18.7 | -174.3 | -53.2 | -99.4 | 0 | 0 | 0 | 114.6 | N38 L59 D60 P62 L63 | N38-H40 PolarHBondContact OD1-N 3.2Å; N38-H40 VanDerWaalsContact OD1-N 3.11Å; H40-L59 HydrophobicContact CB-CD1 4.37Å; H40-L59 CarbonylContact O-C 3.53Å; H40-L59 WeakPolarHBondContact O-CA 3.28Å; H40-D60 PolarHBondContact O-N 2.78Å; H40-P62 PolarHBondContact ND1-O 2.93Å; H40-L63 HydrophobicContact CB-CD2 3.92Å |
| 41 | F | 94.6 | Very high | 87.1 | Confident | 6 Ų | 6 | 74.6 Ų | 74.6 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.5 | -174.5 | -61.2 | -89.1 | 0 | 0 | 0 | 114 | I5 I35 N38 L57 V58 L59 L63 L71 L73 I93 | I5-F41 HydrophobicContact CD1-CE1 3.9Å; I5-F41 HydrophobicContact CD1-CZ 3.85Å; I35-F41 HydrophobicContact CD1-CB 4.15Å; I35-F41 WeakPolarHBondContact CD1-O 3.47Å; N38-F41 PolarHBondContact ND2-O 2.95Å; N38-F41 PolarHBondContact OD1-N 2.95Å; N38-F41 PolarHBondContact OD1-O 2.89Å; F41-L57 HydrophobicContact CB-CD1 3.98Å; F41-L57 HydrophobicContact CB-CG 4.32Å; F41-L57 HydrophobicContact CD1-CD1 4.31Å; F41-L57 HydrophobicContact CD1-CD2 3.72Å; F41-L57 HydrophobicContact CD1-CG 3.74Å; F41-L57 HydrophobicContact CE1-CD2 3.94Å; F41-L57 HydrophobicContact CE1-CG 4.39Å; F41-L57 HydrophobicContact CG-CD1 4.37Å; F41-L57 HydrophobicContact CG-CD2 4.29Å; F41-L57 HydrophobicContact CG-CG 4.28Å; F41-V58 VanDerWaalsContact CA-O 3.24Å; F41-V58 WeakPolarHBondContact CA-O 3.48Å; F41-L59 HydrophobicContact CD1-CB 4.22Å; F41-L59 HydrophobicContact CD1-CD1 3.89Å; F41-L59 HydrophobicContact CE1-CB 4.03Å; F41-L59 HydrophobicContact CE1-CD1 3.37Å; F41-L59 HydrophobicContact CE1-CG 4.31Å; F41-L59 HydrophobicContact CE2-CD1 4.03Å; F41-L59 HydrophobicContact CG-CD1 4.44Å; F41-L59 HydrophobicContact CZ-CD1 3.44Å; F41-L59 VanDerWaalsContact CZ-CD1 3.44Å; F41-L63 HydrophobicContact CE2-CD2 3.82Å; F41-L63 HydrophobicContact CZ-CD1 4.2Å; F41-L63 HydrophobicContact CZ-CD2 3.95Å; F41-L71 HydrophobicContact CE2-CD2 4.27Å; F41-L73 HydrophobicContact CB-CD1 4.14Å; F41-L73 HydrophobicContact CD2-CD1 3.95Å; F41-L73 HydrophobicContact CG-CD1 4.23Å; F41-I93 HydrophobicContact CD2-CD1 3.9Å; F41-I93 HydrophobicContact CE1-CD1 4.17Å; F41-I93 HydrophobicContact CE2-CD1 3.43Å; F41-I93 VanDerWaalsContact CE2-CD1 3.43Å; F41-I93 HydrophobicContact CG-CD1 4.46Å; F41-I93 HydrophobicContact CZ-CD1 3.58Å; F41-I93 HydrophobicContact CZ-CG2 4.41Å |
| 42 | H | 94.1 | Very high | 86.7 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 30% | 0.301 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 174.4 | 158.2 | 73.7 | -91.3 | 0 | 0 | 0 | 111.4 | L44 V58 D60 | H42-L44 WeakPolarHBondContact NE2-CD2 3.37Å; H42-V58 PolarHBondContact N-O 3.44Å; H42-V58 VanDerWaalsContact N-O 3.08Å; H42-V58 PolarHBondContact O-N 2.93Å; H42-D60 IonicContact CE1-OD1 3.69Å; H42-D60 PolarHBondContact CE1-OD1 3.29Å; H42-D60 IonicContact CE1-OD2 3.29Å; H42-D60 IonicContact CG-OD2 3.78Å; H42-D60 PolarHBondContact N-OD2 2.97Å; H42-D60 IonicContact ND1-OD1 3.91Å; H42-D60 PolarHBondContact ND1-OD1 2.97Å; H42-D60 IonicContact ND1-OD2 2.71Å; H42-D60 PolarHBondContact ND1-OD2 2.89Å |
| 43 | V | 93.6 | Very high | 86.6 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 13% | 0.127 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.2 | 173 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | I35 P55 E56 L75 | I35-V43 HydrophobicContact CB-CG1 4.44Å; I35-V43 HydrophobicContact CG1-CB 4.33Å; I35-V43 HydrophobicContact CG1-CG1 4.13Å; I35-V43 HydrophobicContact CG2-CB 4.04Å; I35-V43 HydrophobicContact CG2-CG1 3.97Å; V43-P55 HydrophobicContact CG2-CB 3.86Å; V43-E56 CarbonylContact C-O 3.57Å; V43-E56 WeakPolarHBondContact CA-O 3.4Å; V43-L75 HydrophobicContact CG2-CD1 4.29Å |
| 44 | L | 92 | Very high | 86.4 | Confident | 81 Ų | 81 | 74.5 Ų | 74.5 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141.8 | 170.4 | -63.2 | 179.6 | 0 | 0 | 0 | 109.9 | H42 E56 V58 | H42-L44 WeakPolarHBondContact NE2-CD2 3.37Å; L44-E56 HydrophobicContact CB-CB 4.47Å; L44-E56 PolarHBondContact N-O 3.02Å; L44-E56 PolarHBondContact O-N 2.76Å; L44-V58 HydrophobicContact CD1-CG2 3.78Å; L44-V58 HydrophobicContact CG-CG2 3.92Å |
| 45 | T | 89.7 | Confident | 86.4 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 29% | 0.288 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 106.2 | 171.2 | -61.4 | 0 | 0 | 0 | 0 | 108.7 | Y33 K53 | Y33-T45 HydrophobicContact CD2-CG2 4.08Å; Y33-T45 HydrophobicContact CE2-CG2 4.5Å; Y33-T45 PolarHBondContact N-OG1 2.71Å; T45-K53 HydrophobicContact CG2-CB 3.93Å; T45-K53 HydrophobicContact CG2-CD 4.02Å |
| 46 | R | 86.6 | Confident | 86.4 | Confident | 148 Ų | 148 | 72 Ų | 72 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.5 | -178.6 | -165.9 | 174.2 | -169.8 | 167.7 | 7.7 | 111.2 | K53 F54 E56 | R46-K53 WeakPolarHBondContact O-CA 3.32Å; R46-F54 PolarHBondContact N-O 2.86Å; R46-F54 PolarHBondContact O-N 2.96Å; R46-E56 WeakPolarHBondContact CD-OE1 3.03Å; R46-E56 VanDerWaalsContact CD-OE2 3.32Å; R46-E56 WeakPolarHBondContact CD-OE2 3.32Å; R46-E56 IonicContact CZ-OE1 3.63Å; R46-E56 IonicContact CZ-OE2 3.61Å; R46-E56 IonicContact NE-OE1 3.62Å; R46-E56 IonicContact NH1-OE1 2.72Å; R46-E56 PolarHBondContact NH1-OE1 2.94Å; R46-E56 IonicContact NH1-OE2 2.66Å; R46-E56 PolarHBondContact NH1-OE2 2.86Å |
| 47 | N | 84.6 | Confident | 86.4 | Confident | 108 Ų | 108 | 70.2 Ų | 70.2 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.9 | 175.7 | -58.5 | -29.9 | 0 | 0 | 0 | 109.9 | K53 | N47-K53 WeakPolarHBondContact OD1-CD 3.38Å; N47-K53 WeakPolarHBondContact OD1-CG 3.42Å |
| 48 | R | 77.6 | Confident | 86.5 | Confident | 180 Ų | 180 | 64.4 Ų | 64.4 | 68% | 0.679 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -102.4 | 165.6 | 169.5 | -152.3 | 170.9 | -176.3 | 179.6 | 0.3 | 110.5 | E50 G51 R52 F54 | R48-E50 PolarHBondContact O-N 2.85Å; R48-G51 PolarHBondContact O-N 2.81Å; R48-R52 PolarHBondContact N-O 2.86Å; R48-F54 HydrophobicContact CB-CD2 4.46Å; R48-F54 HydrophobicContact CB-CE2 4.12Å |
| 49 | S | 64.6 | Low | 86.7 | Confident | 121 Ų | 121 | 62.7 Ų | 62.7 | 85% | 0.846 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -5.5 | -173.4 | 49.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 50 | E | 65.9 | Low | 86.8 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 62% | 0.621 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 16.7 | 175.4 | -62.5 | 176.2 | -165.3 | 0 | 0 | 112.5 | R48 R52 | R48-E50 PolarHBondContact O-N 2.85Å; E50-R52 HydrophobicContact CB-CG 4.25Å; E50-R52 PolarHBondContact O-N 2.9Å; E50-R52 IonicContact OE2-CZ 3.13Å; E50-R52 IonicContact OE2-NE 2.77Å; E50-R52 PolarHBondContact OE2-NE 2.75Å; E50-R52 IonicContact OE2-NH2 2.69Å; E50-R52 PolarHBondContact OE2-NH2 2.99Å |
| 51 | G | 71.6 | Confident | 86.7 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 74.5 | -12.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R48 K53 | R48-G51 PolarHBondContact O-N 2.81Å; G51-K53 WeakPolarHBondContact O-CG 3.25Å; G51-K53 PolarHBondContact O-N 2.84Å |
| 52 | R | 79.9 | Confident | 86.6 | Confident | 126 Ų | 126 | 70.9 Ų | 70.9 | 48% | 0.475 | 36% | 0.358 | S | S | . | . | trans | -59.2 | 131.2 | 175.1 | -54.2 | -172.3 | -155.1 | -147 | 6.2 | 111 | R48 E50 F54 | R48-R52 PolarHBondContact N-O 2.86Å; E50-R52 HydrophobicContact CB-CG 4.25Å; E50-R52 PolarHBondContact O-N 2.9Å; E50-R52 IonicContact OE2-CZ 3.13Å; E50-R52 IonicContact OE2-NE 2.77Å; E50-R52 PolarHBondContact OE2-NE 2.75Å; E50-R52 IonicContact OE2-NH2 2.69Å; E50-R52 PolarHBondContact OE2-NH2 2.99Å; R52-F54 HydrophobicContact CB-CE2 3.75Å; R52-F54 HydrophobicContact CB-CZ 4.18Å | ||
| 53 | K | 85.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 16% | 0.161 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.4 | -179.4 | -46.1 | -162.4 | -169.2 | -166 | 0 | 111.3 | L30 Q31 Y33 T45 R46 N47 G51 | L30-K53 HydrophobicContact CD2-CB 4.16Å; L30-K53 WeakPolarHBondContact O-CD 3.15Å; L30-K53 VanDerWaalsContact O-CE 3.22Å; L30-K53 WeakPolarHBondContact O-CE 3.25Å; Q31-K53 VanDerWaalsContact O-CD 3.25Å; Q31-K53 WeakPolarHBondContact O-CD 3.22Å; Q31-K53 PolarHBondContact O-NZ 2.9Å; Y33-K53 HydrophobicContact CE2-CB 4.36Å; Y33-K53 WeakPolarHBondContact CE2-O 3.39Å; Y33-K53 PolarHBondContact OH-O 3.49Å; T45-K53 HydrophobicContact CG2-CB 3.93Å; T45-K53 HydrophobicContact CG2-CD 4.02Å; R46-K53 WeakPolarHBondContact O-CA 3.32Å; N47-K53 WeakPolarHBondContact OD1-CD 3.38Å; N47-K53 WeakPolarHBondContact OD1-CG 3.42Å; G51-K53 WeakPolarHBondContact O-CG 3.25Å; G51-K53 PolarHBondContact O-N 2.84Å |
| 54 | F | 88.3 | Confident | 86.6 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.4 | -179.3 | -64.7 | -90.4 | 0 | 0 | 0 | 110.8 | M19 R46 R48 R52 | M19-F54 HydrophobicContact CB-CD1 3.91Å; M19-F54 HydrophobicContact CB-CE1 4.12Å; M19-F54 HydrophobicContact CG-CD1 4.32Å; M19-F54 HydrophobicContact CG-CE1 4.02Å; M19-F54 HydrophobicContact SD-CD1 4.33Å; M19-F54 HydrophobicContact SD-CE1 3.61Å; M19-F54 HydrophobicContact SD-CZ 3.82Å; R46-F54 PolarHBondContact N-O 2.86Å; R46-F54 PolarHBondContact O-N 2.96Å; R48-F54 HydrophobicContact CB-CD2 4.46Å; R48-F54 HydrophobicContact CB-CE2 4.12Å; R52-F54 HydrophobicContact CB-CE2 3.75Å; R52-F54 HydrophobicContact CB-CZ 4.18Å |
| 55 | P | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131 | 167.6 | 19.4 | -6.7 | 0 | 0 | 0 | 109.7 | L17 K18 Y33 V43 L75 | L17-P55 HydrophobicContact CB-CB 3.95Å; L17-P55 HydrophobicContact CB-CG 3.73Å; L17-P55 WeakPolarHBondContact CB-O 3.27Å; L17-P55 HydrophobicContact CD1-CB 4.05Å; L17-P55 PolarHBondContact N-O 3.4Å; K18-P55 WeakPolarHBondContact O-CG 3.42Å; Y33-P55 HydrophobicContact CD1-CB 4Å; Y33-P55 HydrophobicContact CD1-CG 3.89Å; Y33-P55 HydrophobicContact CD2-CB 3.72Å; Y33-P55 HydrophobicContact CD2-CG 4Å; Y33-P55 HydrophobicContact CE1-CB 4.27Å; Y33-P55 HydrophobicContact CE1-CG 3.67Å; Y33-P55 HydrophobicContact CE2-CB 4.03Å; Y33-P55 HydrophobicContact CE2-CG 3.81Å; Y33-P55 HydrophobicContact CG-CB 3.69Å; Y33-P55 HydrophobicContact CG-CG 4.03Å; V43-P55 HydrophobicContact CG2-CB 3.86Å; P55-L75 HydrophobicContact CB-CD1 4.34Å; P55-L75 HydrophobicContact CG-CD2 4.29Å |
| 56 | E | 92.8 | Very high | 86.8 | Confident | 28 Ų | 28 | 69 Ų | 69 | 13% | 0.131 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 112.9 | 170.6 | -79.6 | -176.2 | 177.9 | 0 | 0 | 107.7 | I14 V43 L44 R46 | I14-E56 HydrophobicContact CG2-CB 3.68Å; I14-E56 HydrophobicContact CG2-CG 3.97Å; V43-E56 CarbonylContact C-O 3.57Å; V43-E56 WeakPolarHBondContact CA-O 3.4Å; L44-E56 HydrophobicContact CB-CB 4.47Å; L44-E56 PolarHBondContact N-O 3.02Å; L44-E56 PolarHBondContact O-N 2.76Å; R46-E56 WeakPolarHBondContact CD-OE1 3.03Å; R46-E56 VanDerWaalsContact CD-OE2 3.32Å; R46-E56 WeakPolarHBondContact CD-OE2 3.32Å; R46-E56 IonicContact CZ-OE1 3.63Å; R46-E56 IonicContact CZ-OE2 3.61Å; R46-E56 IonicContact NE-OE1 3.62Å; R46-E56 IonicContact NH1-OE1 2.72Å; R46-E56 PolarHBondContact NH1-OE1 2.94Å; R46-E56 IonicContact NH1-OE2 2.66Å; R46-E56 PolarHBondContact NH1-OE2 2.86Å |
| 57 | L | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.4 | 176.6 | -171.9 | 78.1 | 0 | 0 | 0 | 108.3 | L3 I14 F15 L17 I35 F41 L73 I93 | L3-L57 HydrophobicContact CD1-CD2 3.7Å; I14-L57 CarbonylContact C-O 3.51Å; I14-L57 WeakPolarHBondContact CA-O 3.32Å; F15-L57 HydrophobicContact CB-CB 4.29Å; F15-L57 PolarHBondContact N-O 3.09Å; F15-L57 PolarHBondContact O-N 2.87Å; L17-L57 HydrophobicContact CD1-CB 3.86Å; L17-L57 HydrophobicContact CG-CB 4.11Å; I35-L57 HydrophobicContact CD1-CD1 3.85Å; F41-L57 HydrophobicContact CB-CD1 3.98Å; F41-L57 HydrophobicContact CB-CG 4.32Å; F41-L57 HydrophobicContact CD1-CD1 4.31Å; F41-L57 HydrophobicContact CD1-CD2 3.72Å; F41-L57 HydrophobicContact CD1-CG 3.74Å; F41-L57 HydrophobicContact CE1-CD2 3.94Å; F41-L57 HydrophobicContact CE1-CG 4.39Å; F41-L57 HydrophobicContact CG-CD1 4.37Å; F41-L57 HydrophobicContact CG-CD2 4.29Å; F41-L57 HydrophobicContact CG-CG 4.28Å; L57-L73 HydrophobicContact CD1-CD1 4.37Å; L57-I93 HydrophobicContact CD2-CD1 3.96Å |
| 58 | V | 93.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.2 | -177.7 | -173.8 | 0 | 0 | 0 | 0 | 109 | K13 I14 F41 H42 L44 | K13-V58 WeakPolarHBondContact O-CA 3.35Å; I14-V58 HydrophobicContact CG1-CG2 4.23Å; I14-V58 HydrophobicContact CG2-CG2 4.44Å; F41-V58 VanDerWaalsContact CA-O 3.24Å; F41-V58 WeakPolarHBondContact CA-O 3.48Å; H42-V58 PolarHBondContact N-O 3.44Å; H42-V58 VanDerWaalsContact N-O 3.08Å; H42-V58 PolarHBondContact O-N 2.93Å; L44-V58 HydrophobicContact CD1-CG2 3.78Å; L44-V58 HydrophobicContact CG-CG2 3.92Å |
| 59 | L | 95.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.1 | 175.3 | -174.6 | 75.2 | 0 | 0 | 0 | 110 | T9 G12 K13 F15 H40 F41 K61 L63 | T9-L59 HydrophobicContact CG2-CD2 3.58Å; T9-L59 WeakPolarHBondContact O-CD2 3.24Å; G12-L59 PolarHBondContact N-O 2.81Å; K13-L59 PolarHBondContact O-N 2.92Å; F15-L59 HydrophobicContact CE2-CB 4.47Å; H40-L59 HydrophobicContact CB-CD1 4.37Å; H40-L59 CarbonylContact O-C 3.53Å; H40-L59 WeakPolarHBondContact O-CA 3.28Å; F41-L59 HydrophobicContact CD1-CB 4.22Å; F41-L59 HydrophobicContact CD1-CD1 3.89Å; F41-L59 HydrophobicContact CE1-CB 4.03Å; F41-L59 HydrophobicContact CE1-CD1 3.37Å; F41-L59 HydrophobicContact CE1-CG 4.31Å; F41-L59 HydrophobicContact CE2-CD1 4.03Å; F41-L59 HydrophobicContact CG-CD1 4.44Å; F41-L59 HydrophobicContact CZ-CD1 3.44Å; F41-L59 VanDerWaalsContact CZ-CD1 3.44Å; L59-K61 WeakPolarHBondContact CD1-O 3.5Å; L59-K61 WeakPolarHBondContact CG-O 3.19Å; L59-L63 HydrophobicContact CD1-CD1 4.29Å; L59-L63 HydrophobicContact CD1-CD2 3.78Å; L59-L63 HydrophobicContact CD1-CG 3.85Å |
| 60 | D | 92.4 | Very high | 89.4 | Confident | 78 Ų | 78 | 60 Ų | 60 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | trans | -99.3 | -28.2 | -177.9 | -69.2 | -51.8 | 0 | 0 | 0 | 113.9 | H40 H42 | H40-D60 PolarHBondContact O-N 2.78Å; H42-D60 IonicContact CE1-OD1 3.69Å; H42-D60 PolarHBondContact CE1-OD1 3.29Å; H42-D60 IonicContact CE1-OD2 3.29Å; H42-D60 IonicContact CG-OD2 3.78Å; H42-D60 PolarHBondContact N-OD2 2.97Å; H42-D60 IonicContact ND1-OD1 3.91Å; H42-D60 PolarHBondContact ND1-OD1 2.97Å; H42-D60 IonicContact ND1-OD2 2.71Å; H42-D60 PolarHBondContact ND1-OD2 2.89Å | ||
| 61 | K | 92.7 | Very high | 90.7 | Very high | 111 Ų | 111 | 54 Ų | 54 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -128.9 | 157.9 | 177.9 | -67.1 | -167 | -172.8 | -176.1 | 0 | 109.6 | P39 L59 | P39-K61 WeakPolarHBondContact O-CD 3.49Å; P39-K61 WeakPolarHBondContact O-CE 3.38Å; P39-K61 WeakPolarHBondContact O-CG 3.41Å; L59-K61 WeakPolarHBondContact CD1-O 3.5Å; L59-K61 WeakPolarHBondContact CG-O 3.19Å |
| 62 | P | 92.5 | Very high | 91.8 | Very high | 82 Ų | 82 | 58.2 Ų | 58.2 | 53% | 0.532 | 28% | 0.275 | S | S | . | . | trans | -52.8 | 159.1 | 165.5 | 25.4 | -35.5 | 0 | 0 | 0 | 111.3 | H40 | H40-P62 PolarHBondContact ND1-O 2.93Š| ||
| 63 | L | 93.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | trans | -98.8 | 164.8 | 163.4 | -55.4 | 172.1 | 0 | 0 | 0 | 108 | I5 E7 H40 F41 L59 L71 V95 | I5-L63 HydrophobicContact CB-CD1 4.05Å; I5-L63 HydrophobicContact CG2-CD1 3.62Å; E7-L63 HydrophobicContact CB-CB 4.14Å; E7-L63 VanDerWaalsContact CB-O 3.32Å; E7-L63 WeakPolarHBondContact CB-O 3.43Å; H40-L63 HydrophobicContact CB-CD2 3.92Å; F41-L63 HydrophobicContact CE2-CD2 3.82Å; F41-L63 HydrophobicContact CZ-CD1 4.2Å; F41-L63 HydrophobicContact CZ-CD2 3.95Å; L59-L63 HydrophobicContact CD1-CD1 4.29Å; L59-L63 HydrophobicContact CD1-CD2 3.78Å; L59-L63 HydrophobicContact CD1-CG 3.85Å; L63-L71 HydrophobicContact CD2-CD1 4.38Å; L63-V95 HydrophobicContact CB-CG1 4.2Å; L63-V95 HydrophobicContact CD1-CG1 4.42Å; L63-V95 HydrophobicContact CD1-CG2 4.31Å | ||
| 64 | D | 92.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | trans | -152.3 | 114.8 | -179.1 | 175.2 | -36.4 | 0 | 0 | 0 | 104.3 | E66 E67 Q68 | D64-E66 VanDerWaalsContact C-N 3.34Å; D64-E66 WeakPolarHBondContact OD1-CB 3.48Å; D64-E66 PolarHBondContact OD1-N 3.13Å; D64-E67 HydrophobicContact CB-CB 4.11Å; D64-E67 WeakPolarHBondContact OD1-CB 3.47Å; D64-E67 PolarHBondContact OD1-N 3.14Å; D64-Q68 CarbonylContact O-C 3.54Å; D64-Q68 PolarHBondContact O-N 2.95Å | ||
| 65 | R | 93.3 | Very high | 93.1 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -20.8 | -176.2 | -169.5 | -156.9 | 64.9 | 42.4 | -8.9 | 111.3 | E7 P69 V95 D97 L132 | E7-R65 WeakPolarHBondContact OE2-CA 3.38Å; E7-R65 WeakPolarHBondContact OE2-CB 3.43Å; E7-R65 PolarHBondContact OE2-N 3.18Å; R65-P69 HydrophobicContact CG-CB 3.74Å; R65-P69 VanDerWaalsContact O-CD 3.27Å; R65-P69 WeakPolarHBondContact O-CD 3.37Å; R65-V95 HydrophobicContact CB-CB 4.17Å; R65-V95 HydrophobicContact CB-CG1 3.85Å; R65-V95 HydrophobicContact CG-CB 4.12Å; R65-V95 HydrophobicContact CG-CG1 4.29Å; R65-D97 IonicContact CZ-OD1 3.66Å; R65-D97 IonicContact NE-OD1 3.93Å; R65-D97 PolarHBondContact NE-OD1 2.96Å; R65-D97 IonicContact NH2-OD1 2.76Å; R65-D97 PolarHBondContact NH2-OD1 3.33Å; R65-D97 VanDerWaalsContact NH2-OD1 3.09Å; R65-L132 PolarHBondContact NH2-O 2.88Å |
| 66 | E | 93.4 | Very high | 93.1 | Very high | 60 Ų | 60 | 54 Ų | 54 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -40.9 | 178.3 | -69.1 | 50.2 | -107.5 | 0 | 0 | 109.2 | D64 L132 | D64-E66 VanDerWaalsContact C-N 3.34Å; D64-E66 WeakPolarHBondContact OD1-CB 3.48Å; D64-E66 PolarHBondContact OD1-N 3.13Å; E66-L132 HydrophobicContact CG-CB 3.89Å |
| 67 | E | 91.4 | Very high | 93 | Very high | 149 Ų | 149 | 53.2 Ų | 53.2 | 70% | 0.696 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -54.1 | 169.2 | -174 | -180 | -144 | 0 | 0 | 111.4 | D64 | D64-E67 HydrophobicContact CB-CB 4.11Å; D64-E67 WeakPolarHBondContact OD1-CB 3.47Å; D64-E67 PolarHBondContact OD1-N 3.14Å |
| 68 | Q | 91.9 | Very high | 92.9 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 38% | 0.379 | 27% | 0.274 | S | S | . | . | trans | -144.3 | 92.6 | -176.7 | -168.7 | 166.4 | 4.9 | 0 | 0 | 114.8 | D64 Q70 L71 V95 | D64-Q68 CarbonylContact O-C 3.54Å; D64-Q68 PolarHBondContact O-N 2.95Å; Q68-Q70 WeakPolarHBondContact CG-O 3.4Å; Q68-Q70 PolarHBondContact NE2-O 3.49Å; Q68-Q70 PolarHBondContact O-N 2.85Å; Q68-Q70 VanDerWaalsContact O-N 3.14Å; Q68-L71 HydrophobicContact CG-CD1 4.37Å; Q68-L71 HydrophobicContact CG-CG 4.21Å; Q68-V95 WeakPolarHBondContact O-CG2 3.33Å | ||
| 69 | P | 92.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 47% | 0.468 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -68.5 | -17.9 | -177.7 | 26.8 | -35.2 | 0 | 0 | 0 | 114.6 | R65 V95 | R65-P69 HydrophobicContact CG-CB 3.74Å; R65-P69 VanDerWaalsContact O-CD 3.27Å; R65-P69 WeakPolarHBondContact O-CD 3.37Å; P69-V95 PolarHBondContact O-N 2.88Å |
| 70 | Q | 93.4 | Very high | 92.2 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 129.1 | 178.8 | -159.2 | -163.1 | -89.3 | 0 | 0 | 112.8 | Q68 Q92 I93 | Q68-Q70 WeakPolarHBondContact CG-O 3.4Å; Q68-Q70 PolarHBondContact NE2-O 3.49Å; Q68-Q70 PolarHBondContact O-N 2.85Å; Q68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-Q92 HydrophobicContact CG-CG 4.19Å; Q70-I93 WeakPolarHBondContact CA-O 3.24Å; Q70-I93 WeakPolarHBondContact CG-O 3.37Å |
| 71 | L | 93.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.9 | 170.8 | -58 | 87.6 | 0 | 0 | 0 | 110.4 | F41 L63 Q68 I93 V95 | F41-L71 HydrophobicContact CE2-CD2 4.27Å; L63-L71 HydrophobicContact CD2-CD1 4.38Å; Q68-L71 HydrophobicContact CG-CD1 4.37Å; Q68-L71 HydrophobicContact CG-CG 4.21Å; L71-I93 HydrophobicContact CB-CB 4.25Å; L71-I93 PolarHBondContact N-O 3.11Å; L71-I93 PolarHBondContact O-N 3.07Å; L71-V95 HydrophobicContact CD1-CG2 3.9Å |
| 72 | R | 93.9 | Very high | 91.2 | Very high | 146 Ų | 146 | 55.1 Ų | 55.1 | 55% | 0.551 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 115.8 | 171.8 | -69.1 | 178.1 | -179.6 | -88.1 | 0.3 | 108.5 | E90 I91 | R72-E90 WeakPolarHBondContact CD-OE1 3.2Å; R72-E90 IonicContact CZ-OE1 3.17Å; R72-E90 IonicContact NE-OE1 2.72Å; R72-E90 VanDerWaalsContact NH1-CD 3.34Å; R72-E90 IonicContact NH1-OE1 2.71Å; R72-E90 PolarHBondContact NH1-OE1 3.43Å; R72-E90 IonicContact NH1-OE2 2.84Å; R72-E90 PolarHBondContact NH1-OE2 2.94Å; R72-I91 WeakPolarHBondContact CA-O 3.06Å |
| 73 | L | 93.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.6 | 179.7 | -53.3 | 178.3 | 0 | 0 | 0 | 109.8 | I35 S36 N38 F41 L57 I91 I93 | I35-L73 HydrophobicContact CD1-CD1 4.25Å; S36-L73 WeakPolarHBondContact OG-CA 3.24Å; N38-L73 HydrophobicContact CB-CD2 3.58Å; F41-L73 HydrophobicContact CB-CD1 4.14Å; F41-L73 HydrophobicContact CD2-CD1 3.95Å; F41-L73 HydrophobicContact CG-CD1 4.23Å; L57-L73 HydrophobicContact CD1-CD1 4.37Å; L73-I91 HydrophobicContact CB-CB 4.36Å; L73-I91 PolarHBondContact N-O 2.96Å; L73-I91 PolarHBondContact O-N 2.88Å; L73-I93 HydrophobicContact CD1-CD1 3.73Å; L73-I93 HydrophobicContact CG-CD1 4.38Å |
| 74 | T | 93.7 | Very high | 90.5 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 111 | 173.2 | -58 | 0 | 0 | 0 | 0 | 109.2 | I35 S36 I76 T88 | I35-T74 CarbonylContact C-O 3.53Å; I35-T74 VanDerWaalsContact CA-O 3.28Å; I35-T74 WeakPolarHBondContact CA-O 3.5Å; S36-T74 PolarHBondContact N-O 3.08Å; S36-T74 PolarHBondContact OG-N 3.05Å; T74-I76 HydrophobicContact CG2-CG1 4.17Å; T74-T88 HydrophobicContact CG2-CG2 4.26Å |
| 75 | L | 93.6 | Very high | 90.3 | Very high | 16 Ų | 16 | 66.2 Ų | 66.2 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 130.7 | 168 | -176.3 | 69.5 | 0 | 0 | 0 | 109.4 | L17 Y33 I35 V43 P55 T88 S89 I91 | L17-L75 HydrophobicContact CD1-CD1 4.27Å; L17-L75 HydrophobicContact CD1-CD2 4.28Å; Y33-L75 HydrophobicContact CD1-CD1 4.3Å; Y33-L75 HydrophobicContact CD1-CG 4.46Å; I35-L75 HydrophobicContact CG2-CB 4.4Å; I35-L75 HydrophobicContact CG2-CD1 3.69Å; V43-L75 HydrophobicContact CG2-CD1 4.29Å; P55-L75 HydrophobicContact CB-CD1 4.34Å; P55-L75 HydrophobicContact CG-CD2 4.29Å; L75-T88 CarbonylContact O-C 3.59Å; L75-T88 VanDerWaalsContact O-CA 3.28Å; L75-T88 WeakPolarHBondContact O-CA 3.27Å; L75-S89 WeakPolarHBondContact CB-O 3.33Å; L75-S89 PolarHBondContact N-O 3.05Å; L75-S89 PolarHBondContact O-N 3.3Å; L75-I91 HydrophobicContact CB-CD1 3.97Å; L75-I91 HydrophobicContact CB-CG1 4.16Å |
| 76 | I | 92.5 | Very high | 90.2 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113.6 | 178.9 | -46.7 | -178.8 | 0 | 0 | 0 | 107.8 | Y33 T34 T74 L78 T88 | Y33-I76 CarbonylContact C-O 3.52Å; Y33-I76 WeakPolarHBondContact CA-O 3.47Å; T34-I76 PolarHBondContact N-O 2.9Å; T34-I76 PolarHBondContact O-N 3.04Å; T74-I76 HydrophobicContact CG2-CG1 4.17Å; I76-L78 HydrophobicContact CG2-CD2 4.44Å; I76-L78 HydrophobicContact CG2-CG 4.22Å; I76-T88 HydrophobicContact CG1-CG2 4.34Å; I76-T88 HydrophobicContact CG2-CG2 4.45Å |
| 77 | A | 91.4 | Very high | 90 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 136.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | A20 L30 Y33 S86 G87 | A20-A77 HydrophobicContact CB-CB 3.7Å; L30-A77 HydrophobicContact CD1-CB 3.84Å; Y33-A77 HydrophobicContact CD1-CB 3.89Å; Y33-A77 HydrophobicContact CE1-CB 3.84Å; A77-S86 CarbonylContact O-C 3.58Å; A77-S86 WeakPolarHBondContact O-CA 3.4Å; A77-S86 WeakPolarHBondContact O-CB 3.14Å; A77-G87 PolarHBondContact N-O 2.63Å; A77-G87 PolarHBondContact O-N 3.02Å |
| 78 | L | 90.8 | Very high | 90.1 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134 | -179.6 | -74.2 | 162.6 | 0 | 0 | 0 | 110.4 | Q31 R32 T34 I76 | Q31-L78 PolarHBondContact N-O 2.82Å; R32-L78 HydrophobicContact CG-CB 3.97Å; R32-L78 HydrophobicContact CG-CD1 4.13Å; R32-L78 PolarHBondContact N-O 2.78Å; R32-L78 PolarHBondContact O-N 3.19Å; T34-L78 HydrophobicContact CG2-CD1 4.47Å; I76-L78 HydrophobicContact CG2-CD2 4.44Å; I76-L78 HydrophobicContact CG2-CG 4.22Å |
| 79 | D | 88.9 | Confident | 90.1 | Very high | 26 Ų | 26 | 64.3 Ų | 64.3 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | trans | -76.8 | -170.8 | 169.2 | 73.5 | 20.8 | 0 | 0 | 0 | 112 | N28 G81 P84 R85 | N28-D79 WeakPolarHBondContact O-CB 3.28Å; D79-G81 PolarHBondContact OD1-N 3.25Å; D79-P84 WeakPolarHBondContact OD1-CA 3.32Å; D79-P84 VanDerWaalsContact OD1-CB 3.27Å; D79-P84 WeakPolarHBondContact OD1-CB 3.22Å; D79-R85 PolarHBondContact N-O 3.43Å; D79-R85 PolarHBondContact OD1-N 2.94Å; D79-R85 WeakPolarHBondContact OD2-CA 3.15Å; D79-R85 WeakPolarHBondContact OD2-CB 3.45Å; D79-R85 PolarHBondContact OD2-N 2.79Å | ||
| 80 | G | 84.6 | Confident | 90.1 | Very high | 36 Ų | 36 | 65 Ų | 65 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | trans | -116.8 | 24.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S27 Q31 | S27-G80 CarbonylContact O-C 3.6Å; S27-G80 WeakPolarHBondContact O-CA 3.45Å; S27-G80 PolarHBondContact O-N 2.9Å; Q31-G80 VanDerWaalsContact CG-CA 3.5Å | ||
| 81 | G | 82.5 | Confident | 90.1 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | trans | -71.7 | 170 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D79 P83 P84 | D79-G81 PolarHBondContact OD1-N 3.25Å; G81-P83 CarbonylContact C-O 3.51Å; G81-P83 CarbonylContact O-C 3.23Å; G81-P84 WeakPolarHBondContact O-CA 3.28Å | ||
| 82 | S | 82.2 | Confident | 90.2 | Very high | 127 Ų | 127 | 64.4 Ų | 64.4 | 89% | 0.888 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -136.8 | 103.5 | 170.5 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 83 | P | 84.9 | Confident | 90.2 | Very high | 115 Ų | 115 | 57.4 Ų | 57.4 | 75% | 0.747 | 35% | 0.349 | S | S | * | . | S | Bend | cis | -67 | 149.2 | -2.5 | 31 | -36.4 | 0 | 0 | 0 | 112.5 | G81 | G81-P83 CarbonylContact C-O 3.51Å; G81-P83 CarbonylContact O-C 3.23Å |
| 84 | P | 85.4 | Confident | 90.2 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 147.2 | 177.8 | 31.2 | -35.1 | 0 | 0 | 0 | 111.7 | D79 G81 | D79-P84 WeakPolarHBondContact OD1-CA 3.32Å; D79-P84 VanDerWaalsContact OD1-CB 3.27Å; D79-P84 WeakPolarHBondContact OD1-CB 3.22Å; G81-P84 WeakPolarHBondContact O-CA 3.28Å |
| 85 | R | 89.1 | Confident | 90.2 | Very high | 198 Ų | 198 | 58 Ų | 58 | 75% | 0.747 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -104 | 161.4 | 171.2 | -58.2 | 177.8 | 161.6 | 179.6 | -5.7 | 111.1 | D79 | D79-R85 PolarHBondContact N-O 3.43Å; D79-R85 PolarHBondContact OD1-N 2.94Å; D79-R85 WeakPolarHBondContact OD2-CA 3.15Å; D79-R85 WeakPolarHBondContact OD2-CB 3.45Å; D79-R85 PolarHBondContact OD2-N 2.79Å |
| 86 | S | 90.9 | Very high | 90.2 | Very high | 78 Ų | 78 | 60.5 Ų | 60.5 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 150.4 | 178 | 62 | 0 | 0 | 0 | 0 | 112.8 | A77 | A77-S86 CarbonylContact O-C 3.58Å; A77-S86 WeakPolarHBondContact O-CA 3.4Å; A77-S86 WeakPolarHBondContact O-CB 3.14Å |
| 87 | G | 90.4 | Very high | 90.2 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A77 | A77-G87 PolarHBondContact N-O 2.63Å; A77-G87 PolarHBondContact O-N 3.02Å |
| 88 | T | 92.6 | Very high | 90.2 | Very high | 101 Ų | 101 | 60.8 Ų | 60.8 | 62% | 0.62 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.4 | -176.1 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | T74 L75 I76 | T74-T88 HydrophobicContact CG2-CG2 4.26Å; L75-T88 CarbonylContact O-C 3.59Å; L75-T88 VanDerWaalsContact O-CA 3.28Å; L75-T88 WeakPolarHBondContact O-CA 3.27Å; I76-T88 HydrophobicContact CG1-CG2 4.34Å; I76-T88 HydrophobicContact CG2-CG2 4.45Å |
| 89 | S | 91.8 | Very high | 90.3 | Very high | 61 Ų | 61 | 61 Ų | 61 | 43% | 0.427 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 130.5 | 175 | -172 | 0 | 0 | 0 | 0 | 110.3 | L75 | L75-S89 WeakPolarHBondContact CB-O 3.33Å; L75-S89 PolarHBondContact N-O 3.05Å; L75-S89 PolarHBondContact O-N 3.3Å |
| 90 | E | 93.4 | Very high | 90.4 | Very high | 87 Ų | 87 | 64.3 Ų | 64.3 | 41% | 0.407 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.3 | 174.7 | -172.8 | -177.4 | -141.3 | 0 | 0 | 110.3 | M1 R72 | M1-E90 PolarHBondContact N-O 3.09Å; R72-E90 WeakPolarHBondContact CD-OE1 3.2Å; R72-E90 IonicContact CZ-OE1 3.17Å; R72-E90 IonicContact NE-OE1 2.72Å; R72-E90 VanDerWaalsContact NH1-CD 3.34Å; R72-E90 IonicContact NH1-OE1 2.71Å; R72-E90 PolarHBondContact NH1-OE1 3.43Å; R72-E90 IonicContact NH1-OE2 2.84Å; R72-E90 PolarHBondContact NH1-OE2 2.94Å |
| 91 | I | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 111.5 | 162.5 | -52.8 | 173.3 | 0 | 0 | 0 | 106.8 | M1 L3 L17 R72 L73 L75 I93 | M1-I91 CarbonylContact O-C 3.52Å; M1-I91 WeakPolarHBondContact O-CA 3.37Å; L3-I91 HydrophobicContact CD1-CG2 3.91Å; L3-I91 HydrophobicContact CG-CG2 4.17Å; L17-I91 HydrophobicContact CD1-CD1 3.57Å; L17-I91 HydrophobicContact CD2-CD1 3.99Å; L17-I91 HydrophobicContact CG-CD1 4.45Å; R72-I91 WeakPolarHBondContact CA-O 3.06Å; L73-I91 HydrophobicContact CB-CB 4.36Å; L73-I91 PolarHBondContact N-O 2.96Å; L73-I91 PolarHBondContact O-N 2.88Å; L75-I91 HydrophobicContact CB-CD1 3.97Å; L75-I91 HydrophobicContact CB-CG1 4.16Å; I91-I93 HydrophobicContact CG2-CD1 4.4Å; I91-I93 HydrophobicContact CG2-CG1 3.82Å |
| 92 | Q | 94 | Very high | 91.3 | Very high | 59 Ų | 59 | 67.3 Ų | 67.3 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.3 | 166.9 | -175 | 179.6 | 3.6 | 0 | 0 | 106.8 | M1 L2 L3 Q70 | M1-Q92 PolarHBondContact O-N 3.09Å; L2-Q92 CarbonylContact C-O 3.36Å; L2-Q92 WeakPolarHBondContact CA-O 3.2Å; L2-Q92 HydrophobicContact CD1-CB 4.1Å; L2-Q92 HydrophobicContact CD1-CG 3.9Å; L3-Q92 PolarHBondContact N-O 2.79Å; Q70-Q92 HydrophobicContact CG-CG 4.19Å |
| 93 | I | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 113.9 | 174 | -54.5 | -178.2 | 0 | 0 | 0 | 106.6 | L3 I5 F41 L57 Q70 L71 L73 I91 | L3-I93 HydrophobicContact CB-CG1 4.39Å; L3-I93 HydrophobicContact CD1-CG1 4.48Å; I5-I93 HydrophobicContact CB-CG2 4.4Å; I5-I93 HydrophobicContact CD1-CG2 3.82Å; I5-I93 HydrophobicContact CG1-CG2 4.15Å; F41-I93 HydrophobicContact CD2-CD1 3.9Å; F41-I93 HydrophobicContact CE1-CD1 4.17Å; F41-I93 HydrophobicContact CE2-CD1 3.43Å; F41-I93 VanDerWaalsContact CE2-CD1 3.43Å; F41-I93 HydrophobicContact CG-CD1 4.46Å; F41-I93 HydrophobicContact CZ-CD1 3.58Å; F41-I93 HydrophobicContact CZ-CG2 4.41Å; L57-I93 HydrophobicContact CD2-CD1 3.96Å; Q70-I93 WeakPolarHBondContact CA-O 3.24Å; Q70-I93 WeakPolarHBondContact CG-O 3.37Å; L71-I93 HydrophobicContact CB-CB 4.25Å; L71-I93 PolarHBondContact N-O 3.11Å; L71-I93 PolarHBondContact O-N 3.07Å; L73-I93 HydrophobicContact CD1-CD1 3.73Å; L73-I93 HydrophobicContact CG-CD1 4.38Å; I91-I93 HydrophobicContact CG2-CD1 4.4Å; I91-I93 HydrophobicContact CG2-CG1 3.82Å |
| 94 | Q | 93.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 63 Ų | 63 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122 | 166 | 177.6 | 175.1 | 25.2 | 0 | 0 | 107.6 | L2 L3 K4 I5 | L2-Q94 HydrophobicContact CD1-CB 4.24Å; L3-Q94 PolarHBondContact O-N 2.69Å; K4-Q94 WeakPolarHBondContact CA-O 2.93Å; K4-Q94 HydrophobicContact CG-CB 4.38Å; I5-Q94 PolarHBondContact N-O 2.83Å; I5-Q94 VanDerWaalsContact N-O 3.09Å |
| 95 | V | 93.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 140.3 | 170.4 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | I5 E7 L63 R65 Q68 P69 L71 | I5-V95 CarbonylContact O-C 3.52Å; I5-V95 VanDerWaalsContact O-CA 3.24Å; I5-V95 WeakPolarHBondContact O-CA 3.47Å; E7-V95 HydrophobicContact CB-CG1 4.32Å; L63-V95 HydrophobicContact CB-CG1 4.2Å; L63-V95 HydrophobicContact CD1-CG1 4.42Å; L63-V95 HydrophobicContact CD1-CG2 4.31Å; R65-V95 HydrophobicContact CB-CB 4.17Å; R65-V95 HydrophobicContact CB-CG1 3.85Å; R65-V95 HydrophobicContact CG-CB 4.12Å; R65-V95 HydrophobicContact CG-CG1 4.29Å; Q68-V95 WeakPolarHBondContact O-CG2 3.33Å; P69-V95 PolarHBondContact O-N 2.88Å; L71-V95 HydrophobicContact CD1-CG2 3.9Å |
| 96 | L | 92.9 | Very high | 93.1 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 97.8 | 179.4 | -70.5 | -173.2 | 0 | 0 | 0 | 110.9 | K4 I5 S6 | K4-L96 HydrophobicContact CB-CD1 3.83Å; K4-L96 HydrophobicContact CB-CD2 4.19Å; K4-L96 HydrophobicContact CB-CG 3.93Å; K4-L96 HydrophobicContact CD-CD2 4.23Å; K4-L96 HydrophobicContact CG-CD2 4.38Å; I5-L96 PolarHBondContact O-N 2.76Å; S6-L96 VanDerWaalsContact CA-O 3.22Å; S6-L96 WeakPolarHBondContact CA-O 3.32Å; S6-L96 VanDerWaalsContact CB-O 3.28Å; S6-L96 WeakPolarHBondContact CB-O 3.2Å; S6-L96 PolarHBondContact OG-O 2.76Å |
| 97 | D | 92.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | trans | -21.1 | 130.4 | 162.7 | -161.9 | 58.6 | 0 | 0 | 0 | 114.3 | E7 R65 A134 F137 | E7-D97 VanDerWaalsContact OE1-CA 3.32Å; E7-D97 WeakPolarHBondContact OE1-CA 3.12Å; E7-D97 PolarHBondContact OE1-N 2.78Å; R65-D97 IonicContact CZ-OD1 3.66Å; R65-D97 IonicContact NE-OD1 3.93Å; R65-D97 PolarHBondContact NE-OD1 2.96Å; R65-D97 IonicContact NH2-OD1 2.76Å; R65-D97 PolarHBondContact NH2-OD1 3.33Å; R65-D97 VanDerWaalsContact NH2-OD1 3.09Å; D97-A134 HydrophobicContact CB-CB 4.38Å; D97-A134 WeakPolarHBondContact OD1-CB 3.47Å; D97-A134 PolarHBondContact OD1-N 2.77Å; D97-A134 WeakPolarHBondContact OD2-CA 3.2Å; D97-A134 WeakPolarHBondContact OD2-CB 3.43Å; D97-A134 PolarHBondContact OD2-N 2.83Å; D97-A134 VanDerWaalsContact OD2-O 3.07Å; D97-F137 WeakPolarHBondContact OD2-CD2 3.48Å | ||
| 98 | I | 92.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | trans | -115.3 | -175.9 | 167 | 62.3 | -179.2 | 0 | 0 | 0 | 108.5 | S6 E7 I8 D100 F137 | S6-I98 WeakPolarHBondContact OG-CG2 3.33Å; E7-I98 HydrophobicContact CG-CD1 3.49Å; E7-I98 VanDerWaalsContact CG-CD1 3.49Å; E7-I98 HydrophobicContact CG-CG1 3.73Å; E7-I98 HydrophobicContact CG-CG2 4.32Å; E7-I98 PolarHBondContact OE1-N 3.31Å; I8-I98 HydrophobicContact CG1-CG2 4.26Å; I8-I98 HydrophobicContact CG2-CD1 3.48Å; I8-I98 VanDerWaalsContact CG2-CD1 3.48Å; I8-I98 HydrophobicContact CG2-CG2 4.36Å; I98-D100 HydrophobicContact CD1-CB 3.74Å; I98-D100 WeakPolarHBondContact CD1-OD1 3.37Å; I98-D100 HydrophobicContact CG1-CB 3.99Å; I98-D100 VanDerWaalsContact CG1-OD1 3.3Å; I98-D100 WeakPolarHBondContact CG1-OD1 3.44Å; I98-F137 VanDerWaalsContact C-CD2 3.49Å; I98-F137 WeakPolarHBondContact O-CD2 3.37Å | ||
| 99 | N | 92.5 | Very high | 93.4 | Very high | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -113 | 87.7 | 170.7 | -158.9 | 126.5 | 0 | 0 | 0 | 107.5 | D133 F137 D185 G187 L189 | N99-D133 WeakPolarHBondContact CA-OD2 3.46Å; N99-F137 HydrophobicContact CB-CB 4.09Å; N99-F137 HydrophobicContact CB-CD1 3.77Å; N99-F137 HydrophobicContact CB-CD2 4.07Å; N99-F137 HydrophobicContact CB-CE1 4.17Å; N99-F137 HydrophobicContact CB-CE2 4.44Å; N99-F137 HydrophobicContact CB-CG 3.71Å; N99-F137 HydrophobicContact CB-CZ 4.49Å; N99-F137 VanDerWaalsContact OD1-CB 3.26Å; N99-F137 WeakPolarHBondContact OD1-CB 3.19Å; N99-F137 WeakPolarHBondContact OD1-CD1 3.44Å; N99-F137 VanDerWaalsContact OD1-CG 3.32Å; N99-F137 WeakPolarHBondContact OD1-CG 3.13Å; N99-D185 PolarHBondContact ND2-OD2 2.91Å; N99-D185 PolarHBondContact OD1-OD1 3.11Å; N99-G187 VanDerWaalsContact OD1-CA 3.23Å; N99-G187 WeakPolarHBondContact OD1-CA 3.34Å; N99-G187 PolarHBondContact OD1-N 2.89Å; N99-L189 WeakPolarHBondContact ND2-CD1 3.38Å |
| 100 | D | 91.1 | Very high | 93.6 | Very high | 96 Ų | 96 | 59.7 Ų | 59.7 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | trans | -133.3 | -7.6 | -178.3 | 79.9 | -40.1 | 0 | 0 | 0 | 115.3 | I98 D133 | I98-D100 HydrophobicContact CD1-CB 3.74Å; I98-D100 WeakPolarHBondContact CD1-OD1 3.37Å; I98-D100 HydrophobicContact CG1-CB 3.99Å; I98-D100 VanDerWaalsContact CG1-OD1 3.3Å; I98-D100 WeakPolarHBondContact CG1-OD1 3.44Å; D100-D133 PolarHBondContact N-OD2 3.09Å; D100-D133 VanDerWaalsContact N-OD2 3.08Å | ||
| 101 | N | 92.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -81.9 | 173.2 | 156 | -65.8 | -85.5 | 0 | 0 | 0 | 110 | L132 D133 L189 | N101-L132 HydrophobicContact CB-CB 4.24Å; N101-D133 WeakPolarHBondContact CB-OD1 3.38Å; N101-D133 PolarHBondContact N-OD1 2.96Å; N101-D133 PolarHBondContact N-OD2 2.92Å; N101-D133 PolarHBondContact ND2-OD1 2.93Å; N101-L189 WeakPolarHBondContact O-CD1 3.3Å |
| 102 | V | 94.1 | Very high | 93.8 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | trans | -133.7 | 155.1 | 174.7 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | E104 D131 L189 | V102-E104 PolarHBondContact O-N 2.93Å; V102-D131 VanDerWaalsContact C-OD2 3.31Å; V102-L189 HydrophobicContact CG1-CB 3.85Å; V102-L189 HydrophobicContact CG1-CD1 3.94Å | ||
| 103 | P | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | trans | -62.9 | 105.5 | 177.2 | -27 | 36.9 | 0 | 0 | 0 | 113 | A129 D131 V140 A183 D185 G191 | P103-A129 HydrophobicContact CB-CB 4.11Å; P103-D131 VanDerWaalsContact CD-OD2 3.29Å; P103-D131 WeakPolarHBondContact CD-OD2 3.31Å; P103-D131 WeakPolarHBondContact CG-OD2 3.31Å; P103-V140 HydrophobicContact CB-CG1 4.24Å; P103-V140 HydrophobicContact CB-CG2 3.92Å; P103-V140 HydrophobicContact CG-CG2 4.1Å; P103-A183 HydrophobicContact CB-CB 3.76Å; P103-A183 WeakPolarHBondContact CG-O 3.47Å; P103-D185 HydrophobicContact CG-CB 3.91Å; P103-G191 WeakPolarHBondContact O-CA 3.17Å | ||
| 104 | E | 95.3 | Very high | 94 | Very high | 152 Ų | 152 | 64.4 Ų | 64.4 | 71% | 0.71 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.1 | 178.3 | -173.6 | 179 | -143.9 | 0 | 0 | 110.4 | V102 A129 R130 | V102-E104 PolarHBondContact O-N 2.93Å; E104-A129 CarbonylContact O-C 3.55Å; E104-A129 WeakPolarHBondContact O-CA 3.11Å; E104-R130 PolarHBondContact N-O 3.47Å; E104-R130 PolarHBondContact O-N 2.73Å |
| 105 | F | 95.5 | Very high | 94 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 9% | 0.088 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 143.9 | 173.5 | -81 | -82 | 0 | 0 | 0 | 111.8 | Q107 Y110 V127 A129 Y142 V181 A183 C193 | F105-Q107 WeakPolarHBondContact CB-O 3.27Å; F105-Q107 PolarHBondContact O-N 3.21Å; F105-Q107 VanDerWaalsContact O-N 3.14Å; F105-Y110 HydrophobicContact CD1-CE2 4.18Å; F105-V127 HydrophobicContact CD1-CB 4.35Å; F105-V127 HydrophobicContact CE1-CB 3.97Å; F105-V127 HydrophobicContact CE1-CG2 3.97Å; F105-A129 HydrophobicContact CD1-CB 3.78Å; F105-A129 HydrophobicContact CD2-CB 4.19Å; F105-A129 HydrophobicContact CE1-CB 3.97Å; F105-A129 HydrophobicContact CE2-CB 4.38Å; F105-A129 HydrophobicContact CG-CB 3.9Å; F105-A129 HydrophobicContact CZ-CB 4.29Å; F105-Y142 HydrophobicContact CE1-CD1 4.16Å; F105-Y142 AromaticContact CE1-CE1 3.99Å; F105-Y142 HydrophobicContact CE1-CE1 3.99Å; F105-Y142 HydrophobicContact CZ-CD1 4.28Å; F105-Y142 HydrophobicContact CZ-CE1 4.42Å; F105-V181 HydrophobicContact CZ-CB 4.35Å; F105-V181 HydrophobicContact CZ-CG1 4.15Å; F105-A183 HydrophobicContact CD2-CB 4.31Å; F105-A183 HydrophobicContact CE1-CB 4.18Å; F105-A183 HydrophobicContact CE2-CB 3.46Å; F105-A183 VanDerWaalsContact CE2-CB 3.46Å; F105-A183 HydrophobicContact CZ-CB 3.4Å; F105-C193 HydrophobicContact CB-CB 3.97Å; F105-C193 HydrophobicContact CD1-CB 4.21Å; F105-C193 WeakPolarHBondContact CD1-SG 3.36Å; F105-C193 HydrophobicContact CD2-CB 3.82Å; F105-C193 VanDerWaalsContact CE1-SG 3.51Å; F105-C193 HydrophobicContact CE2-CB 4.31Å; F105-C193 HydrophobicContact CG-CB 3.75Å |
| 106 | A | 93.4 | Very high | 94.1 | Very high | 80 Ų | 80 | 63.5 Ų | 63.5 | 66% | 0.661 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -65.8 | -14.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S128 | A106-S128 PolarHBondContact N-O 2.96Š|
| 107 | Q | 93.8 | Very high | 94.1 | Very high | 107 Ų | 107 | 65.4 Ų | 65.4 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | trans | -148 | 142 | 175.2 | -56.6 | -179.3 | 6.8 | 0 | 0 | 109.1 | F105 L109 Y110 C193 | F105-Q107 WeakPolarHBondContact CB-O 3.27Å; F105-Q107 PolarHBondContact O-N 3.21Å; F105-Q107 VanDerWaalsContact O-N 3.14Å; Q107-L109 PolarHBondContact OE1-O 2.87Å; Q107-Y110 HydrophobicContact CB-CD1 4.48Å; Q107-Y110 HydrophobicContact CB-CD2 4.26Å; Q107-Y110 HydrophobicContact CB-CE1 4.18Å; Q107-Y110 HydrophobicContact CB-CE2 3.94Å; Q107-Y110 HydrophobicContact CG-CE1 4.22Å; Q107-Y110 WeakPolarHBondContact O-CE2 3.02Å; Q107-C193 WeakPolarHBondContact O-CB 3.41Å | ||
| 108 | E | 92.2 | Very high | 94.3 | Very high | 180 Ų | 180 | 65.3 Ų | 65.3 | 84% | 0.841 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -72.4 | -33.4 | 173.2 | -63.4 | -179.6 | 159.3 | 0 | 0 | 112 | C193 S194 | E108-C193 WeakPolarHBondContact O-CA 3.36Å; E108-C193 WeakPolarHBondContact O-CB 3.46Å; E108-S194 PolarHBondContact O-N 3.2Å |
| 109 | L | 94.9 | Very high | 94.4 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.5 | 179.3 | 171.8 | 63.3 | 0 | 0 | 0 | 109.4 | Q107 S194 V196 | Q107-L109 PolarHBondContact OE1-O 2.87Å; L109-S194 WeakPolarHBondContact CA-O 3.49Å; L109-V196 HydrophobicContact CD1-CG2 3.8Å |
| 110 | Y | 95.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 72.2 Ų | 72.2 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141.5 | 167.3 | -67.8 | -96.2 | 0 | 0 | 0 | 109.6 | F105 Q107 I125 V127 S128 C193 S194 L195 V196 | F105-Y110 HydrophobicContact CD1-CE2 4.18Å; Q107-Y110 HydrophobicContact CB-CD1 4.48Å; Q107-Y110 HydrophobicContact CB-CD2 4.26Å; Q107-Y110 HydrophobicContact CB-CE1 4.18Å; Q107-Y110 HydrophobicContact CB-CE2 3.94Å; Q107-Y110 HydrophobicContact CG-CE1 4.22Å; Q107-Y110 WeakPolarHBondContact O-CE2 3.02Å; Y110-I125 HydrophobicContact CD1-CD1 4.17Å; Y110-V127 HydrophobicContact CD1-CG1 4.24Å; Y110-V127 HydrophobicContact CD2-CG1 3.92Å; Y110-V127 HydrophobicContact CE1-CB 4.49Å; Y110-V127 HydrophobicContact CE1-CG1 4.23Å; Y110-V127 HydrophobicContact CE2-CB 4.25Å; Y110-V127 HydrophobicContact CE2-CG1 3.91Å; Y110-V127 HydrophobicContact CG-CG1 4.08Å; Y110-S128 PolarHBondContact OH-N 3.26Å; Y110-S128 PolarHBondContact OH-O 3.08Å; Y110-C193 HydrophobicContact CD2-CB 4.17Å; Y110-C193 HydrophobicContact CE2-CB 4.04Å; Y110-C193 VanDerWaalsContact CE2-SG 3.58Å; Y110-S194 PolarHBondContact N-O 3.32Å; Y110-L195 WeakPolarHBondContact O-CA 3.36Å; Y110-V196 PolarHBondContact O-N 2.89Å |
| 111 | E | 95.8 | Very high | 94.6 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.4 | 167.7 | -67.8 | -155.6 | 129.2 | 0 | 0 | 110.7 | V196 R198 | E111-V196 WeakPolarHBondContact CA-O 3.32Å; E111-V196 HydrophobicContact CG-CB 4.41Å; E111-R198 IonicContact OE1-CZ 3.52Å; E111-R198 IonicContact OE1-NE 3.39Å; E111-R198 PolarHBondContact OE1-NE 3.47Å; E111-R198 IonicContact OE1-NH2 2.74Å; E111-R198 PolarHBondContact OE1-NH2 2.82Å |
| 112 | A | 95.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 68.5 Ų | 68.5 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 152 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V124 I125 L195 V196 V197 R198 | A112-V124 HydrophobicContact CB-CG1 3.81Å; A112-I125 HydrophobicContact CB-CB 4.33Å; A112-I125 HydrophobicContact CB-CD1 4.21Å; A112-L195 HydrophobicContact CB-CD1 4.21Å; A112-V196 PolarHBondContact N-O 2.77Å; A112-V197 HydrophobicContact CB-CG1 4.43Å; A112-V197 HydrophobicContact CB-CG2 4.46Å; A112-R198 PolarHBondContact O-N 3.31Å |
| 113 | Q | 96.1 | Very high | 94.8 | Very high | 130 Ų | 130 | 69.3 Ų | 69.3 | 61% | 0.607 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.4 | 173.7 | -64.7 | -175.1 | -7.2 | 0 | 0 | 109 | R198 L200 | Q113-R198 WeakPolarHBondContact CA-O 3.26Å; Q113-R198 HydrophobicContact CG-CB 4.39Å; Q113-L200 HydrophobicContact CB-CD1 4.02Å; Q113-L200 HydrophobicContact CB-CD2 4.34Å; Q113-L200 HydrophobicContact CB-CG 4.18Å |
| 114 | V | 95.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.024 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 117.5 | -171.2 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | N118 V124 L169 V197 R198 V199 L200 | V114-N118 HydrophobicContact CG1-CB 4.01Å; V114-N118 WeakPolarHBondContact CG1-ND2 3.4Å; V114-V124 HydrophobicContact CG2-CB 4.34Å; V114-V124 HydrophobicContact CG2-CG1 3.67Å; V114-V124 HydrophobicContact CG2-CG2 4.09Å; V114-L169 HydrophobicContact CB-CD1 4.11Å; V114-L169 HydrophobicContact CG1-CD1 3.74Å; V114-V197 HydrophobicContact CB-CG1 4.3Å; V114-V197 HydrophobicContact CG2-CG1 3.65Å; V114-R198 PolarHBondContact N-O 3.17Å; V114-V199 CarbonylContact O-C 3.52Å; V114-V199 WeakPolarHBondContact O-CA 3.34Å; V114-L200 PolarHBondContact O-N 2.78Å |
| 115 | P | 95.1 | Very high | 94.8 | Very high | 50 Ų | 50 | 64.7 Ų | 64.7 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 139.1 | 168.2 | -21 | 33.2 | 0 | 0 | 0 | 110.8 | N117 N118 L200 V202 | P115-N117 VanDerWaalsContact C-N 3.3Å; P115-N117 PolarHBondContact O-N 3.43Å; P115-N118 WeakPolarHBondContact O-CB 3.43Å; P115-N118 PolarHBondContact O-N 2.99Å; P115-N118 VanDerWaalsContact O-N 3.13Å; P115-L200 WeakPolarHBondContact CA-O 3.16Å; P115-L200 HydrophobicContact CG-CD1 4.47Å; P115-V202 HydrophobicContact CB-CG2 3.92Å |
| 116 | E | 94.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 67 Ų | 67 | 5% | 0.051 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -35.2 | -175 | 66.6 | -150.8 | 109.3 | 0 | 0 | 113.9 | N118 L169 F171 V199 L200 D201 V202 | E116-N118 PolarHBondContact O-N 2.74Å; E116-N118 VanDerWaalsContact O-N 3.07Å; E116-L169 HydrophobicContact CB-CB 4.05Å; E116-F171 WeakPolarHBondContact OE2-CB 3.23Å; E116-F171 PolarHBondContact OE2-N 3.32Å; E116-V199 HydrophobicContact CB-CG1 3.8Å; E116-L200 PolarHBondContact N-O 2.93Å; E116-D201 VanDerWaalsContact OE1-CA 3.29Å; E116-D201 WeakPolarHBondContact OE1-CA 3.41Å; E116-V202 HydrophobicContact CG-CB 4.36Å; E116-V202 HydrophobicContact CG-CG2 4.49Å; E116-V202 PolarHBondContact OE1-N 2.9Å |
| 117 | N | 94.1 | Very high | 94.9 | Very high | 106 Ų | 106 | 63.2 Ų | 63.2 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 2.4 | 176.5 | 77.9 | -5.8 | 0 | 0 | 0 | 114.6 | P115 | P115-N117 VanDerWaalsContact C-N 3.3Å; P115-N117 PolarHBondContact O-N 3.43Å |
| 118 | N | 95 | Very high | 94.9 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 126.2 | -178.5 | 178.6 | 28 | 0 | 0 | 0 | 110.4 | V114 P115 E116 S122 L165 | V114-N118 HydrophobicContact CG1-CB 4.01Å; V114-N118 WeakPolarHBondContact CG1-ND2 3.4Å; P115-N118 WeakPolarHBondContact O-CB 3.43Å; P115-N118 PolarHBondContact O-N 2.99Å; P115-N118 VanDerWaalsContact O-N 3.13Å; E116-N118 PolarHBondContact O-N 2.74Å; E116-N118 VanDerWaalsContact O-N 3.07Å; N118-S122 VanDerWaalsContact CG-OG 3.3Å; N118-S122 PolarHBondContact ND2-OG 3.14Å; N118-S122 VanDerWaalsContact OD1-CB 3.27Å; N118-S122 WeakPolarHBondContact OD1-CB 3.33Å; N118-S122 PolarHBondContact OD1-OG 2.67Å; N118-L165 HydrophobicContact CB-CD2 4.44Å; N118-L165 VanDerWaalsContact O-CD2 3.22Å; N118-L165 WeakPolarHBondContact O-CD2 3.45Å |
| 119 | P | 95.2 | Very high | 95.1 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 149.9 | -172.8 | 21.5 | -34.6 | 0 | 0 | 0 | 114.4 | S122 | P119-S122 WeakPolarHBondContact O-CB 3.33Å; P119-S122 PolarHBondContact O-N 3.35Å; P119-S122 PolarHBondContact O-OG 3.07Å |
| 120 | L | 94.3 | Very high | 95 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 59% | 0.586 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 141.9 | 174.1 | -52 | -177.9 | 0 | 0 | 0 | 111.6 | S122 K167 | L120-S122 VanDerWaalsContact C-N 3.27Å; L120-K167 WeakPolarHBondContact CD2-O 3.49Å |
| 121 | G | 92.9 | Very high | 95 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -1.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L165 | G121-L165 PolarHBondContact N-O 2.78Š|
| 122 | S | 94.9 | Very high | 94.9 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | trans | -62.7 | 152.6 | 171.9 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | N118 P119 L120 R164 L165 | N118-S122 VanDerWaalsContact CG-OG 3.3Å; N118-S122 PolarHBondContact ND2-OG 3.14Å; N118-S122 VanDerWaalsContact OD1-CB 3.27Å; N118-S122 WeakPolarHBondContact OD1-CB 3.33Å; N118-S122 PolarHBondContact OD1-OG 2.67Å; P119-S122 WeakPolarHBondContact O-CB 3.33Å; P119-S122 PolarHBondContact O-N 3.35Å; P119-S122 PolarHBondContact O-OG 3.07Å; L120-S122 VanDerWaalsContact C-N 3.27Å; S122-R164 CarbonylContact O-C 3.56Å; S122-R164 WeakPolarHBondContact O-CA 3.29Å; S122-R164 VanDerWaalsContact O-CB 3.27Å; S122-R164 WeakPolarHBondContact O-CB 3.21Å; S122-L165 PolarHBondContact O-N 3.28Å; S122-L165 WeakPolarHBondContact OG-CB 3.35Å | ||
| 123 | L | 95.7 | Very high | 94.9 | Very high | 92 Ų | 92 | 56.3 Ų | 56.3 | 48% | 0.482 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124 | 174.6 | -176.3 | 69.9 | 0 | 0 | 0 | 109.5 | I125 E162 R164 | L123-I125 WeakPolarHBondContact CD1-O 3.41Å; L123-E162 HydrophobicContact CD1-CB 3.62Å; L123-E162 HydrophobicContact CD1-CG 3.72Å; L123-R164 HydrophobicContact CD1-CG 4.2Å |
| 124 | V | 95.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -54.6 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | A112 V114 F154 I163 L165 V197 | A112-V124 HydrophobicContact CB-CG1 3.81Å; V114-V124 HydrophobicContact CG2-CB 4.34Å; V114-V124 HydrophobicContact CG2-CG1 3.67Å; V114-V124 HydrophobicContact CG2-CG2 4.09Å; V124-F154 HydrophobicContact CG2-CD1 4.11Å; V124-F154 HydrophobicContact CG2-CE1 4.11Å; V124-I163 HydrophobicContact CB-CG2 4.5Å; V124-I163 PolarHBondContact N-O 2.65Å; V124-L165 HydrophobicContact CG2-CB 4.31Å; V124-V197 HydrophobicContact CG1-CG1 4.18Å; V124-V197 HydrophobicContact CG1-CG2 4.25Å |
| 125 | I | 95.6 | Very high | 94.2 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 169.2 | 179.6 | -165 | 155.9 | 0 | 0 | 0 | 109.7 | Y110 A112 L123 I163 L195 | Y110-I125 HydrophobicContact CD1-CD1 4.17Å; A112-I125 HydrophobicContact CB-CB 4.33Å; A112-I125 HydrophobicContact CB-CD1 4.21Å; L123-I125 WeakPolarHBondContact CD1-O 3.41Å; I125-I163 HydrophobicContact CG2-CB 4.08Å; I125-I163 HydrophobicContact CG2-CD1 4.06Å; I125-I163 HydrophobicContact CG2-CG1 4.49Å; I125-I163 PolarHBondContact N-O 3.14Å; I125-I163 PolarHBondContact O-N 2.92Å; I125-L195 HydrophobicContact CD1-CD1 4.32Å; I125-L195 HydrophobicContact CG2-CD1 4Å; I125-L195 HydrophobicContact CG2-CD2 3.85Å |
| 126 | T | 95.9 | Very high | 94 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 116 | 169 | -54.7 | 0 | 0 | 0 | 0 | 108.5 | G161 E162 | T126-G161 WeakPolarHBondContact CA-O 3.26Å; T126-E162 HydrophobicContact CG2-CG 4.29Å |
| 127 | V | 95.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | trans | -84.8 | 156.7 | 171.7 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | F105 Y110 Y142 I156 G161 I163 V181 | F105-V127 HydrophobicContact CD1-CB 4.35Å; F105-V127 HydrophobicContact CE1-CB 3.97Å; F105-V127 HydrophobicContact CE1-CG2 3.97Å; Y110-V127 HydrophobicContact CD1-CG1 4.24Å; Y110-V127 HydrophobicContact CD2-CG1 3.92Å; Y110-V127 HydrophobicContact CE1-CB 4.49Å; Y110-V127 HydrophobicContact CE1-CG1 4.23Å; Y110-V127 HydrophobicContact CE2-CB 4.25Å; Y110-V127 HydrophobicContact CE2-CG1 3.91Å; Y110-V127 HydrophobicContact CG-CG1 4.08Å; V127-Y142 HydrophobicContact CG2-CD1 4.16Å; V127-Y142 HydrophobicContact CG2-CE1 4.36Å; V127-I156 HydrophobicContact CG2-CD1 4.01Å; V127-G161 WeakPolarHBondContact CG2-O 3.15Å; V127-G161 PolarHBondContact N-O 2.81Å; V127-I163 HydrophobicContact CG1-CD1 4.01Å; V127-I163 HydrophobicContact CG2-CD1 4.37Å; V127-V181 HydrophobicContact CG2-CG1 4.14Å | ||
| 128 | S | 94.8 | Very high | 93.5 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 46% | 0.462 | 34% | 0.336 | S | S | . | . | trans | -145 | 125.9 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | A106 Y110 | A106-S128 PolarHBondContact N-O 2.96Å; Y110-S128 PolarHBondContact OH-N 3.26Å; Y110-S128 PolarHBondContact OH-O 3.08Å | ||
| 129 | A | 94.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 7% | 0.066 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 151 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P103 E104 F105 V140 Y142 A183 | P103-A129 HydrophobicContact CB-CB 4.11Å; E104-A129 CarbonylContact O-C 3.55Å; E104-A129 WeakPolarHBondContact O-CA 3.11Å; F105-A129 HydrophobicContact CD1-CB 3.78Å; F105-A129 HydrophobicContact CD2-CB 4.19Å; F105-A129 HydrophobicContact CE1-CB 3.97Å; F105-A129 HydrophobicContact CE2-CB 4.38Å; F105-A129 HydrophobicContact CG-CB 3.9Å; F105-A129 HydrophobicContact CZ-CB 4.29Å; A129-V140 HydrophobicContact CB-CG1 4.28Å; A129-Y142 HydrophobicContact CB-CE1 3.97Å; A129-Y142 PolarHBondContact N-OH 2.83Å; A129-Y142 PolarHBondContact O-OH 3.26Å; A129-A183 HydrophobicContact CB-CB 3.49Å; A129-A183 VanDerWaalsContact CB-CB 3.49Å |
| 130 | R | 94.1 | Very high | 93.4 | Very high | 178 Ų | 178 | 55.9 Ų | 55.9 | 67% | 0.672 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.6 | -179.6 | 174.7 | 175 | 176.2 | -164.1 | -6.2 | 109.5 | E104 | E104-R130 PolarHBondContact N-O 3.47Å; E104-R130 PolarHBondContact O-N 2.73Å |
| 131 | D | 95.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | trans | -100.1 | 162.4 | 165.5 | -150.4 | -67.2 | 0 | 0 | 0 | 110.5 | V102 P103 D133 V140 | V102-D131 VanDerWaalsContact C-OD2 3.31Å; P103-D131 VanDerWaalsContact CD-OD2 3.29Å; P103-D131 WeakPolarHBondContact CD-OD2 3.31Å; P103-D131 WeakPolarHBondContact CG-OD2 3.31Å; D131-D133 WeakPolarHBondContact OD1-CB 3.41Å; D131-D133 PolarHBondContact OD1-N 3.32Å; D131-V140 HydrophobicContact CB-CG2 4.04Å | ||
| 132 | L | 93.8 | Very high | 93.5 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | trans | -109.6 | -17 | 177.3 | -57.8 | -177.3 | 0 | 0 | 0 | 112.7 | R65 E66 N101 | R65-L132 PolarHBondContact NH2-O 2.88Å; E66-L132 HydrophobicContact CG-CB 3.89Å; N101-L132 HydrophobicContact CB-CB 4.24Å | ||
| 133 | D | 93.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.059 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -68 | 172.3 | 178.2 | -64.4 | -12.2 | 0 | 0 | 0 | 111.1 | N99 D100 N101 D131 F137 G138 | N99-D133 WeakPolarHBondContact CA-OD2 3.46Å; D100-D133 PolarHBondContact N-OD2 3.09Å; D100-D133 VanDerWaalsContact N-OD2 3.08Å; N101-D133 WeakPolarHBondContact CB-OD1 3.38Å; N101-D133 PolarHBondContact N-OD1 2.96Å; N101-D133 PolarHBondContact N-OD2 2.92Å; N101-D133 PolarHBondContact ND2-OD1 2.93Å; D131-D133 WeakPolarHBondContact OD1-CB 3.41Å; D131-D133 PolarHBondContact OD1-N 3.32Å; D133-F137 HydrophobicContact CB-CB 3.59Å; D133-G138 VanDerWaalsContact C-CA 3.49Å; D133-G138 WeakPolarHBondContact O-CA 3.39Å |
| 134 | A | 89.3 | Confident | 93.2 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | trans | -108.1 | 164.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D97 S136 F137 G138 | D97-A134 HydrophobicContact CB-CB 4.38Å; D97-A134 WeakPolarHBondContact OD1-CB 3.47Å; D97-A134 PolarHBondContact OD1-N 2.77Å; D97-A134 WeakPolarHBondContact OD2-CA 3.2Å; D97-A134 WeakPolarHBondContact OD2-CB 3.43Å; D97-A134 PolarHBondContact OD2-N 2.83Å; D97-A134 VanDerWaalsContact OD2-O 3.07Å; A134-S136 PolarHBondContact O-N 3.01Å; A134-F137 PolarHBondContact O-N 2.66Å; A134-G138 PolarHBondContact O-N 3Å; A134-G138 VanDerWaalsContact O-N 3.11Å | ||
| 135 | G | 89.1 | Confident | 92.5 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 78% | 0.784 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -100.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 136 | S | 89.4 | Confident | 91.2 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -33.1 | 176.5 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | A134 K139 G186 | A134-S136 PolarHBondContact O-N 3.01Å; S136-K139 WeakPolarHBondContact O-CB 3.33Å; S136-K139 PolarHBondContact O-N 2.77Å; S136-G186 VanDerWaalsContact O-CA 3.27Å; S136-G186 WeakPolarHBondContact O-CA 3.46Å; S136-G186 PolarHBondContact O-N 2.78Å |
| 137 | F | 90.6 | Very high | 89.2 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -46.3 | 178.5 | -57.4 | -34.4 | 0 | 0 | 0 | 108.9 | D97 I98 N99 D133 A134 K139 D185 | D97-F137 WeakPolarHBondContact OD2-CD2 3.48Å; I98-F137 VanDerWaalsContact C-CD2 3.49Å; I98-F137 WeakPolarHBondContact O-CD2 3.37Å; N99-F137 HydrophobicContact CB-CB 4.09Å; N99-F137 HydrophobicContact CB-CD1 3.77Å; N99-F137 HydrophobicContact CB-CD2 4.07Å; N99-F137 HydrophobicContact CB-CE1 4.17Å; N99-F137 HydrophobicContact CB-CE2 4.44Å; N99-F137 HydrophobicContact CB-CG 3.71Å; N99-F137 HydrophobicContact CB-CZ 4.49Å; N99-F137 VanDerWaalsContact OD1-CB 3.26Å; N99-F137 WeakPolarHBondContact OD1-CB 3.19Å; N99-F137 WeakPolarHBondContact OD1-CD1 3.44Å; N99-F137 VanDerWaalsContact OD1-CG 3.32Å; N99-F137 WeakPolarHBondContact OD1-CG 3.13Å; D133-F137 HydrophobicContact CB-CB 3.59Å; A134-F137 PolarHBondContact O-N 2.66Å; F137-K139 PolarHBondContact O-N 3.26Å; F137-D185 WeakPolarHBondContact O-CB 3.27Å |
| 138 | G | 88.3 | Confident | 87.4 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | D133 A134 | D133-G138 VanDerWaalsContact C-CA 3.49Å; D133-G138 WeakPolarHBondContact O-CA 3.39Å; A134-G138 PolarHBondContact O-N 3Å; A134-G138 VanDerWaalsContact O-N 3.11Å |
| 139 | K | 92.9 | Very high | 85.6 | Confident | 132 Ų | 132 | 69.5 Ų | 69.5 | 57% | 0.574 | 39% | 0.392 | S | S | * | . | trans | -110.7 | 91.2 | -174.9 | -165.5 | -158.1 | 169 | -164.6 | 0 | 112.4 | S136 F137 | S136-K139 WeakPolarHBondContact O-CB 3.33Å; S136-K139 PolarHBondContact O-N 2.77Å; F137-K139 PolarHBondContact O-N 3.26Å | ||
| 140 | V | 94.6 | Very high | 83.7 | Confident | 23 Ų | 23 | 74.9 Ų | 74.9 | 14% | 0.139 | 42% | 0.423 | C | S | . | . | trans | -59 | 145.7 | 172.3 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | P103 A129 D131 Y142 A183 T184 | P103-V140 HydrophobicContact CB-CG1 4.24Å; P103-V140 HydrophobicContact CB-CG2 3.92Å; P103-V140 HydrophobicContact CG-CG2 4.1Å; A129-V140 HydrophobicContact CB-CG1 4.28Å; D131-V140 HydrophobicContact CB-CG2 4.04Å; V140-Y142 HydrophobicContact CG1-CD1 4.37Å; V140-Y142 HydrophobicContact CG1-CE1 3.92Å; V140-Y142 HydrophobicContact CG1-CE2 4.15Å; V140-A183 HydrophobicContact CG1-CB 3.73Å; V140-T184 CarbonylContact C-O 3.58Å | ||
| 141 | S | 95 | Very high | 82.1 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 37% | 0.371 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 148 | 164.6 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | A158 A183 T184 | S141-A158 VanDerWaalsContact CA-O 3.26Å; S141-A158 WeakPolarHBondContact CA-O 3.38Å; S141-A183 CarbonylContact O-C 3.59Å; S141-A183 WeakPolarHBondContact O-CA 3.43Å; S141-T184 PolarHBondContact N-O 3.4Å; S141-T184 PolarHBondContact O-N 3.4Å; S141-T184 PolarHBondContact OG-O 3.07Å |
| 142 | Y | 94.9 | Very high | 81.3 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 9% | 0.09 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.3 | -171.5 | -56.5 | -86.6 | 0 | 0 | 0 | 113.5 | F105 V127 A129 V140 I156 A158 E182 A183 | F105-Y142 HydrophobicContact CE1-CD1 4.16Å; F105-Y142 AromaticContact CE1-CE1 3.99Å; F105-Y142 HydrophobicContact CE1-CE1 3.99Å; F105-Y142 HydrophobicContact CZ-CD1 4.28Å; F105-Y142 HydrophobicContact CZ-CE1 4.42Å; V127-Y142 HydrophobicContact CG2-CD1 4.16Å; V127-Y142 HydrophobicContact CG2-CE1 4.36Å; A129-Y142 HydrophobicContact CB-CE1 3.97Å; A129-Y142 PolarHBondContact N-OH 2.83Å; A129-Y142 PolarHBondContact O-OH 3.26Å; V140-Y142 HydrophobicContact CG1-CD1 4.37Å; V140-Y142 HydrophobicContact CG1-CE1 3.92Å; V140-Y142 HydrophobicContact CG1-CE2 4.15Å; Y142-I156 HydrophobicContact CG-CD1 4.48Å; Y142-A158 PolarHBondContact N-O 2.86Å; Y142-A158 VanDerWaalsContact N-O 3.09Å; Y142-A158 VanDerWaalsContact O-CA 3.31Å; Y142-A158 WeakPolarHBondContact O-CA 3.38Å; Y142-A158 VanDerWaalsContact O-CB 3.31Å; Y142-A158 WeakPolarHBondContact O-CB 3.47Å; Y142-E182 WeakPolarHBondContact CA-O 3.43Å; Y142-A183 HydrophobicContact CD1-CB 4.03Å; Y142-A183 HydrophobicContact CE1-CB 4.08Å |
| 143 | A | 92.9 | Very high | 81.1 | Confident | 42 Ų | 42 | 70 Ų | 70 | 35% | 0.347 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 152 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V181 E182 | A143-V181 WeakPolarHBondContact O-CG1 3.46Å; A143-E182 PolarHBondContact N-O 3.21Å; A143-E182 PolarHBondContact O-N 2.94Å |
| 144 | L | 90.9 | Very high | 81.1 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 24% | 0.241 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 123.9 | 166.2 | -58 | -175.1 | 0 | 0 | 0 | 107.8 | Q146 F154 I156 I163 V179 V181 | L144-Q146 PolarHBondContact O-N 3.33Å; L144-F154 HydrophobicContact CD1-CB 4.13Å; L144-I156 HydrophobicContact CD2-CB 3.92Å; L144-I156 HydrophobicContact CD2-CD1 4.12Å; L144-I156 HydrophobicContact CD2-CG2 4.04Å; L144-I156 HydrophobicContact CG-CB 4.01Å; L144-I156 HydrophobicContact CG-CG2 3.78Å; L144-I163 HydrophobicContact CD2-CD1 4.23Å; L144-I163 HydrophobicContact CD2-CG1 4.48Å; L144-V179 HydrophobicContact CD1-CG1 4.39Å; L144-V179 HydrophobicContact CD2-CG1 3.93Å; L144-V179 HydrophobicContact CG-CG1 4.5Å; L144-V181 HydrophobicContact CD2-CG1 4.32Å; L144-V181 HydrophobicContact CD2-CG2 4Å |
| 145 | F | 81 | Confident | 81.2 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 43% | 0.434 | 42% | 0.415 | S | S | . | . | trans | -98.1 | 81.2 | -173 | -178.5 | -102.3 | 0 | 0 | 0 | 110.4 | D180 E182 K192 | F145-D180 HydrophobicContact CB-CB 4.35Å; F145-D180 HydrophobicContact CD1-CB 4.37Å; F145-D180 PolarHBondContact N-O 2.71Å; F145-E182 HydrophobicContact CB-CB 3.9Å; F145-E182 WeakPolarHBondContact CD2-OE2 3.22Å; F145-E182 HydrophobicContact CG-CB 4.45Å; F145-K192 HydrophobicContact CD1-CD 4.26Å; F145-K192 VanDerWaalsContact CG-NZ 3.25Å | ||
| 146 | Q | 69.3 | Low | 81.5 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 36% | 0.36 | 39% | 0.386 | S | S | . | . | trans | -137.3 | 160.8 | -178.3 | -72.8 | -156.8 | -30.1 | 0 | 0 | 115 | L144 Q152 D178 | L144-Q146 PolarHBondContact O-N 3.33Å; Q146-Q152 VanDerWaalsContact OE1-CG 3.26Å; Q146-D178 PolarHBondContact NE2-O 3.41Å | ||
| 147 | V | 53.6 | Low | 81.8 | Confident | 133 Ų | 133 | 70.1 Ų | 70.1 | 81% | 0.806 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -92.9 | -27.1 | -164.4 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 148 | D | 58 | Low | 82 | Confident | 134 Ų | 134 | 69.7 Ų | 69.7 | 72% | 0.717 | 39% | 0.386 | S | S | * | . | trans | -122.2 | 71.2 | -174.3 | -72.5 | -68.5 | 0 | 0 | 0 | 112.3 | V150 | D148-V150 PolarHBondContact O-N 2.89Š| ||
| 149 | D | 56 | Low | 82.2 | Confident | 136 Ų | 136 | 74.5 Ų | 74.5 | 73% | 0.727 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -14.1 | -172.1 | -173.1 | 42.3 | 0 | 0 | 0 | 116.3 | ||
| 150 | V | 54.9 | Low | 82.3 | Confident | 120 Ų | 120 | 71.1 Ų | 71.1 | 73% | 0.727 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -38.8 | -172 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | D148 K167 | D148-V150 PolarHBondContact O-N 2.89Å; V150-K167 PolarHBondContact O-NZ 2.74Å |
| 151 | N | 60.7 | Low | 82.2 | Confident | 129 Ų | 129 | 70 Ų | 70 | 69% | 0.69 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -20.7 | -164.5 | -87.6 | 8.3 | 0 | 0 | 0 | 116.7 | K167 | N151-K167 VanDerWaalsContact CA-NZ 3.29Å; N151-K167 PolarHBondContact O-NZ 2.9Å |
| 152 | Q | 79.1 | Confident | 82.3 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | trans | -48.8 | 135.1 | 178.9 | -87.7 | -68.9 | -25.9 | 0 | 0 | 114.2 | Q146 K167 | Q146-Q152 VanDerWaalsContact OE1-CG 3.26Å; Q152-K167 WeakPolarHBondContact O-CE 3.43Å | ||
| 153 | P | 89.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | trans | -87.7 | -3.5 | 179.1 | 35.2 | -37.6 | 0 | 0 | 0 | 114.4 | L165 R166 K167 L169 Y177 | P153-L165 HydrophobicContact CB-CD1 4.39Å; P153-R166 WeakPolarHBondContact O-CA 3.27Å; P153-R166 WeakPolarHBondContact O-CB 3.48Å; P153-R166 PolarHBondContact O-N 3.42Å; P153-K167 HydrophobicContact CB-CB 3.9Å; P153-K167 PolarHBondContact O-N 2.85Å; P153-K167 VanDerWaalsContact O-N 3.12Å; P153-L169 HydrophobicContact CB-CD2 3.72Å; P153-L169 HydrophobicContact CG-CD2 3.64Å; P153-Y177 HydrophobicContact CG-CD1 4.23Å; P153-Y177 HydrophobicContact CG-CE1 3.79Å; P153-Y177 HydrophobicContact CG-CE2 4.28Å | ||
| 154 | F | 92.6 | Very high | 82.4 | Confident | 7 Ų | 7 | 70.9 Ų | 70.9 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 159.4 | -176.4 | -50.6 | -65.4 | 0 | 0 | 0 | 113.7 | V124 L144 I163 R164 L165 L169 Y177 V179 V197 | V124-F154 HydrophobicContact CG2-CD1 4.11Å; V124-F154 HydrophobicContact CG2-CE1 4.11Å; L144-F154 HydrophobicContact CD1-CB 4.13Å; F154-I163 HydrophobicContact CB-CG2 4.11Å; F154-R164 CarbonylContact C-O 3.53Å; F154-R164 WeakPolarHBondContact CA-O 3.11Å; F154-L165 HydrophobicContact CD1-CD1 4.03Å; F154-L165 HydrophobicContact CE1-CD1 3.84Å; F154-L169 HydrophobicContact CE1-CD2 4.39Å; F154-L169 HydrophobicContact CZ-CD2 4.29Å; F154-Y177 HydrophobicContact CE2-CD1 4.35Å; F154-Y177 HydrophobicContact CE2-CD2 4.05Å; F154-Y177 AromaticContact CE2-CG 3.81Å; F154-Y177 HydrophobicContact CE2-CG 3.81Å; F154-Y177 AromaticContact CZ-CD2 4Å; F154-Y177 HydrophobicContact CZ-CD2 4Å; F154-Y177 HydrophobicContact CZ-CG 4.25Å; F154-V179 HydrophobicContact CD2-CG2 4.03Å; F154-V179 HydrophobicContact CE2-CG2 4.22Å; F154-V197 HydrophobicContact CE1-CG1 4.14Å; F154-V197 HydrophobicContact CE1-CG2 4.38Å; F154-V197 HydrophobicContact CE2-CB 4.24Å; F154-V197 HydrophobicContact CE2-CG2 4.01Å; F154-V197 HydrophobicContact CZ-CB 3.83Å; F154-V197 HydrophobicContact CZ-CG1 3.72Å; F154-V197 HydrophobicContact CZ-CG2 3.85Å |
| 155 | E | 92.7 | Very high | 82.6 | Confident | 89 Ų | 89 | 68.8 Ų | 68.8 | 42% | 0.416 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 152.2 | 167.5 | 62.1 | -179.9 | -148 | 0 | 0 | 110.6 | I163 R164 R166 | E155-I163 CarbonylContact O-C 3.59Å; E155-I163 WeakPolarHBondContact O-CA 3.13Å; E155-R164 HydrophobicContact CG-CB 4.09Å; E155-R164 PolarHBondContact N-O 3.25Å; E155-R164 PolarHBondContact O-N 2.7Å; E155-R166 HydrophobicContact CB-CB 4.31Å; E155-R166 HydrophobicContact CG-CB 4.13Å; E155-R166 WeakPolarHBondContact OE2-CD 3.37Å |
| 156 | I | 94.4 | Very high | 83.1 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 18% | 0.179 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.1 | 177.8 | -166.8 | 167.1 | 0 | 0 | 0 | 111.8 | V127 Y142 L144 A158 E162 I163 V181 | V127-I156 HydrophobicContact CG2-CD1 4.01Å; Y142-I156 HydrophobicContact CG-CD1 4.48Å; L144-I156 HydrophobicContact CD2-CB 3.92Å; L144-I156 HydrophobicContact CD2-CD1 4.12Å; L144-I156 HydrophobicContact CD2-CG2 4.04Å; L144-I156 HydrophobicContact CG-CB 4.01Å; L144-I156 HydrophobicContact CG-CG2 3.78Å; I156-A158 PolarHBondContact O-N 3.38Å; I156-E162 WeakPolarHBondContact CA-O 3.47Å; I156-I163 HydrophobicContact CB-CG1 4.07Å; I156-I163 HydrophobicContact CD1-CD1 4Å; I156-I163 HydrophobicContact CD1-CG1 3.66Å; I156-I163 HydrophobicContact CG1-CG1 3.68Å; I156-V181 HydrophobicContact CD1-CG1 3.54Å |
| 157 | N | 95.4 | Very high | 84.2 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 34% | 0.337 | 37% | 0.365 | S | S | . | . | trans | -78.2 | 108.5 | 170.3 | -174.3 | -41 | 0 | 0 | 0 | 109.8 | I159 T160 G161 E162 | N157-I159 PolarHBondContact O-N 2.98Å; N157-I159 PolarHBondContact OD1-N 3.24Å; N157-T160 WeakPolarHBondContact CB-OG1 3.34Å; N157-T160 PolarHBondContact ND2-OG1 3Å; N157-T160 PolarHBondContact O-N 2.85Å; N157-T160 PolarHBondContact OD1-N 2.97Å; N157-T160 VanDerWaalsContact OD1-N 3.14Å; N157-G161 PolarHBondContact O-N 2.77Å; N157-E162 HydrophobicContact CB-CB 4.18Å; N157-E162 PolarHBondContact N-O 2.87Å | ||
| 158 | A | 94.4 | Very high | 86.1 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -7.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | S141 Y142 I156 | S141-A158 VanDerWaalsContact CA-O 3.26Å; S141-A158 WeakPolarHBondContact CA-O 3.38Å; Y142-A158 PolarHBondContact N-O 2.86Å; Y142-A158 VanDerWaalsContact N-O 3.09Å; Y142-A158 VanDerWaalsContact O-CA 3.31Å; Y142-A158 WeakPolarHBondContact O-CA 3.38Å; Y142-A158 VanDerWaalsContact O-CB 3.31Å; Y142-A158 WeakPolarHBondContact O-CB 3.47Å; I156-A158 PolarHBondContact O-N 3.38Å |
| 159 | I | 93.1 | Very high | 87.8 | Confident | 131 Ų | 131 | 61.6 Ų | 61.6 | 67% | 0.672 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -39.8 | 176.5 | -57.5 | 177.3 | 0 | 0 | 0 | 111.8 | N157 | N157-I159 PolarHBondContact O-N 2.98Å; N157-I159 PolarHBondContact OD1-N 3.24Å |
| 160 | T | 94.8 | Very high | 89.6 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -12.7 | -173.5 | 63.9 | 0 | 0 | 0 | 0 | 115 | N157 E162 | N157-T160 WeakPolarHBondContact CB-OG1 3.34Å; N157-T160 PolarHBondContact ND2-OG1 3Å; N157-T160 PolarHBondContact O-N 2.85Å; N157-T160 PolarHBondContact OD1-N 2.97Å; N157-T160 VanDerWaalsContact OD1-N 3.14Å; T160-E162 WeakPolarHBondContact CB-OE1 3.42Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-E162 VanDerWaalsContact OG1-CD 3.3Å; T160-E162 WeakPolarHBondContact OG1-CG 3.46Å; T160-E162 PolarHBondContact OG1-OE1 2.91Å |
| 161 | G | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | 71.9 | 5.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | T126 V127 N157 I163 | T126-G161 WeakPolarHBondContact CA-O 3.26Å; V127-G161 WeakPolarHBondContact CG2-O 3.15Å; V127-G161 PolarHBondContact N-O 2.81Å; N157-G161 PolarHBondContact O-N 2.77Å; G161-I163 PolarHBondContact O-N 3.3Å | ||
| 162 | E | 96.6 | Very high | 93.1 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 122 | 172.9 | -72.9 | 170.8 | -117.3 | 0 | 0 | 110.6 | L123 T126 I156 N157 T160 R164 | L123-E162 HydrophobicContact CD1-CB 3.62Å; L123-E162 HydrophobicContact CD1-CG 3.72Å; T126-E162 HydrophobicContact CG2-CG 4.29Å; I156-E162 WeakPolarHBondContact CA-O 3.47Å; N157-E162 HydrophobicContact CB-CB 4.18Å; N157-E162 PolarHBondContact N-O 2.87Å; T160-E162 WeakPolarHBondContact CB-OE1 3.42Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-E162 VanDerWaalsContact OG1-CD 3.3Å; T160-E162 WeakPolarHBondContact OG1-CG 3.46Å; T160-E162 PolarHBondContact OG1-OE1 2.91Å; E162-R164 IonicContact OE2-CZ 3.18Å; E162-R164 VanDerWaalsContact OE2-CZ 3.29Å; E162-R164 IonicContact OE2-NE 3.9Å; E162-R164 PolarHBondContact OE2-NE 2.93Å; E162-R164 VanDerWaalsContact OE2-NE 3.07Å; E162-R164 IonicContact OE2-NH2 3.94Å; E162-R164 PolarHBondContact OE2-NH2 2.91Å |
| 163 | I | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.8 | 172 | -63.1 | 171.8 | 0 | 0 | 0 | 107.9 | V124 I125 V127 L144 F154 E155 I156 G161 V181 L195 | V124-I163 HydrophobicContact CB-CG2 4.5Å; V124-I163 PolarHBondContact N-O 2.65Å; I125-I163 HydrophobicContact CG2-CB 4.08Å; I125-I163 HydrophobicContact CG2-CD1 4.06Å; I125-I163 HydrophobicContact CG2-CG1 4.49Å; I125-I163 PolarHBondContact N-O 3.14Å; I125-I163 PolarHBondContact O-N 2.92Å; V127-I163 HydrophobicContact CG1-CD1 4.01Å; V127-I163 HydrophobicContact CG2-CD1 4.37Å; L144-I163 HydrophobicContact CD2-CD1 4.23Å; L144-I163 HydrophobicContact CD2-CG1 4.48Å; F154-I163 HydrophobicContact CB-CG2 4.11Å; E155-I163 CarbonylContact O-C 3.59Å; E155-I163 WeakPolarHBondContact O-CA 3.13Å; I156-I163 HydrophobicContact CB-CG1 4.07Å; I156-I163 HydrophobicContact CD1-CD1 4Å; I156-I163 HydrophobicContact CD1-CG1 3.66Å; I156-I163 HydrophobicContact CG1-CG1 3.68Å; G161-I163 PolarHBondContact O-N 3.3Å; I163-V181 HydrophobicContact CD1-CG2 4.03Å; I163-L195 HydrophobicContact CD1-CD2 3.54Å; I163-L195 HydrophobicContact CG2-CD2 4.43Å |
| 164 | R | 95.1 | Very high | 93.7 | Very high | 95 Ų | 95 | 59.2 Ų | 59.2 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156.7 | -172.5 | -64.3 | -175 | 175.6 | -149.6 | 5 | 111.8 | S122 L123 F154 E155 E162 | S122-R164 CarbonylContact O-C 3.56Å; S122-R164 WeakPolarHBondContact O-CA 3.29Å; S122-R164 VanDerWaalsContact O-CB 3.27Å; S122-R164 WeakPolarHBondContact O-CB 3.21Å; L123-R164 HydrophobicContact CD1-CG 4.2Å; F154-R164 CarbonylContact C-O 3.53Å; F154-R164 WeakPolarHBondContact CA-O 3.11Å; E155-R164 HydrophobicContact CG-CB 4.09Å; E155-R164 PolarHBondContact N-O 3.25Å; E155-R164 PolarHBondContact O-N 2.7Å; E162-R164 IonicContact OE2-CZ 3.18Å; E162-R164 VanDerWaalsContact OE2-CZ 3.29Å; E162-R164 IonicContact OE2-NE 3.9Å; E162-R164 PolarHBondContact OE2-NE 2.93Å; E162-R164 VanDerWaalsContact OE2-NE 3.07Å; E162-R164 IonicContact OE2-NH2 3.94Å; E162-R164 PolarHBondContact OE2-NH2 2.91Å |
| 165 | L | 94.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.1 | -179.9 | -170.4 | 66.8 | 0 | 0 | 0 | 111.3 | N118 G121 S122 V124 P153 F154 K167 L169 | N118-L165 HydrophobicContact CB-CD2 4.44Å; N118-L165 VanDerWaalsContact O-CD2 3.22Å; N118-L165 WeakPolarHBondContact O-CD2 3.45Å; G121-L165 PolarHBondContact N-O 2.78Å; S122-L165 PolarHBondContact O-N 3.28Å; S122-L165 WeakPolarHBondContact OG-CB 3.35Å; V124-L165 HydrophobicContact CG2-CB 4.31Å; P153-L165 HydrophobicContact CB-CD1 4.39Å; F154-L165 HydrophobicContact CD1-CD1 4.03Å; F154-L165 HydrophobicContact CE1-CD1 3.84Å; L165-K167 WeakPolarHBondContact CD1-O 3.47Å; L165-K167 WeakPolarHBondContact CG-O 3.34Å; L165-L169 HydrophobicContact CD1-CD1 4.1Å; L165-L169 HydrophobicContact CD1-CD2 3.73Å; L165-L169 HydrophobicContact CD1-CG 3.81Å; L165-L169 HydrophobicContact CD2-CG 4.47Å |
| 166 | R | 92 | Very high | 93.8 | Very high | 136 Ų | 136 | 62.6 Ų | 62.6 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | trans | -110.9 | -25.8 | -175 | -177.9 | 178.4 | 171.5 | -135.3 | 2.4 | 113.6 | P153 E155 | P153-R166 WeakPolarHBondContact O-CA 3.27Å; P153-R166 WeakPolarHBondContact O-CB 3.48Å; P153-R166 PolarHBondContact O-N 3.42Å; E155-R166 HydrophobicContact CB-CB 4.31Å; E155-R166 HydrophobicContact CG-CB 4.13Å; E155-R166 WeakPolarHBondContact OE2-CD 3.37Å | ||
| 167 | K | 91.7 | Very high | 93.7 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 30% | 0.296 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -125.4 | 163.6 | 171.8 | -56.5 | -179 | -174 | 177.5 | 0 | 109.7 | L120 V150 N151 Q152 P153 L165 | L120-K167 WeakPolarHBondContact CD2-O 3.49Å; V150-K167 PolarHBondContact O-NZ 2.74Å; N151-K167 VanDerWaalsContact CA-NZ 3.29Å; N151-K167 PolarHBondContact O-NZ 2.9Å; Q152-K167 WeakPolarHBondContact O-CE 3.43Å; P153-K167 HydrophobicContact CB-CB 3.9Å; P153-K167 PolarHBondContact O-N 2.85Å; P153-K167 VanDerWaalsContact O-N 3.12Å; L165-K167 WeakPolarHBondContact CD1-O 3.47Å; L165-K167 WeakPolarHBondContact CG-O 3.34Å |
| 168 | A | 92.6 | Very high | 93.5 | Very high | 74 Ų | 74 | 64.6 Ų | 64.6 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | trans | -63.1 | 156.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 169 | L | 93.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | trans | -104 | 164.6 | 167 | -52.3 | 175.8 | 0 | 0 | 0 | 108.2 | V114 E116 P153 F154 L165 Y177 V199 | V114-L169 HydrophobicContact CB-CD1 4.11Å; V114-L169 HydrophobicContact CG1-CD1 3.74Å; E116-L169 HydrophobicContact CB-CB 4.05Å; P153-L169 HydrophobicContact CB-CD2 3.72Å; P153-L169 HydrophobicContact CG-CD2 3.64Å; F154-L169 HydrophobicContact CE1-CD2 4.39Å; F154-L169 HydrophobicContact CZ-CD2 4.29Å; L165-L169 HydrophobicContact CD1-CD1 4.1Å; L165-L169 HydrophobicContact CD1-CD2 3.73Å; L165-L169 HydrophobicContact CD1-CG 3.81Å; L165-L169 HydrophobicContact CD2-CG 4.47Å; L169-Y177 HydrophobicContact CD2-CE2 3.84Å; L169-V199 HydrophobicContact CB-CG1 4.29Å; L169-V199 HydrophobicContact CD1-CG1 4.45Å; L169-V199 HydrophobicContact CD1-CG2 4.21Å | ||
| 170 | D | 93.8 | Very high | 93.2 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | trans | -150.5 | 111.9 | -176.7 | -179.5 | -45.2 | 0 | 0 | 0 | 105.1 | E172 E173 I174 | D170-E172 PolarHBondContact OD1-N 3.06Å; D170-E173 HydrophobicContact CB-CB 4.05Å; D170-E173 WeakPolarHBondContact OD1-CB 3.41Å; D170-E173 PolarHBondContact OD1-N 2.83Å; D170-I174 PolarHBondContact O-N 2.86Å | ||
| 171 | F | 94.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -35 | -174 | -178.8 | -90.9 | 0 | 0 | 0 | 111.2 | E116 E173 Q175 V199 D201 | E116-F171 WeakPolarHBondContact OE2-CB 3.23Å; E116-F171 PolarHBondContact OE2-N 3.32Å; F171-E173 VanDerWaalsContact C-N 3.34Å; F171-Q175 HydrophobicContact CD1-CG 4.13Å; F171-Q175 HydrophobicContact CD2-CB 4.33Å; F171-Q175 HydrophobicContact CD2-CG 4Å; F171-Q175 HydrophobicContact CE1-CG 3.9Å; F171-Q175 VanDerWaalsContact CE1-NE2 3.31Å; F171-Q175 HydrophobicContact CE2-CB 4.02Å; F171-Q175 HydrophobicContact CE2-CG 3.77Å; F171-Q175 HydrophobicContact CG-CG 4.18Å; F171-Q175 HydrophobicContact CZ-CB 4.35Å; F171-Q175 HydrophobicContact CZ-CG 3.71Å; F171-Q175 WeakPolarHBondContact O-CG 3.39Å; F171-V199 HydrophobicContact CB-CG1 4.06Å; F171-V199 HydrophobicContact CD2-CB 3.96Å; F171-V199 HydrophobicContact CD2-CG1 4Å; F171-V199 WeakPolarHBondContact CE2-O 3.46Å; F171-D201 HydrophobicContact CD1-CB 3.96Å; F171-D201 HydrophobicContact CD2-CB 4.13Å; F171-D201 HydrophobicContact CE1-CB 3.95Å; F171-D201 HydrophobicContact CE2-CB 4.12Å; F171-D201 HydrophobicContact CG-CB 4.06Å; F171-D201 HydrophobicContact CZ-CB 4.04Å |
| 172 | E | 94.6 | Very high | 93.2 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 33% | 0.327 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -32.4 | 174.7 | -76.7 | 57.1 | -122.4 | 0 | 0 | 112.3 | D170 A235 | D170-E172 PolarHBondContact OD1-N 3.06Å; E172-A235 HydrophobicContact CG-CB 4.13Å |
| 173 | E | 92 | Very high | 93.1 | Very high | 149 Ų | 149 | 56 Ų | 56 | 70% | 0.696 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -54.1 | 172 | -159.7 | -171.9 | -161 | 0 | 0 | 112.4 | D170 F171 | D170-E173 HydrophobicContact CB-CB 4.05Å; D170-E173 WeakPolarHBondContact OD1-CB 3.41Å; D170-E173 PolarHBondContact OD1-N 2.83Å; F171-E173 VanDerWaalsContact C-N 3.34Å |
| 174 | I | 91.1 | Very high | 93.1 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | trans | -144.5 | 98.1 | -172.3 | -49.8 | -178.4 | 0 | 0 | 0 | 113 | D170 S176 Y177 V199 | D170-I174 PolarHBondContact O-N 2.86Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 WeakPolarHBondContact CG2-O 3.45Å; I174-S176 PolarHBondContact O-N 3.12Å; I174-Y177 HydrophobicContact CB-CE1 4.2Å; I174-Y177 HydrophobicContact CB-CE2 4.22Å; I174-Y177 HydrophobicContact CD1-CE1 3.84Å; I174-Y177 HydrophobicContact CG2-CD1 4.12Å; I174-Y177 HydrophobicContact CG2-CD2 4.28Å; I174-Y177 HydrophobicContact CG2-CE1 3.75Å; I174-Y177 HydrophobicContact CG2-CE2 3.92Å; I174-Y177 HydrophobicContact CG2-CG 4.37Å; I174-V199 WeakPolarHBondContact O-CG2 3.43Å | ||
| 175 | Q | 93.1 | Very high | 93.1 | Very high | 109 Ų | 109 | 53.7 Ų | 53.7 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -69.4 | -19.6 | 179.7 | -60.4 | -178.4 | -7.9 | 0 | 0 | 115.4 | F171 V199 | F171-Q175 HydrophobicContact CD1-CG 4.13Å; F171-Q175 HydrophobicContact CD2-CB 4.33Å; F171-Q175 HydrophobicContact CD2-CG 4Å; F171-Q175 HydrophobicContact CE1-CG 3.9Å; F171-Q175 VanDerWaalsContact CE1-NE2 3.31Å; F171-Q175 HydrophobicContact CE2-CB 4.02Å; F171-Q175 HydrophobicContact CE2-CG 3.77Å; F171-Q175 HydrophobicContact CG-CG 4.18Å; F171-Q175 HydrophobicContact CZ-CB 4.35Å; F171-Q175 HydrophobicContact CZ-CG 3.71Å; F171-Q175 WeakPolarHBondContact O-CG 3.39Å; Q175-V199 PolarHBondContact O-N 2.88Å |
| 176 | S | 93.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 56 Ų | 56 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 140.7 | -179.5 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | I174 V197 | I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 WeakPolarHBondContact CG2-O 3.45Å; I174-S176 PolarHBondContact O-N 3.12Å; S176-V197 CarbonylContact C-O 3.6Å; S176-V197 WeakPolarHBondContact CA-O 3.22Å |
| 177 | Y | 91.7 | Very high | 92.7 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 11% | 0.106 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.4 | 175.6 | -59.6 | -95.5 | 0 | 0 | 0 | 110.9 | P153 F154 L169 I174 V197 V199 | P153-Y177 HydrophobicContact CG-CD1 4.23Å; P153-Y177 HydrophobicContact CG-CE1 3.79Å; P153-Y177 HydrophobicContact CG-CE2 4.28Å; F154-Y177 HydrophobicContact CE2-CD1 4.35Å; F154-Y177 HydrophobicContact CE2-CD2 4.05Å; F154-Y177 AromaticContact CE2-CG 3.81Å; F154-Y177 HydrophobicContact CE2-CG 3.81Å; F154-Y177 AromaticContact CZ-CD2 4Å; F154-Y177 HydrophobicContact CZ-CD2 4Å; F154-Y177 HydrophobicContact CZ-CG 4.25Å; L169-Y177 HydrophobicContact CD2-CE2 3.84Å; I174-Y177 HydrophobicContact CB-CE1 4.2Å; I174-Y177 HydrophobicContact CB-CE2 4.22Å; I174-Y177 HydrophobicContact CD1-CE1 3.84Å; I174-Y177 HydrophobicContact CG2-CD1 4.12Å; I174-Y177 HydrophobicContact CG2-CD2 4.28Å; I174-Y177 HydrophobicContact CG2-CE1 3.75Å; I174-Y177 HydrophobicContact CG2-CE2 3.92Å; I174-Y177 HydrophobicContact CG2-CG 4.37Å; Y177-V197 PolarHBondContact N-O 2.76Å; Y177-V197 PolarHBondContact O-N 2.88Å; Y177-V199 HydrophobicContact CD2-CG2 4.16Å; Y177-V199 HydrophobicContact CE2-CG2 3.81Å |
| 178 | D | 91.2 | Very high | 92.6 | Very high | 112 Ų | 112 | 51.3 Ų | 51.3 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.9 | 167.3 | -57.3 | -47.5 | 0 | 0 | 0 | 109.1 | Q146 | Q146-D178 PolarHBondContact NE2-O 3.41Å |
| 179 | V | 90.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 113.8 | -173.7 | -175 | 0 | 0 | 0 | 0 | 110.3 | L144 F154 L195 | L144-V179 HydrophobicContact CD1-CG1 4.39Å; L144-V179 HydrophobicContact CD2-CG1 3.93Å; L144-V179 HydrophobicContact CG-CG1 4.5Å; F154-V179 HydrophobicContact CD2-CG2 4.03Å; F154-V179 HydrophobicContact CE2-CG2 4.22Å; V179-L195 HydrophobicContact CB-CB 4.4Å; V179-L195 PolarHBondContact N-O 2.92Å; V179-L195 WeakPolarHBondContact O-CB 3.14Å; V179-L195 PolarHBondContact O-N 2.87Å |
| 180 | D | 91.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.9 | 169.8 | -72.7 | -33.1 | 0 | 0 | 0 | 110.4 | F145 S194 | F145-D180 HydrophobicContact CB-CB 4.35Å; F145-D180 HydrophobicContact CD1-CB 4.37Å; F145-D180 PolarHBondContact N-O 2.71Å; D180-S194 WeakPolarHBondContact OD1-CB 3.44Å; D180-S194 PolarHBondContact OD1-OG 3.5Å |
| 181 | V | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.6 | 178.3 | -166.4 | 0 | 0 | 0 | 0 | 108.8 | F105 V127 A143 L144 I156 I163 K192 C193 L195 | F105-V181 HydrophobicContact CZ-CB 4.35Å; F105-V181 HydrophobicContact CZ-CG1 4.15Å; V127-V181 HydrophobicContact CG2-CG1 4.14Å; A143-V181 WeakPolarHBondContact O-CG1 3.46Å; L144-V181 HydrophobicContact CD2-CG1 4.32Å; L144-V181 HydrophobicContact CD2-CG2 4Å; I156-V181 HydrophobicContact CD1-CG1 3.54Å; I163-V181 HydrophobicContact CD1-CG2 4.03Å; V181-K192 VanDerWaalsContact O-CA 3.27Å; V181-K192 WeakPolarHBondContact O-CA 3.44Å; V181-C193 PolarHBondContact N-O 2.9Å; V181-C193 PolarHBondContact O-N 2.69Å; V181-L195 HydrophobicContact CG2-CB 4.32Å |
| 182 | E | 94.3 | Very high | 92.5 | Very high | 34 Ų | 34 | 53 Ų | 53 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.9 | 178.5 | -179 | 165.8 | -131 | 0 | 0 | 110 | Y142 A143 F145 S190 G191 K192 | Y142-E182 WeakPolarHBondContact CA-O 3.43Å; A143-E182 PolarHBondContact N-O 3.21Å; A143-E182 PolarHBondContact O-N 2.94Å; F145-E182 HydrophobicContact CB-CB 3.9Å; F145-E182 WeakPolarHBondContact CD2-OE2 3.22Å; F145-E182 HydrophobicContact CG-CB 4.45Å; E182-S190 WeakPolarHBondContact OE1-CB 3.03Å; E182-S190 PolarHBondContact OE1-OG 2.82Å; E182-G191 WeakPolarHBondContact CA-O 3.43Å; E182-K192 HydrophobicContact CB-CG 4.33Å; E182-K192 HydrophobicContact CG-CG 4.34Å; E182-K192 WeakPolarHBondContact OE1-CE 3.36Å; E182-K192 IonicContact OE1-NZ 3.19Å; E182-K192 PolarHBondContact OE1-NZ 2.85Å; E182-K192 IonicContact OE2-NZ 3.57Å; E182-K192 PolarHBondContact OE2-NZ 2.86Å |
| 183 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | P103 F105 A129 V140 S141 Y142 S190 G191 | P103-A183 HydrophobicContact CB-CB 3.76Å; P103-A183 WeakPolarHBondContact CG-O 3.47Å; F105-A183 HydrophobicContact CD2-CB 4.31Å; F105-A183 HydrophobicContact CE1-CB 4.18Å; F105-A183 HydrophobicContact CE2-CB 3.46Å; F105-A183 VanDerWaalsContact CE2-CB 3.46Å; F105-A183 HydrophobicContact CZ-CB 3.4Å; A129-A183 HydrophobicContact CB-CB 3.49Å; A129-A183 VanDerWaalsContact CB-CB 3.49Å; V140-A183 HydrophobicContact CG1-CB 3.73Å; S141-A183 CarbonylContact O-C 3.59Å; S141-A183 WeakPolarHBondContact O-CA 3.43Å; Y142-A183 HydrophobicContact CD1-CB 4.03Å; Y142-A183 HydrophobicContact CE1-CB 4.08Å; A183-S190 CarbonylContact O-C 3.5Å; A183-S190 WeakPolarHBondContact O-CA 3.39Å; A183-S190 WeakPolarHBondContact O-CB 3.41Å; A183-G191 PolarHBondContact N-O 2.99Å; A183-G191 PolarHBondContact O-N 2.66Å |
| 184 | T | 95 | Very high | 92.6 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 24% | 0.239 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.3 | -176 | -51.8 | 0 | 0 | 0 | 0 | 110 | V140 S141 L189 S190 | V140-T184 CarbonylContact C-O 3.58Å; S141-T184 PolarHBondContact N-O 3.4Å; S141-T184 PolarHBondContact O-N 3.4Å; S141-T184 PolarHBondContact OG-O 3.07Å; T184-L189 WeakPolarHBondContact CA-O 3.21Å; T184-L189 WeakPolarHBondContact CG2-O 3.38Å; T184-S190 WeakPolarHBondContact OG1-CB 3.03Å |
| 185 | D | 94.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | trans | -75.8 | -170.9 | 178.2 | 65.5 | 34.5 | 0 | 0 | 0 | 113.2 | N99 P103 F137 G187 G188 L189 | N99-D185 PolarHBondContact ND2-OD2 2.91Å; N99-D185 PolarHBondContact OD1-OD1 3.11Å; P103-D185 HydrophobicContact CG-CB 3.91Å; F137-D185 WeakPolarHBondContact O-CB 3.27Å; D185-G187 WeakPolarHBondContact OD1-CA 3.16Å; D185-G187 PolarHBondContact OD1-N 3.01Å; D185-G188 PolarHBondContact OD1-N 3.35Å; D185-L189 VanDerWaalsContact CG-O 3.28Å; D185-L189 PolarHBondContact N-O 3.13Å; D185-L189 PolarHBondContact OD1-N 2.97Å; D185-L189 WeakPolarHBondContact OD2-CA 3.4Å; D185-L189 WeakPolarHBondContact OD2-CB 3.27Å; D185-L189 PolarHBondContact OD2-N 2.91Å | ||
| 186 | G | 89.4 | Confident | 92.7 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 52% | 0.515 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -86.2 | -3.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | S136 | S136-G186 VanDerWaalsContact O-CA 3.27Å; S136-G186 WeakPolarHBondContact O-CA 3.46Å; S136-G186 PolarHBondContact O-N 2.78Å |
| 187 | G | 88.2 | Confident | 92.8 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 52% | 0.515 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -103.6 | -19.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | N99 D185 | N99-G187 VanDerWaalsContact OD1-CA 3.23Å; N99-G187 WeakPolarHBondContact OD1-CA 3.34Å; N99-G187 PolarHBondContact OD1-N 2.89Å; D185-G187 WeakPolarHBondContact OD1-CA 3.16Å; D185-G187 PolarHBondContact OD1-N 3.01Å |
| 188 | G | 89.5 | Confident | 93 | Very high | 55 Ų | 55 | 39 Ų | 39 | 57% | 0.567 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 109.4 | 14.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | D185 | D185-G188 PolarHBondContact OD1-N 3.35Š|
| 189 | L | 92.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 34 Ų | 34 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | trans | -90.4 | 152.5 | 167.4 | -47 | 177.9 | 0 | 0 | 0 | 110.2 | N99 N101 V102 T184 D185 | N99-L189 WeakPolarHBondContact ND2-CD1 3.38Å; N101-L189 WeakPolarHBondContact O-CD1 3.3Å; V102-L189 HydrophobicContact CG1-CB 3.85Å; V102-L189 HydrophobicContact CG1-CD1 3.94Å; T184-L189 WeakPolarHBondContact CA-O 3.21Å; T184-L189 WeakPolarHBondContact CG2-O 3.38Å; D185-L189 VanDerWaalsContact CG-O 3.28Å; D185-L189 PolarHBondContact N-O 3.13Å; D185-L189 PolarHBondContact OD1-N 2.97Å; D185-L189 WeakPolarHBondContact OD2-CA 3.4Å; D185-L189 WeakPolarHBondContact OD2-CB 3.27Å; D185-L189 PolarHBondContact OD2-N 2.91Å | ||
| 190 | S | 94 | Very high | 93.4 | Very high | 47 Ų | 47 | 37.1 Ų | 37.1 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144.1 | -177.2 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | E182 A183 T184 | E182-S190 WeakPolarHBondContact OE1-CB 3.03Å; E182-S190 PolarHBondContact OE1-OG 2.82Å; A183-S190 CarbonylContact O-C 3.5Å; A183-S190 WeakPolarHBondContact O-CA 3.39Å; A183-S190 WeakPolarHBondContact O-CB 3.41Å; T184-S190 WeakPolarHBondContact OG1-CB 3.03Å |
| 191 | G | 93.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 164.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P103 E182 A183 | P103-G191 WeakPolarHBondContact O-CA 3.17Å; E182-G191 WeakPolarHBondContact CA-O 3.43Å; A183-G191 PolarHBondContact N-O 2.99Å; A183-G191 PolarHBondContact O-N 2.66Å |
| 192 | K | 93.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 37.4 Ų | 37.4 | 41% | 0.409 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.1 | -178.3 | -55.9 | -169.2 | -171.7 | -124.5 | 0 | 112 | F145 V181 E182 | F145-K192 HydrophobicContact CD1-CD 4.26Å; F145-K192 VanDerWaalsContact CG-NZ 3.25Å; V181-K192 VanDerWaalsContact O-CA 3.27Å; V181-K192 WeakPolarHBondContact O-CA 3.44Å; E182-K192 HydrophobicContact CB-CG 4.33Å; E182-K192 HydrophobicContact CG-CG 4.34Å; E182-K192 WeakPolarHBondContact OE1-CE 3.36Å; E182-K192 IonicContact OE1-NZ 3.19Å; E182-K192 PolarHBondContact OE1-NZ 2.85Å; E182-K192 IonicContact OE2-NZ 3.57Å; E182-K192 PolarHBondContact OE2-NZ 2.86Å |
| 193 | C | 94.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 154.7 | 166.7 | 65.3 | 0 | 0 | 0 | 0 | 109.4 | F105 Q107 E108 Y110 V181 | F105-C193 HydrophobicContact CB-CB 3.97Å; F105-C193 HydrophobicContact CD1-CB 4.21Å; F105-C193 WeakPolarHBondContact CD1-SG 3.36Å; F105-C193 HydrophobicContact CD2-CB 3.82Å; F105-C193 VanDerWaalsContact CE1-SG 3.51Å; F105-C193 HydrophobicContact CE2-CB 4.31Å; F105-C193 HydrophobicContact CG-CB 3.75Å; Q107-C193 WeakPolarHBondContact O-CB 3.41Å; E108-C193 WeakPolarHBondContact O-CA 3.36Å; E108-C193 WeakPolarHBondContact O-CB 3.46Å; Y110-C193 HydrophobicContact CD2-CB 4.17Å; Y110-C193 HydrophobicContact CE2-CB 4.04Å; Y110-C193 VanDerWaalsContact CE2-SG 3.58Å; V181-C193 PolarHBondContact N-O 2.9Å; V181-C193 PolarHBondContact O-N 2.69Å |
| 194 | S | 93.7 | Very high | 93.5 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 145.5 | 172.6 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | E108 L109 Y110 D180 | E108-S194 PolarHBondContact O-N 3.2Å; L109-S194 WeakPolarHBondContact CA-O 3.49Å; Y110-S194 PolarHBondContact N-O 3.32Å; D180-S194 WeakPolarHBondContact OD1-CB 3.44Å; D180-S194 PolarHBondContact OD1-OG 3.5Å |
| 195 | L | 93.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.6 | 175.3 | 166.2 | 64.1 | 0 | 0 | 0 | 108.9 | Y110 A112 I125 I163 V179 V181 V197 | Y110-L195 WeakPolarHBondContact O-CA 3.36Å; A112-L195 HydrophobicContact CB-CD1 4.21Å; I125-L195 HydrophobicContact CD1-CD1 4.32Å; I125-L195 HydrophobicContact CG2-CD1 4Å; I125-L195 HydrophobicContact CG2-CD2 3.85Å; I163-L195 HydrophobicContact CD1-CD2 3.54Å; I163-L195 HydrophobicContact CG2-CD2 4.43Å; V179-L195 HydrophobicContact CB-CB 4.4Å; V179-L195 PolarHBondContact N-O 2.92Å; V179-L195 WeakPolarHBondContact O-CB 3.14Å; V179-L195 PolarHBondContact O-N 2.87Å; V181-L195 HydrophobicContact CG2-CB 4.32Å; L195-V197 HydrophobicContact CD1-CG2 4.18Å; L195-V197 HydrophobicContact CD2-CG2 3.91Å; L195-V197 HydrophobicContact CG-CG2 3.82Å |
| 196 | V | 94 | Very high | 93.5 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 113 | 171.1 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | L109 Y110 E111 A112 R198 | L109-V196 HydrophobicContact CD1-CG2 3.8Å; Y110-V196 PolarHBondContact O-N 2.89Å; E111-V196 WeakPolarHBondContact CA-O 3.32Å; E111-V196 HydrophobicContact CG-CB 4.41Å; A112-V196 PolarHBondContact N-O 2.77Å; V196-R198 HydrophobicContact CG1-CG 4.17Å |
| 197 | V | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.4 | 172.3 | -169.5 | 0 | 0 | 0 | 0 | 108.6 | A112 V114 V124 F154 S176 Y177 L195 | A112-V197 HydrophobicContact CB-CG1 4.43Å; A112-V197 HydrophobicContact CB-CG2 4.46Å; V114-V197 HydrophobicContact CB-CG1 4.3Å; V114-V197 HydrophobicContact CG2-CG1 3.65Å; V124-V197 HydrophobicContact CG1-CG1 4.18Å; V124-V197 HydrophobicContact CG1-CG2 4.25Å; F154-V197 HydrophobicContact CE1-CG1 4.14Å; F154-V197 HydrophobicContact CE1-CG2 4.38Å; F154-V197 HydrophobicContact CE2-CB 4.24Å; F154-V197 HydrophobicContact CE2-CG2 4.01Å; F154-V197 HydrophobicContact CZ-CB 3.83Å; F154-V197 HydrophobicContact CZ-CG1 3.72Å; F154-V197 HydrophobicContact CZ-CG2 3.85Å; S176-V197 CarbonylContact C-O 3.6Å; S176-V197 WeakPolarHBondContact CA-O 3.22Å; Y177-V197 PolarHBondContact N-O 2.76Å; Y177-V197 PolarHBondContact O-N 2.88Å; L195-V197 HydrophobicContact CD1-CG2 4.18Å; L195-V197 HydrophobicContact CD2-CG2 3.91Å; L195-V197 HydrophobicContact CG-CG2 3.82Å |
| 198 | R | 95.5 | Very high | 94.1 | Very high | 105 Ų | 105 | 44.8 Ų | 44.8 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.5 | 174 | -56.7 | 179.4 | -175.9 | -75.2 | -5.4 | 108.7 | E111 A112 Q113 V114 V196 | E111-R198 IonicContact OE1-CZ 3.52Å; E111-R198 IonicContact OE1-NE 3.39Å; E111-R198 PolarHBondContact OE1-NE 3.47Å; E111-R198 IonicContact OE1-NH2 2.74Å; E111-R198 PolarHBondContact OE1-NH2 2.82Å; A112-R198 PolarHBondContact O-N 3.31Å; Q113-R198 WeakPolarHBondContact CA-O 3.26Å; Q113-R198 HydrophobicContact CG-CB 4.39Å; V114-R198 PolarHBondContact N-O 3.17Å; V196-R198 HydrophobicContact CG1-CG 4.17Å |
| 199 | V | 95.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 143.3 | 172.3 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | V114 E116 L169 F171 I174 Q175 Y177 | V114-V199 CarbonylContact O-C 3.52Å; V114-V199 WeakPolarHBondContact O-CA 3.34Å; E116-V199 HydrophobicContact CB-CG1 3.8Å; L169-V199 HydrophobicContact CB-CG1 4.29Å; L169-V199 HydrophobicContact CD1-CG1 4.45Å; L169-V199 HydrophobicContact CD1-CG2 4.21Å; F171-V199 HydrophobicContact CB-CG1 4.06Å; F171-V199 HydrophobicContact CD2-CB 3.96Å; F171-V199 HydrophobicContact CD2-CG1 4Å; F171-V199 WeakPolarHBondContact CE2-O 3.46Å; I174-V199 WeakPolarHBondContact O-CG2 3.43Å; Q175-V199 PolarHBondContact O-N 2.88Å; Y177-V199 HydrophobicContact CD2-CG2 4.16Å; Y177-V199 HydrophobicContact CE2-CG2 3.81Å |
| 200 | L | 94.8 | Very high | 94.4 | Very high | 67 Ų | 67 | 43 Ų | 43 | 35% | 0.351 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.1 | 172.9 | -59.2 | 179.5 | 0 | 0 | 0 | 109.5 | Q113 V114 P115 E116 V202 | Q113-L200 HydrophobicContact CB-CD1 4.02Å; Q113-L200 HydrophobicContact CB-CD2 4.34Å; Q113-L200 HydrophobicContact CB-CG 4.18Å; V114-L200 PolarHBondContact O-N 2.78Å; P115-L200 WeakPolarHBondContact CA-O 3.16Å; P115-L200 HydrophobicContact CG-CD1 4.47Å; E116-L200 PolarHBondContact N-O 2.93Å; L200-V202 PolarHBondContact O-N 2.7Å |
| 201 | D | 94.9 | Very high | 94.5 | Very high | 40 Ų | 40 | 43.7 Ų | 43.7 | 21% | 0.214 | 23% | 0.234 | C | C | . | . | trans | -41.9 | 123.7 | 166.7 | 168.2 | 5.7 | 0 | 0 | 0 | 112.5 | E116 F171 S237 N240 | E116-D201 VanDerWaalsContact OE1-CA 3.29Å; E116-D201 WeakPolarHBondContact OE1-CA 3.41Å; F171-D201 HydrophobicContact CD1-CB 3.96Å; F171-D201 HydrophobicContact CD2-CB 4.13Å; F171-D201 HydrophobicContact CE1-CB 3.95Å; F171-D201 HydrophobicContact CE2-CB 4.12Å; F171-D201 HydrophobicContact CG-CB 4.06Å; F171-D201 HydrophobicContact CZ-CB 4.04Å; D201-S237 VanDerWaalsContact OD2-CA 3.25Å; D201-S237 WeakPolarHBondContact OD2-CA 3.17Å; D201-S237 WeakPolarHBondContact OD2-CB 3.08Å; D201-S237 PolarHBondContact OD2-N 3.13Å; D201-S237 VanDerWaalsContact OD2-N 3.14Å; D201-S237 VanDerWaalsContact OD2-O 3.13Å; D201-N240 PolarHBondContact OD1-ND2 2.84Å | ||
| 202 | V | 94.8 | Very high | 94.5 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | trans | -127 | 124.3 | 171.5 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | P115 E116 L200 D204 | P115-V202 HydrophobicContact CB-CG2 3.92Å; E116-V202 HydrophobicContact CG-CB 4.36Å; E116-V202 HydrophobicContact CG-CG2 4.49Å; E116-V202 PolarHBondContact OE1-N 2.9Å; L200-V202 PolarHBondContact O-N 2.7Å; V202-D204 PolarHBondContact O-N 2.8Å | ||
| 203 | N | 95.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -55.5 | 95.2 | 179.6 | -161.1 | 141.1 | 0 | 0 | 0 | 112.6 | N205 D236 N240 D287 G289 | N203-N205 PolarHBondContact ND2-O 3.35Å; N203-D236 WeakPolarHBondContact CA-OD2 3.42Å; N203-D236 PolarHBondContact ND2-OD2 3.15Å; N203-D236 VanDerWaalsContact ND2-OD2 3.15Å; N203-N240 HydrophobicContact CB-CB 3.83Å; N203-N240 PolarHBondContact N-ND2 3.29Å; N203-N240 VanDerWaalsContact N-ND2 3.19Å; N203-D287 PolarHBondContact ND2-OD2 2.74Å; N203-D287 PolarHBondContact OD1-OD2 3.18Å; N203-G289 WeakPolarHBondContact OD1-CA 3.21Å; N203-G289 PolarHBondContact OD1-N 3.03Å; N203-G289 VanDerWaalsContact OD1-N 3.14Å |
| 204 | D | 93.9 | Very high | 94.6 | Very high | 103 Ų | 103 | 50.7 Ų | 50.7 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | trans | -131.2 | -18.5 | 179.2 | 99.1 | -17.6 | 0 | 0 | 0 | 113.5 | V202 L293 | V202-D204 PolarHBondContact O-N 2.8Å; D204-L293 WeakPolarHBondContact O-CD1 3.28Å | ||
| 205 | N | 93.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 51 Ų | 51 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -75.1 | 150.7 | 161.4 | -57.7 | -84.3 | 0 | 0 | 0 | 110.4 | N203 A235 D236 L293 | N203-N205 PolarHBondContact ND2-O 3.35Å; N205-A235 HydrophobicContact CB-CB 3.97Å; N205-D236 WeakPolarHBondContact CB-OD1 3.27Å; N205-D236 PolarHBondContact N-OD1 2.98Å; N205-D236 PolarHBondContact ND2-OD1 2.65Å; N205-L293 VanDerWaalsContact O-CD1 3.32Å; N205-L293 WeakPolarHBondContact O-CD1 3.27Å |
| 206 | A | 94.8 | Very high | 94.6 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | trans | -114.3 | 141 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | E208 L293 | A206-E208 PolarHBondContact O-N 3.19Å; A206-L293 HydrophobicContact CB-CB 4.02Å; A206-L293 HydrophobicContact CB-CD1 4.47Å | ||
| 207 | P | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -52.8 | 124.2 | -174.6 | -22.4 | 21 | 0 | 0 | 0 | 113.7 | V232 D234 V243 V285 D287 T295 | P207-V232 HydrophobicContact CB-CG1 4.21Å; P207-D234 WeakPolarHBondContact CA-OD2 3.41Å; P207-D234 WeakPolarHBondContact CD-OD2 3.24Å; P207-D234 WeakPolarHBondContact CG-OD2 3.18Å; P207-V243 HydrophobicContact CB-CG1 3.95Å; P207-V243 HydrophobicContact CG-CG1 4Å; P207-V285 HydrophobicContact CB-CB 4.2Å; P207-V285 HydrophobicContact CB-CG1 3.4Å; P207-V285 VanDerWaalsContact CB-CG1 3.4Å; P207-V285 HydrophobicContact CG-CG1 3.9Å; P207-D287 HydrophobicContact CG-CB 4.06Å; P207-T295 WeakPolarHBondContact O-CB 2.92Å; P207-T295 PolarHBondContact O-OG1 3.39Å | ||
| 208 | E | 94.2 | Very high | 94.7 | Very high | 124 Ų | 124 | 57.7 Ų | 57.7 | 58% | 0.579 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 138.1 | 173.4 | -172.9 | 170.3 | -150.8 | 0 | 0 | 111 | A206 V232 S233 | A206-E208 PolarHBondContact O-N 3.19Å; E208-V232 WeakPolarHBondContact O-CA 3.36Å; E208-S233 PolarHBondContact N-O 2.69Å; E208-S233 PolarHBondContact O-N 3.03Å |
| 209 | L | 94.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114 | 175.9 | -175.8 | 157.5 | 0 | 0 | 0 | 109.8 | M211 F230 I283 V285 Q297 | L209-M211 HydrophobicContact CD2-CG 4.11Å; L209-F230 HydrophobicContact CD1-CD2 3.8Å; L209-F230 HydrophobicContact CD1-CE2 3.83Å; L209-F230 HydrophobicContact CD2-CB 4.18Å; L209-F230 HydrophobicContact CD2-CD2 4.22Å; L209-F230 HydrophobicContact CD2-CG 4.35Å; L209-F230 HydrophobicContact CG-CD2 3.73Å; L209-F230 HydrophobicContact CG-CE2 4.26Å; L209-F230 HydrophobicContact CG-CG 4.36Å; L209-I283 HydrophobicContact CD1-CB 4.15Å; L209-I283 HydrophobicContact CD1-CG2 3.66Å; L209-V285 HydrophobicContact CD1-CG2 3.9Å; L209-Q297 HydrophobicContact CD1-CB 4.2Å; L209-Q297 HydrophobicContact CD2-CB 4.25Å; L209-Q297 HydrophobicContact CD2-CG 4.33Å |
| 210 | T | 94.7 | Very high | 94.5 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 110.5 | 178.1 | -70.5 | 0 | 0 | 0 | 0 | 111 | S212 F230 S231 | T210-S212 PolarHBondContact O-N 3.14Å; T210-F230 CarbonylContact O-C 3.49Å; T210-F230 VanDerWaalsContact O-CA 3.25Å; T210-F230 WeakPolarHBondContact O-CA 3.29Å; T210-F230 WeakPolarHBondContact O-CB 3.2Å; T210-S231 PolarHBondContact N-O 2.79Å; T210-S231 PolarHBondContact O-N 2.81Å |
| 211 | M | 94.8 | Very high | 94.3 | Very high | 61 Ų | 61 | 55 Ų | 55 | 30% | 0.3 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 116.8 | 173.5 | -92.5 | -71.4 | 166.6 | 0 | 0 | 111.3 | L209 F214 A228 F230 I283 I299 | L209-M211 HydrophobicContact CD2-CG 4.11Å; M211-F214 HydrophobicContact SD-CB 4.39Å; M211-A228 HydrophobicContact CE-CB 3.76Å; M211-A228 HydrophobicContact SD-CB 3.98Å; M211-F230 HydrophobicContact CE-CB 3.95Å; M211-F230 HydrophobicContact CE-CD1 3.6Å; M211-F230 HydrophobicContact CE-CE1 4.38Å; M211-F230 HydrophobicContact CE-CG 4.01Å; M211-F230 HydrophobicContact CG-CB 4.35Å; M211-F230 HydrophobicContact SD-CB 3.9Å; M211-F230 HydrophobicContact SD-CD1 4.44Å; M211-I283 HydrophobicContact CE-CD1 3.59Å; M211-I299 HydrophobicContact CE-CD1 4.43Å |
| 212 | S | 93.5 | Very high | 94 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 53% | 0.531 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -31 | 176.1 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | T210 V229 | T210-S212 PolarHBondContact O-N 3.14Å; S212-V229 WeakPolarHBondContact CA-O 3.16Å; S212-V229 WeakPolarHBondContact CB-O 3.25Å; S212-V229 PolarHBondContact N-O 2.93Å |
| 213 | F | 94.2 | Very high | 93.8 | Very high | 102 Ų | 102 | 60 Ų | 60 | 45% | 0.447 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 140.3 | -178.8 | 179.3 | -103.2 | 0 | 0 | 0 | 110.7 | I215 A228 V229 | F213-I215 HydrophobicContact CE1-CD1 3.81Å; F213-I215 HydrophobicContact CE1-CG1 3.6Å; F213-I215 HydrophobicContact CE2-CG1 4.47Å; F213-I215 HydrophobicContact CZ-CD1 3.71Å; F213-I215 HydrophobicContact CZ-CG1 3.5Å; F213-A228 CarbonylContact O-C 3.6Å; F213-A228 WeakPolarHBondContact O-CA 3.2Å; F213-A228 WeakPolarHBondContact O-CB 3.2Å; F213-V229 HydrophobicContact CB-CB 4.1Å; F213-V229 HydrophobicContact CB-CG2 4.35Å; F213-V229 HydrophobicContact CD1-CG2 4.35Å; F213-V229 PolarHBondContact N-O 2.87Å; F213-V229 PolarHBondContact O-N 3.2Å |
| 214 | F | 95.5 | Very high | 93.4 | Very high | 81 Ų | 81 | 65.1 Ų | 65.1 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 133.7 | 177.1 | 171.9 | -125.2 | 0 | 0 | 0 | 111.1 | M211 A228 I299 T300 V301 | M211-F214 HydrophobicContact SD-CB 4.39Å; F214-A228 HydrophobicContact CD2-CB 4.17Å; F214-I299 HydrophobicContact CD2-CD1 4.22Å; F214-I299 HydrophobicContact CE2-CB 4.02Å; F214-I299 HydrophobicContact CE2-CD1 3.93Å; F214-I299 HydrophobicContact CE2-CG1 4.39Å; F214-I299 HydrophobicContact CZ-CB 4.06Å; F214-T300 WeakPolarHBondContact CZ-O 3.33Å; F214-V301 HydrophobicContact CE2-CG2 4.15Å |
| 215 | I | 94.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 61.5 Ų | 61.5 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | trans | -110.5 | 117.2 | 169.3 | -53.8 | 177.1 | 0 | 0 | 0 | 108.3 | F213 L217 I218 V227 | F213-I215 HydrophobicContact CE1-CD1 3.81Å; F213-I215 HydrophobicContact CE1-CG1 3.6Å; F213-I215 HydrophobicContact CE2-CG1 4.47Å; F213-I215 HydrophobicContact CZ-CD1 3.71Å; F213-I215 HydrophobicContact CZ-CG1 3.5Å; I215-L217 WeakPolarHBondContact CG2-O 3.27Å; I215-I218 HydrophobicContact CB-CG2 4.1Å; I215-I218 HydrophobicContact CG2-CG2 3.68Å; I215-V227 PolarHBondContact N-O 3.2Å | ||
| 216 | S | 94.3 | Very high | 93.4 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -83.3 | -14 | 177.2 | 61 | 0 | 0 | 0 | 0 | 114.4 | Q302 | S216-Q302 PolarHBondContact O-N 2.8Š|
| 217 | L | 95.4 | Very high | 93.4 | Very high | 94 Ų | 94 | 59.4 Ų | 59.4 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 110.7 | -177 | -174.6 | 67.8 | 0 | 0 | 0 | 110.2 | I215 Q302 | I215-L217 WeakPolarHBondContact CG2-O 3.27Å; L217-Q302 WeakPolarHBondContact CA-O 3.11Å; L217-Q302 HydrophobicContact CD1-CB 3.86Å |
| 218 | I | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.8 | -176.4 | 57.1 | 178.1 | 0 | 0 | 0 | 111.3 | I215 I225 V227 F253 T267 L271 V301 Q302 V303 S304 | I215-I218 HydrophobicContact CB-CG2 4.1Å; I215-I218 HydrophobicContact CG2-CG2 3.68Å; I218-I225 HydrophobicContact CB-CD1 4.14Å; I218-I225 HydrophobicContact CB-CG2 4.43Å; I218-I225 HydrophobicContact CG2-CG2 4.03Å; I218-V227 HydrophobicContact CD1-CG2 3.95Å; I218-F253 HydrophobicContact CD1-CE1 4.33Å; I218-T267 HydrophobicContact CD1-CG2 3.99Å; I218-L271 HydrophobicContact CD1-CD1 3.6Å; I218-L271 HydrophobicContact CG1-CD1 4.31Å; I218-V301 HydrophobicContact CD1-CG1 3.5Å; I218-V301 HydrophobicContact CG1-CG1 3.78Å; I218-Q302 PolarHBondContact N-O 3.37Å; I218-V303 CarbonylContact O-C 3.59Å; I218-V303 WeakPolarHBondContact O-CA 3.33Å; I218-S304 PolarHBondContact O-N 3.19Å; I218-S304 PolarHBondContact O-OG 3.33Å |
| 219 | P | 93.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 146.5 | 175.1 | 30.3 | -36.5 | 0 | 0 | 0 | 111.7 | L222 I225 S304 V306 | P219-L222 HydrophobicContact CG-CD1 3.82Å; P219-L222 HydrophobicContact CG-CG 4.43Å; P219-I225 HydrophobicContact CG-CD1 4.26Å; P219-I225 WeakPolarHBondContact O-CD1 3.24Å; P219-S304 VanDerWaalsContact CA-OG 3.25Å; P219-S304 WeakPolarHBondContact CA-OG 3.07Å; P219-V306 HydrophobicContact CB-CG2 4.21Å |
| 220 | E | 93.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -73.6 | -179.1 | 166.2 | 64.6 | -160 | 128.3 | 0 | 0 | 112.9 | L222 L271 R273 V303 S304 D305 V306 | E220-L222 PolarHBondContact O-N 2.78Å; E220-L271 WeakPolarHBondContact CB-O 3.48Å; E220-R273 WeakPolarHBondContact OE2-CB 3.32Å; E220-R273 PolarHBondContact OE2-N 2.85Å; E220-V303 HydrophobicContact CB-CG1 3.61Å; E220-S304 PolarHBondContact N-O 2.71Å; E220-D305 WeakPolarHBondContact OE1-CA 3.21Å; E220-V306 HydrophobicContact CG-CB 3.77Å; E220-V306 HydrophobicContact CG-CG2 3.86Å; E220-V306 PolarHBondContact OE1-N 3.38Å |
| 221 | N | 90.3 | Very high | 93.5 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 60.4 | -12.6 | -179.9 | -81.9 | -63 | 0 | 0 | 0 | 116.8 | L271 D308 | N221-L271 PolarHBondContact N-O 2.84Å; N221-D308 PolarHBondContact ND2-OD2 2.68Å |
| 222 | L | 89.3 | Confident | 93.5 | Very high | 96 Ų | 96 | 49.5 Ų | 49.5 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | trans | -92.9 | 123.8 | 174.6 | -59.6 | -172.8 | 0 | 0 | 0 | 111.6 | P219 E220 I225 | P219-L222 HydrophobicContact CG-CD1 3.82Å; P219-L222 HydrophobicContact CG-CG 4.43Å; E220-L222 PolarHBondContact O-N 2.78Å; L222-I225 HydrophobicContact CB-CD1 3.95Å; L222-I225 HydrophobicContact CB-CG1 3.99Å | ||
| 223 | P | 88.8 | Confident | 93.5 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -82.2 | 161.6 | 172.3 | 34.6 | -35.4 | 0 | 0 | 0 | 112.3 | I225 | P223-I225 VanDerWaalsContact C-N 3.3Å; P223-I225 PolarHBondContact O-N 3.03Å |
| 224 | E | 88.5 | Confident | 93.5 | Very high | 114 Ų | 114 | 44.3 Ų | 44.3 | 53% | 0.533 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 55.1 | 34.2 | 174 | -58.2 | -164.1 | -126.8 | 0 | 0 | 115.6 | T226 R256 T267 | E224-T226 PolarHBondContact O-N 3.04Å; E224-R256 IonicContact OE2-CZ 2.78Å; E224-R256 IonicContact OE2-NH1 3.35Å; E224-R256 PolarHBondContact OE2-NH1 2.81Å; E224-R256 IonicContact OE2-NH2 3.53Å; E224-R256 PolarHBondContact OE2-NH2 3.39Å; E224-T267 PolarHBondContact N-OG1 2.77Å; E224-T267 VanDerWaalsContact N-OG1 3.14Å |
| 225 | I | 92.9 | Very high | 93.5 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.138 | 25% | 0.252 | C | S | . | . | trans | -69.4 | 125.5 | 174.2 | -53.6 | 172.2 | 0 | 0 | 0 | 109.2 | I218 P219 L222 P223 V227 V266 T267 | I218-I225 HydrophobicContact CB-CD1 4.14Å; I218-I225 HydrophobicContact CB-CG2 4.43Å; I218-I225 HydrophobicContact CG2-CG2 4.03Å; P219-I225 HydrophobicContact CG-CD1 4.26Å; P219-I225 WeakPolarHBondContact O-CD1 3.24Å; L222-I225 HydrophobicContact CB-CD1 3.95Å; L222-I225 HydrophobicContact CB-CG1 3.99Å; P223-I225 VanDerWaalsContact C-N 3.3Å; P223-I225 PolarHBondContact O-N 3.03Å; I225-V227 PolarHBondContact O-N 3.14Å; I225-V266 CarbonylContact O-C 3.53Å; I225-V266 WeakPolarHBondContact O-CA 3.49Å; I225-T267 HydrophobicContact CB-CG2 4.23Å; I225-T267 PolarHBondContact N-OG1 2.83Å; I225-T267 PolarHBondContact O-N 3.07Å | ||
| 226 | T | 94.4 | Very high | 93.5 | Very high | 58 Ų | 58 | 40 Ų | 40 | 36% | 0.356 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 108.2 | 165.7 | -62.6 | 0 | 0 | 0 | 0 | 110 | E224 V229 T264 | E224-T226 PolarHBondContact O-N 3.04Å; T226-V229 HydrophobicContact CG2-CG2 3.9Å; T226-T264 HydrophobicContact CG2-CG2 3.68Å |
| 227 | V | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -41.2 | -179.4 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | I215 I218 I225 F253 L265 T267 V301 | I215-V227 PolarHBondContact N-O 3.2Å; I218-V227 HydrophobicContact CD1-CG2 3.95Å; I225-V227 PolarHBondContact O-N 3.14Å; V227-F253 HydrophobicContact CG2-CD1 4.04Å; V227-F253 HydrophobicContact CG2-CE1 3.96Å; V227-L265 HydrophobicContact CB-CD2 4.44Å; V227-L265 HydrophobicContact CB-CG 4.48Å; V227-L265 PolarHBondContact N-O 2.82Å; V227-T267 HydrophobicContact CG2-CG2 4.1Å; V227-V301 HydrophobicContact CG1-CG1 4.01Å; V227-V301 HydrophobicContact CG1-CG2 3.62Å |
| 228 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 154.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M211 F213 F214 L265 I299 | M211-A228 HydrophobicContact CE-CB 3.76Å; M211-A228 HydrophobicContact SD-CB 3.98Å; F213-A228 CarbonylContact O-C 3.6Å; F213-A228 WeakPolarHBondContact O-CA 3.2Å; F213-A228 WeakPolarHBondContact O-CB 3.2Å; F214-A228 HydrophobicContact CD2-CB 4.17Å; A228-L265 HydrophobicContact CB-CB 4.14Å; A228-L265 HydrophobicContact CB-CD2 4.44Å; A228-L265 PolarHBondContact N-O 3.21Å; A228-L265 PolarHBondContact O-N 3.06Å; A228-I299 HydrophobicContact CB-CD1 4.46Å |
| 229 | V | 95.2 | Very high | 92.7 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129 | 170.2 | -173 | 0 | 0 | 0 | 0 | 108.4 | S212 F213 T226 Y263 T264 | S212-V229 WeakPolarHBondContact CA-O 3.16Å; S212-V229 WeakPolarHBondContact CB-O 3.25Å; S212-V229 PolarHBondContact N-O 2.93Å; F213-V229 HydrophobicContact CB-CB 4.1Å; F213-V229 HydrophobicContact CB-CG2 4.35Å; F213-V229 HydrophobicContact CD1-CG2 4.35Å; F213-V229 PolarHBondContact N-O 2.87Å; F213-V229 PolarHBondContact O-N 3.2Å; T226-V229 HydrophobicContact CG2-CG2 3.9Å; V229-Y263 WeakPolarHBondContact CA-O 3.42Å; V229-T264 HydrophobicContact CG2-CG2 4.3Å |
| 230 | F | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.4 | 180 | 59.5 | -82.4 | 0 | 0 | 0 | 111.2 | L209 T210 M211 V232 C245 L255 F262 Y263 I283 | L209-F230 HydrophobicContact CD1-CD2 3.8Å; L209-F230 HydrophobicContact CD1-CE2 3.83Å; L209-F230 HydrophobicContact CD2-CB 4.18Å; L209-F230 HydrophobicContact CD2-CD2 4.22Å; L209-F230 HydrophobicContact CD2-CG 4.35Å; L209-F230 HydrophobicContact CG-CD2 3.73Å; L209-F230 HydrophobicContact CG-CE2 4.26Å; L209-F230 HydrophobicContact CG-CG 4.36Å; T210-F230 CarbonylContact O-C 3.49Å; T210-F230 VanDerWaalsContact O-CA 3.25Å; T210-F230 WeakPolarHBondContact O-CA 3.29Å; T210-F230 WeakPolarHBondContact O-CB 3.2Å; M211-F230 HydrophobicContact CE-CB 3.95Å; M211-F230 HydrophobicContact CE-CD1 3.6Å; M211-F230 HydrophobicContact CE-CE1 4.38Å; M211-F230 HydrophobicContact CE-CG 4.01Å; M211-F230 HydrophobicContact CG-CB 4.35Å; M211-F230 HydrophobicContact SD-CB 3.9Å; M211-F230 HydrophobicContact SD-CD1 4.44Å; F230-V232 HydrophobicContact CD2-CG2 3.99Å; F230-V232 HydrophobicContact CE2-CG2 3.94Å; F230-C245 VanDerWaalsContact CZ-SG 3.59Å; F230-L255 HydrophobicContact CE1-CD2 3.8Å; F230-L255 HydrophobicContact CZ-CD2 3.68Å; F230-F262 CarbonylContact O-C 3.59Å; F230-F262 WeakPolarHBondContact O-CA 3.09Å; F230-Y263 HydrophobicContact CE2-CD2 4.01Å; F230-Y263 HydrophobicContact CE2-CG 4.05Å; F230-Y263 VanDerWaalsContact CZ-CB 3.44Å; F230-Y263 HydrophobicContact CZ-CG 4.09Å; F230-Y263 PolarHBondContact N-O 2.96Å; F230-Y263 PolarHBondContact O-N 3.29Å; F230-I283 HydrophobicContact CD1-CD1 4.22Å; F230-I283 HydrophobicContact CE1-CD1 3.79Å; F230-I283 HydrophobicContact CE1-CG2 4.46Å; F230-I283 HydrophobicContact CE2-CG2 3.98Å; F230-I283 HydrophobicContact CZ-CD1 4.08Å; F230-I283 HydrophobicContact CZ-CG2 3.67Å |
| 231 | S | 95 | Very high | 92.4 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 154.4 | 165.9 | 50.4 | 0 | 0 | 0 | 0 | 110.1 | T210 | T210-S231 PolarHBondContact N-O 2.79Å; T210-S231 PolarHBondContact O-N 2.81Å |
| 232 | V | 95 | Very high | 92.4 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.4 | 167.2 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | P207 E208 F230 V243 N261 Y263 V285 | P207-V232 HydrophobicContact CB-CG1 4.21Å; E208-V232 WeakPolarHBondContact O-CA 3.36Å; F230-V232 HydrophobicContact CD2-CG2 3.99Å; F230-V232 HydrophobicContact CE2-CG2 3.94Å; V232-V243 HydrophobicContact CB-CG2 4.15Å; V232-V243 HydrophobicContact CG1-CB 3.94Å; V232-V243 HydrophobicContact CG1-CG1 3.87Å; V232-V243 HydrophobicContact CG1-CG2 3.66Å; V232-N261 PolarHBondContact N-O 2.85Å; V232-N261 WeakPolarHBondContact O-CB 3.42Å; V232-Y263 HydrophobicContact CB-CE2 4.37Å; V232-Y263 HydrophobicContact CG2-CD2 3.95Å; V232-Y263 HydrophobicContact CG2-CE2 3.96Å; V232-V285 HydrophobicContact CG1-CG1 3.54Å; V232-V285 HydrophobicContact CG1-CG2 4.36Å; V232-V285 HydrophobicContact CG2-CG1 4.4Å; V232-V285 HydrophobicContact CG2-CG2 3.88Å |
| 233 | S | 93.1 | Very high | 92.6 | Very high | 53 Ų | 53 | 42 Ų | 42 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.5 | 176.9 | 43.4 | 0 | 0 | 0 | 0 | 109.8 | E208 | E208-S233 PolarHBondContact N-O 2.69Å; E208-S233 PolarHBondContact O-N 3.03Å |
| 234 | D | 94.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | -133.7 | 144.6 | 173.3 | -147 | -35.2 | 0 | 0 | 0 | 108.8 | P207 Q241 V243 | P207-D234 WeakPolarHBondContact CA-OD2 3.41Å; P207-D234 WeakPolarHBondContact CD-OD2 3.24Å; P207-D234 WeakPolarHBondContact CG-OD2 3.18Å; D234-Q241 HydrophobicContact CB-CG 4.03Å; D234-Q241 PolarHBondContact O-NE2 3.23Å; D234-Q241 VanDerWaalsContact O-NE2 3.08Å; D234-V243 HydrophobicContact CB-CG1 4.15Å | ||
| 235 | A | 93.9 | Very high | 93 | Very high | 50 Ų | 50 | 37.5 Ų | 37.5 | 41% | 0.413 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -88.2 | -33.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E172 N205 | E172-A235 HydrophobicContact CG-CB 4.13Å; N205-A235 HydrophobicContact CB-CB 3.97Å |
| 236 | D | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -54.7 | 174.1 | 174.1 | -56.6 | -17.5 | 0 | 0 | 0 | 112 | N203 N205 N240 Q241 | N203-D236 WeakPolarHBondContact CA-OD2 3.42Å; N203-D236 PolarHBondContact ND2-OD2 3.15Å; N203-D236 VanDerWaalsContact ND2-OD2 3.15Å; N205-D236 WeakPolarHBondContact CB-OD1 3.27Å; N205-D236 PolarHBondContact N-OD1 2.98Å; N205-D236 PolarHBondContact ND2-OD1 2.65Å; D236-N240 HydrophobicContact CB-CB 3.55Å; D236-Q241 WeakPolarHBondContact O-CB 3.46Å; D236-Q241 WeakPolarHBondContact O-CG 3.32Å; D236-Q241 PolarHBondContact O-NE2 2.88Å; D236-Q241 VanDerWaalsContact O-NE2 3.12Å |
| 237 | S | 91.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | trans | -117.8 | 176.1 | -177.6 | -81.3 | 0 | 0 | 0 | 0 | 114.8 | D201 H239 N240 Q241 | D201-S237 VanDerWaalsContact OD2-CA 3.25Å; D201-S237 WeakPolarHBondContact OD2-CA 3.17Å; D201-S237 WeakPolarHBondContact OD2-CB 3.08Å; D201-S237 PolarHBondContact OD2-N 3.13Å; D201-S237 VanDerWaalsContact OD2-N 3.14Å; D201-S237 VanDerWaalsContact OD2-O 3.13Å; S237-H239 PolarHBondContact O-N 3.24Å; S237-N240 WeakPolarHBondContact O-CB 3.17Å; S237-N240 PolarHBondContact O-N 3.12Å; S237-Q241 PolarHBondContact O-N 3.49Å | ||
| 238 | G | 89.1 | Confident | 93.1 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 59% | 0.588 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -98.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q242 | G238-Q242 PolarHBondContact O-NE2 2.9Š|
| 239 | H | 88.5 | Confident | 92.6 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -25.2 | 177.8 | -166.3 | 36.6 | 0 | 0 | 0 | 112.7 | S237 Q242 | S237-H239 PolarHBondContact O-N 3.24Å; H239-Q242 PolarHBondContact ND1-OE1 3.08Å; H239-Q242 WeakPolarHBondContact O-CB 3.46Å; H239-Q242 PolarHBondContact O-N 2.8Å |
| 240 | N | 89.6 | Confident | 92.4 | Very high | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -47.3 | 177.5 | -60.4 | -12.5 | 0 | 0 | 0 | 108.5 | D201 N203 D236 S237 Q242 D287 G289 | D201-N240 PolarHBondContact OD1-ND2 2.84Å; N203-N240 HydrophobicContact CB-CB 3.83Å; N203-N240 PolarHBondContact N-ND2 3.29Å; N203-N240 VanDerWaalsContact N-ND2 3.19Å; D236-N240 HydrophobicContact CB-CB 3.55Å; S237-N240 WeakPolarHBondContact O-CB 3.17Å; S237-N240 PolarHBondContact O-N 3.12Å; N240-Q242 PolarHBondContact O-N 2.8Å; N240-D287 WeakPolarHBondContact O-CB 3.23Å; N240-G289 VanDerWaalsContact OD1-CA 3.27Å; N240-G289 WeakPolarHBondContact OD1-CA 3.43Å |
| 241 | Q | 90.5 | Very high | 92.3 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -11.6 | 173.5 | -150 | 174.8 | 43.9 | 0 | 0 | 116.8 | D234 D236 S237 V243 | D234-Q241 HydrophobicContact CB-CG 4.03Å; D234-Q241 PolarHBondContact O-NE2 3.23Å; D234-Q241 VanDerWaalsContact O-NE2 3.08Å; D236-Q241 WeakPolarHBondContact O-CB 3.46Å; D236-Q241 WeakPolarHBondContact O-CG 3.32Å; D236-Q241 PolarHBondContact O-NE2 2.88Å; D236-Q241 VanDerWaalsContact O-NE2 3.12Å; S237-Q241 PolarHBondContact O-N 3.49Å; Q241-V243 PolarHBondContact O-N 2.94Å |
| 242 | Q | 90.7 | Very high | 92.2 | Very high | 95 Ų | 95 | 56.5 Ų | 56.5 | 44% | 0.444 | 32% | 0.324 | S | S | . | . | trans | -87.1 | 107.8 | -170.7 | -64.3 | 178.1 | 17.6 | 0 | 0 | 111.4 | G238 H239 N240 D287 L288 | G238-Q242 PolarHBondContact O-NE2 2.9Å; H239-Q242 PolarHBondContact ND1-OE1 3.08Å; H239-Q242 WeakPolarHBondContact O-CB 3.46Å; H239-Q242 PolarHBondContact O-N 2.8Å; N240-Q242 PolarHBondContact O-N 2.8Å; Q242-D287 CarbonylContact O-C 3.58Å; Q242-D287 VanDerWaalsContact O-C 3.23Å; Q242-L288 HydrophobicContact CB-CB 4.24Å; Q242-L288 HydrophobicContact CB-CD1 3.91Å; Q242-L288 HydrophobicContact CB-CG 4.43Å; Q242-L288 WeakPolarHBondContact O-CB 3.49Å; Q242-L288 VanDerWaalsContact O-CG 3.22Å; Q242-L288 WeakPolarHBondContact O-CG 3.49Å; Q242-L288 PolarHBondContact O-N 2.78Å | ||
| 243 | V | 92.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | trans | -95.8 | 139.3 | -172.2 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | P207 V232 D234 Q241 V285 | P207-V243 HydrophobicContact CB-CG1 3.95Å; P207-V243 HydrophobicContact CG-CG1 4Å; V232-V243 HydrophobicContact CB-CG2 4.15Å; V232-V243 HydrophobicContact CG1-CB 3.94Å; V232-V243 HydrophobicContact CG1-CG1 3.87Å; V232-V243 HydrophobicContact CG1-CG2 3.66Å; D234-V243 HydrophobicContact CB-CG1 4.15Å; Q241-V243 PolarHBondContact O-N 2.94Å; V243-V285 HydrophobicContact CB-CG1 4.02Å; V243-V285 HydrophobicContact CG1-CG1 4.28Å | ||
| 244 | I | 92.6 | Very high | 92.2 | Very high | 83 Ų | 83 | 57.9 Ų | 57.9 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.1 | 165.4 | -62.5 | -176.2 | 0 | 0 | 0 | 108.7 | V285 T286 L288 | I244-V285 WeakPolarHBondContact O-CA 3.46Å; I244-T286 PolarHBondContact N-O 3.45Å; I244-T286 PolarHBondContact O-N 2.89Å; I244-L288 HydrophobicContact CD1-CD1 4.35Å; I244-L288 HydrophobicContact CD1-CD2 3.85Å; I244-L288 HydrophobicContact CD1-CG 4.38Å; I244-L288 HydrophobicContact CG1-CD1 4.37Å; I244-L288 HydrophobicContact CG1-CD2 4.36Å; I244-L288 HydrophobicContact CG1-CG 4.4Å |
| 245 | C | 93.9 | Very high | 92.2 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 12% | 0.122 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 143.7 | 172.4 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | F230 L255 Y263 I283 | F230-C245 VanDerWaalsContact CZ-SG 3.59Å; C245-L255 HydrophobicContact CB-CD1 4.29Å; C245-Y263 HydrophobicContact CB-CD1 3.95Å; C245-Y263 HydrophobicContact CB-CD2 4.21Å; C245-Y263 HydrophobicContact CB-CE1 3.54Å; C245-Y263 HydrophobicContact CB-CE2 3.84Å; C245-Y263 HydrophobicContact CB-CG 4.27Å; C245-Y263 VanDerWaalsContact CB-CZ 3.48Å; C245-I283 VanDerWaalsContact SG-CG2 3.57Å |
| 246 | S | 94.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 159.7 | -176.3 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | T284 | S246-T284 PolarHBondContact N-O 2.89Å; S246-T284 PolarHBondContact O-N 2.86Å; S246-T284 PolarHBondContact OG-O 2.91Å |
| 247 | I | 95.6 | Very high | 92 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | trans | -135.5 | 171.2 | 172.7 | 49.8 | 172.2 | 0 | 0 | 0 | 109.2 | N249 F253 L255 L265 I281 I283 | I247-N249 PolarHBondContact O-N 2.84Å; I247-F253 HydrophobicContact CD1-CB 4.21Å; I247-F253 VanDerWaalsContact CD1-O 3.31Å; I247-F253 WeakPolarHBondContact CD1-O 3.02Å; I247-L255 HydrophobicContact CD1-CG 4.15Å; I247-L255 HydrophobicContact CG1-CD1 4.18Å; I247-L255 HydrophobicContact CG1-CG 4.15Å; I247-L255 HydrophobicContact CG2-CD1 4.01Å; I247-L255 HydrophobicContact CG2-CG 4.18Å; I247-L265 HydrophobicContact CD1-CD1 3.9Å; I247-I281 HydrophobicContact CB-CG2 4.39Å; I247-I281 HydrophobicContact CG2-CG2 3.86Å; I247-I283 HydrophobicContact CG2-CG1 4.12Å | ||
| 248 | E | 93 | Very high | 91.7 | Very high | 94 Ų | 94 | 67.4 Ų | 67.4 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | trans | -68.8 | 121.3 | 179.1 | -62.1 | 170.4 | -151.6 | 0 | 0 | 112.1 | N250 L251 | E248-N250 PolarHBondContact O-N 2.81Å; E248-L251 HydrophobicContact CB-CD1 3.82Å; E248-L251 HydrophobicContact CB-CG 4.04Å; E248-L251 HydrophobicContact CG-CD1 4.45Å; E248-L251 PolarHBondContact O-N 3.34Å | ||
| 249 | N | 86.5 | Confident | 91.4 | Very high | 172 Ų | 172 | 69.8 Ų | 69.8 | 92% | 0.92 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 5.7 | -178.1 | -61.8 | -10.8 | 0 | 0 | 0 | 116.2 | I247 | I247-N249 PolarHBondContact O-N 2.84Š|
| 250 | N | 89.3 | Confident | 90.9 | Very high | 147 Ų | 147 | 72.8 Ų | 72.8 | 79% | 0.786 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | 23.7 | -177.2 | -168.9 | 63.3 | 0 | 0 | 0 | 111.8 | E248 | E248-N250 PolarHBondContact O-N 2.81Š|
| 251 | L | 93.2 | Very high | 90.8 | Very high | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -124.2 | 139.7 | 178.4 | -53.5 | 176.2 | 0 | 0 | 0 | 108.9 | E248 F253 Y279 I281 | E248-L251 HydrophobicContact CB-CD1 3.82Å; E248-L251 HydrophobicContact CB-CG 4.04Å; E248-L251 HydrophobicContact CG-CD1 4.45Å; E248-L251 PolarHBondContact O-N 3.34Å; L251-F253 HydrophobicContact CB-CD2 3.92Å; L251-F253 HydrophobicContact CB-CE2 4.48Å; L251-F253 PolarHBondContact O-N 3.12Å; L251-Y279 HydrophobicContact CD2-CD1 4.35Å; L251-I281 HydrophobicContact CD1-CB 4.31Å; L251-I281 HydrophobicContact CD1-CG1 4.2Å; L251-I281 HydrophobicContact CD1-CG2 4.12Å |
| 252 | P | 94.1 | Very high | 91 | Very high | 38 Ų | 38 | 74.5 Ų | 74.5 | 25% | 0.247 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -79.2 | 48.7 | -174.7 | 35.1 | -38.8 | 0 | 0 | 0 | 112.8 | E268 L271 Y279 | P252-E268 PolarHBondContact O-N 3.34Å; P252-L271 HydrophobicContact CB-CD2 4.08Å; P252-L271 HydrophobicContact CG-CD2 3.56Å; P252-Y279 VanDerWaalsContact CD-CE1 3.41Å; P252-Y279 HydrophobicContact CG-CD1 4.34Å; P252-Y279 HydrophobicContact CG-CE1 3.59Å |
| 253 | F | 94.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 71.2 Ų | 71.2 | 4% | 0.044 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.8 | -179.1 | -55.4 | -94.3 | 0 | 0 | 0 | 110.2 | I218 V227 I247 L251 L265 V266 T267 L271 Y279 I281 V301 | I218-F253 HydrophobicContact CD1-CE1 4.33Å; V227-F253 HydrophobicContact CG2-CD1 4.04Å; V227-F253 HydrophobicContact CG2-CE1 3.96Å; I247-F253 HydrophobicContact CD1-CB 4.21Å; I247-F253 VanDerWaalsContact CD1-O 3.31Å; I247-F253 WeakPolarHBondContact CD1-O 3.02Å; L251-F253 HydrophobicContact CB-CD2 3.92Å; L251-F253 HydrophobicContact CB-CE2 4.48Å; L251-F253 PolarHBondContact O-N 3.12Å; F253-L265 HydrophobicContact CB-CD1 3.89Å; F253-V266 CarbonylContact C-O 3.5Å; F253-V266 VanDerWaalsContact CA-O 3.23Å; F253-V266 WeakPolarHBondContact CA-O 3.2Å; F253-V266 WeakPolarHBondContact CB-O 3.14Å; F253-T267 HydrophobicContact CD1-CG2 3.97Å; F253-T267 HydrophobicContact CE1-CG2 3.78Å; F253-L271 HydrophobicContact CE1-CD1 4.28Å; F253-L271 HydrophobicContact CZ-CD1 4.1Å; F253-Y279 AromaticContact CE2-CD1 3.65Å; F253-Y279 HydrophobicContact CE2-CD1 3.65Å; F253-Y279 HydrophobicContact CE2-CD2 4.27Å; F253-Y279 HydrophobicContact CE2-CE1 4.25Å; F253-Y279 AromaticContact CE2-CG 3.65Å; F253-Y279 HydrophobicContact CE2-CG 3.65Å; F253-Y279 HydrophobicContact CZ-CD1 4.29Å; F253-Y279 HydrophobicContact CZ-CD2 4.09Å; F253-Y279 AromaticContact CZ-CG 3.88Å; F253-Y279 HydrophobicContact CZ-CG 3.88Å; F253-I281 HydrophobicContact CD1-CD1 4.02Å; F253-I281 HydrophobicContact CD2-CD1 3.71Å; F253-I281 HydrophobicContact CD2-CG1 4.41Å; F253-I281 HydrophobicContact CE1-CD1 4.01Å; F253-I281 HydrophobicContact CE2-CD1 3.7Å; F253-I281 HydrophobicContact CE2-CG1 4.32Å; F253-I281 HydrophobicContact CG-CD1 3.88Å; F253-I281 HydrophobicContact CZ-CD1 3.85Å; F253-V301 HydrophobicContact CE1-CG1 4.47Å; F253-V301 HydrophobicContact CZ-CG1 4.44Å |
| 254 | L | 93.8 | Very high | 91.2 | Very high | 78 Ų | 78 | 71.9 Ų | 71.9 | 41% | 0.408 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.5 | -179.3 | -177.4 | 68.3 | 0 | 0 | 0 | 109.9 | R256 V266 | L254-R256 HydrophobicContact CD2-CG 4.07Å; L254-R256 HydrophobicContact CG-CG 4.34Å; L254-R256 PolarHBondContact O-N 2.93Å; L254-V266 HydrophobicContact CB-CG2 3.99Å; L254-V266 PolarHBondContact N-O 2.83Å; L254-V266 PolarHBondContact O-N 3.03Å |
| 255 | L | 94.2 | Very high | 91.4 | Very high | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 113.9 | 163.6 | -75.6 | 174.6 | 0 | 0 | 0 | 109.2 | F230 C245 I247 P257 L265 | F230-L255 HydrophobicContact CE1-CD2 3.8Å; F230-L255 HydrophobicContact CZ-CD2 3.68Å; C245-L255 HydrophobicContact CB-CD1 4.29Å; I247-L255 HydrophobicContact CD1-CG 4.15Å; I247-L255 HydrophobicContact CG1-CD1 4.18Å; I247-L255 HydrophobicContact CG1-CG 4.15Å; I247-L255 HydrophobicContact CG2-CD1 4.01Å; I247-L255 HydrophobicContact CG2-CG 4.18Å; L255-P257 WeakPolarHBondContact O-CD 3.38Å; L255-L265 HydrophobicContact CD2-CB 4.38Å; L255-L265 HydrophobicContact CD2-CD1 3.96Å; L255-L265 HydrophobicContact CG-CD1 4.35Å |
| 256 | R | 92.6 | Very high | 91.4 | Very high | 102 Ų | 102 | 67.2 Ų | 67.2 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109.8 | 167.7 | -69 | -177.2 | 176.2 | 170.6 | 1.8 | 108.5 | E224 L254 T264 V266 | E224-R256 IonicContact OE2-CZ 2.78Å; E224-R256 IonicContact OE2-NH1 3.35Å; E224-R256 PolarHBondContact OE2-NH1 2.81Å; E224-R256 IonicContact OE2-NH2 3.53Å; E224-R256 PolarHBondContact OE2-NH2 3.39Å; L254-R256 HydrophobicContact CD2-CG 4.07Å; L254-R256 HydrophobicContact CG-CG 4.34Å; L254-R256 PolarHBondContact O-N 2.93Å; R256-T264 PolarHBondContact N-O 2.71Å; R256-T264 PolarHBondContact O-N 2.97Å; R256-V266 HydrophobicContact CG-CG2 4.14Å |
| 257 | P | 91.3 | Very high | 91.4 | Very high | 98 Ų | 98 | 64.9 Ų | 64.9 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 148.2 | 172 | 28.9 | -34 | 0 | 0 | 0 | 110.3 | L255 Y263 | L255-P257 WeakPolarHBondContact O-CD 3.38Å; P257-Y263 HydrophobicContact CB-CD1 4.1Å; P257-Y263 HydrophobicContact CB-CE1 3.92Å |
| 258 | S | 84.6 | Confident | 91.2 | Very high | 73 Ų | 73 | 70.2 Ų | 70.2 | 51% | 0.51 | 37% | 0.367 | S | S | . | . | trans | -119.6 | -161 | 179.1 | -166.4 | 0 | 0 | 0 | 0 | 109.7 | F262 | S258-F262 WeakPolarHBondContact CA-O 3.22Å; S258-F262 VanDerWaalsContact CB-O 3.31Å; S258-F262 WeakPolarHBondContact CB-O 3.36Å; S258-F262 PolarHBondContact N-O 3.29Å | ||
| 259 | V | 82.9 | Confident | 91.1 | Very high | 107 Ų | 107 | 67 Ų | 67 | 65% | 0.648 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -68.1 | 156.4 | 169.8 | -135.2 | 0 | 0 | 0 | 0 | 110.7 | N261 F262 | V259-N261 PolarHBondContact O-N 2.83Å; V259-F262 WeakPolarHBondContact O-CB 3.08Å; V259-F262 WeakPolarHBondContact O-CD2 3.31Å; V259-F262 PolarHBondContact O-N 2.83Å |
| 260 | E | 79.9 | Confident | 91.4 | Very high | 165 Ų | 165 | 61.5 Ų | 61.5 | 77% | 0.771 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 47.1 | 162.6 | -63.9 | 173.3 | -170.9 | 0 | 0 | 115.3 | F262 | E260-F262 HydrophobicContact CB-CD2 4.23Å; E260-F262 HydrophobicContact CB-CE2 4.45Å; E260-F262 VanDerWaalsContact O-CD2 3.28Å; E260-F262 WeakPolarHBondContact O-CD2 3.48Å; E260-F262 PolarHBondContact O-N 3.39Å |
| 261 | N | 87.3 | Confident | 91.6 | Very high | 73 Ų | 73 | 54.9 Ų | 54.9 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 19.4 | -178.6 | -63.6 | -13.9 | 0 | 0 | 0 | 115.4 | V232 V259 Y263 | V232-N261 PolarHBondContact N-O 2.85Å; V232-N261 WeakPolarHBondContact O-CB 3.42Å; V259-N261 PolarHBondContact O-N 2.83Å; N261-Y263 VanDerWaalsContact O-CD2 3.24Å; N261-Y263 WeakPolarHBondContact O-CD2 3.31Å; N261-Y263 WeakPolarHBondContact O-CE2 3.42Å |
| 262 | F | 92.9 | Very high | 91.7 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 141.5 | 166.2 | -73.8 | -97.2 | 0 | 0 | 0 | 110.9 | F230 S258 V259 E260 | F230-F262 CarbonylContact O-C 3.59Å; F230-F262 WeakPolarHBondContact O-CA 3.09Å; S258-F262 WeakPolarHBondContact CA-O 3.22Å; S258-F262 VanDerWaalsContact CB-O 3.31Å; S258-F262 WeakPolarHBondContact CB-O 3.36Å; S258-F262 PolarHBondContact N-O 3.29Å; V259-F262 WeakPolarHBondContact O-CB 3.08Å; V259-F262 WeakPolarHBondContact O-CD2 3.31Å; V259-F262 PolarHBondContact O-N 2.83Å; E260-F262 HydrophobicContact CB-CD2 4.23Å; E260-F262 HydrophobicContact CB-CE2 4.45Å; E260-F262 VanDerWaalsContact O-CD2 3.28Å; E260-F262 WeakPolarHBondContact O-CD2 3.48Å; E260-F262 PolarHBondContact O-N 3.39Å |
| 263 | Y | 94.8 | Very high | 91.8 | Very high | 27 Ų | 27 | 57.6 Ų | 57.6 | 11% | 0.106 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.7 | 178.5 | -68.9 | -92.7 | 0 | 0 | 0 | 110.3 | V229 F230 V232 C245 P257 N261 | V229-Y263 WeakPolarHBondContact CA-O 3.42Å; F230-Y263 HydrophobicContact CE2-CD2 4.01Å; F230-Y263 HydrophobicContact CE2-CG 4.05Å; F230-Y263 VanDerWaalsContact CZ-CB 3.44Å; F230-Y263 HydrophobicContact CZ-CG 4.09Å; F230-Y263 PolarHBondContact N-O 2.96Å; F230-Y263 PolarHBondContact O-N 3.29Å; V232-Y263 HydrophobicContact CB-CE2 4.37Å; V232-Y263 HydrophobicContact CG2-CD2 3.95Å; V232-Y263 HydrophobicContact CG2-CE2 3.96Å; C245-Y263 HydrophobicContact CB-CD1 3.95Å; C245-Y263 HydrophobicContact CB-CD2 4.21Å; C245-Y263 HydrophobicContact CB-CE1 3.54Å; C245-Y263 HydrophobicContact CB-CE2 3.84Å; C245-Y263 HydrophobicContact CB-CG 4.27Å; C245-Y263 VanDerWaalsContact CB-CZ 3.48Å; P257-Y263 HydrophobicContact CB-CD1 4.1Å; P257-Y263 HydrophobicContact CB-CE1 3.92Å; N261-Y263 VanDerWaalsContact O-CD2 3.24Å; N261-Y263 WeakPolarHBondContact O-CD2 3.31Å; N261-Y263 WeakPolarHBondContact O-CE2 3.42Å |
| 264 | T | 94.8 | Very high | 91.8 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.2 | 175 | -55.8 | 0 | 0 | 0 | 0 | 108.6 | T226 V229 R256 V266 | T226-T264 HydrophobicContact CG2-CG2 3.68Å; V229-T264 HydrophobicContact CG2-CG2 4.3Å; R256-T264 PolarHBondContact N-O 2.71Å; R256-T264 PolarHBondContact O-N 2.97Å; T264-V266 HydrophobicContact CG2-CG1 3.8Å |
| 265 | L | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 116.8 | 172.2 | -175.5 | 67.6 | 0 | 0 | 0 | 108.9 | V227 A228 I247 F253 L255 I281 I299 | V227-L265 HydrophobicContact CB-CD2 4.44Å; V227-L265 HydrophobicContact CB-CG 4.48Å; V227-L265 PolarHBondContact N-O 2.82Å; A228-L265 HydrophobicContact CB-CB 4.14Å; A228-L265 HydrophobicContact CB-CD2 4.44Å; A228-L265 PolarHBondContact N-O 3.21Å; A228-L265 PolarHBondContact O-N 3.06Å; I247-L265 HydrophobicContact CD1-CD1 3.9Å; F253-L265 HydrophobicContact CB-CD1 3.89Å; L255-L265 HydrophobicContact CD2-CB 4.38Å; L255-L265 HydrophobicContact CD2-CD1 3.96Å; L255-L265 HydrophobicContact CG-CD1 4.35Å; L265-I281 HydrophobicContact CD2-CD1 3.95Å; L265-I281 HydrophobicContact CD2-CG2 4.45Å; L265-I299 HydrophobicContact CD2-CD1 3.78Å |
| 266 | V | 94.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 157.5 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | I225 F253 L254 R256 T264 | I225-V266 CarbonylContact O-C 3.53Å; I225-V266 WeakPolarHBondContact O-CA 3.49Å; F253-V266 CarbonylContact C-O 3.5Å; F253-V266 VanDerWaalsContact CA-O 3.23Å; F253-V266 WeakPolarHBondContact CA-O 3.2Å; F253-V266 WeakPolarHBondContact CB-O 3.14Å; L254-V266 HydrophobicContact CB-CG2 3.99Å; L254-V266 PolarHBondContact N-O 2.83Å; L254-V266 PolarHBondContact O-N 3.03Å; R256-V266 HydrophobicContact CG-CG2 4.14Å; T264-V266 HydrophobicContact CG2-CG1 3.8Å |
| 267 | T | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 139.4 | 164.3 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | I218 E224 I225 V227 F253 G269 L271 | I218-T267 HydrophobicContact CD1-CG2 3.99Å; E224-T267 PolarHBondContact N-OG1 2.77Å; E224-T267 VanDerWaalsContact N-OG1 3.14Å; I225-T267 HydrophobicContact CB-CG2 4.23Å; I225-T267 PolarHBondContact N-OG1 2.83Å; I225-T267 PolarHBondContact O-N 3.07Å; V227-T267 HydrophobicContact CG2-CG2 4.1Å; F253-T267 HydrophobicContact CD1-CG2 3.97Å; F253-T267 HydrophobicContact CE1-CG2 3.78Å; T267-G269 WeakPolarHBondContact CB-O 3.48Å; T267-G269 PolarHBondContact OG1-O 2.97Å; T267-L271 HydrophobicContact CG2-CD1 3.91Å; T267-L271 HydrophobicContact CG2-CD2 4.36Å; T267-L271 HydrophobicContact CG2-CG 4.02Å |
| 268 | E | 91.5 | Very high | 92 | Very high | 139 Ų | 139 | 60.2 Ų | 60.2 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -74.3 | -32.5 | 177.6 | -175 | 179.8 | -162.5 | 0 | 0 | 111.6 | P252 | P252-E268 PolarHBondContact O-N 3.34Š|
| 269 | G | 90.3 | Very high | 92.6 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -147.2 | -165.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T267 | T267-G269 WeakPolarHBondContact CB-O 3.48Å; T267-G269 PolarHBondContact OG1-O 2.97Å |
| 270 | A | 92.1 | Very high | 93.2 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | trans | -65.7 | 138.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 271 | L | 94.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | trans | -88.3 | 163.9 | 168.7 | -56.8 | -175.5 | 0 | 0 | 0 | 110.3 | I218 E220 N221 P252 F253 T267 Y279 V303 | I218-L271 HydrophobicContact CD1-CD1 3.6Å; I218-L271 HydrophobicContact CG1-CD1 4.31Å; E220-L271 WeakPolarHBondContact CB-O 3.48Å; N221-L271 PolarHBondContact N-O 2.84Å; P252-L271 HydrophobicContact CB-CD2 4.08Å; P252-L271 HydrophobicContact CG-CD2 3.56Å; F253-L271 HydrophobicContact CE1-CD1 4.28Å; F253-L271 HydrophobicContact CZ-CD1 4.1Å; T267-L271 HydrophobicContact CG2-CD1 3.91Å; T267-L271 HydrophobicContact CG2-CD2 4.36Å; T267-L271 HydrophobicContact CG2-CG 4.02Å; L271-Y279 HydrophobicContact CD1-CE2 4.28Å; L271-V303 HydrophobicContact CB-CG1 4.42Å; L271-V303 HydrophobicContact CB-CG2 4.43Å; L271-V303 HydrophobicContact CD1-CG2 3.94Å | ||
| 272 | D | 94.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | trans | -141.8 | 118 | -177.8 | 158 | -6.3 | 0 | 0 | 0 | 106.3 | E274 S275 R276 | D272-E274 PolarHBondContact OD1-N 2.98Å; D272-S275 VanDerWaalsContact CG-OG 3.22Å; D272-S275 VanDerWaalsContact OD1-CB 3.27Å; D272-S275 WeakPolarHBondContact OD1-CB 3.45Å; D272-S275 PolarHBondContact OD1-N 3.49Å; D272-S275 PolarHBondContact OD1-OG 2.85Å; D272-S275 VanDerWaalsContact OD2-CB 3.28Å; D272-S275 WeakPolarHBondContact OD2-CB 3.24Å; D272-S275 PolarHBondContact OD2-OG 2.81Å; D272-R276 PolarHBondContact O-N 3.05Å | ||
| 273 | R | 95.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 42.9 Ų | 42.9 | 15% | 0.151 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -82.7 | -33.7 | -172.2 | -175 | -145.8 | 66.7 | 94.8 | -12.5 | 111.8 | E220 S275 R276 A277 V303 D305 R340 D341 | E220-R273 WeakPolarHBondContact OE2-CB 3.32Å; E220-R273 PolarHBondContact OE2-N 2.85Å; R273-S275 VanDerWaalsContact C-N 3.26Å; R273-S275 PolarHBondContact O-N 2.9Å; R273-R276 CarbonylContact O-C 3.48Å; R273-R276 PolarHBondContact O-N 3.24Å; R273-A277 HydrophobicContact CG-CB 3.7Å; R273-A277 PolarHBondContact O-N 3.36Å; R273-V303 HydrophobicContact CB-CB 4.17Å; R273-V303 HydrophobicContact CB-CG1 3.84Å; R273-V303 HydrophobicContact CG-CB 4.19Å; R273-V303 HydrophobicContact CG-CG1 4.32Å; R273-D305 VanDerWaalsContact CD-OD1 3.29Å; R273-D305 WeakPolarHBondContact CD-OD1 3.2Å; R273-D305 IonicContact CZ-OD1 3.52Å; R273-D305 IonicContact NE-OD1 3.2Å; R273-D305 PolarHBondContact NE-OD1 2.72Å; R273-D305 IonicContact NH2-OD1 2.72Å; R273-D305 PolarHBondContact NH2-OD1 2.96Å; R273-R340 PolarHBondContact NH2-O 3.41Å; R273-D341 PolarHBondContact NH2-O 3.32Å |
| 274 | E | 94.9 | Very high | 94.5 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -36.6 | 175.1 | -69.5 | 59.9 | -127.9 | 0 | 0 | 110.8 | D272 R340 | D272-E274 PolarHBondContact OD1-N 2.98Å; E274-R340 HydrophobicContact CG-CB 3.77Å |
| 275 | S | 93.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 41.2 Ų | 41.2 | 66% | 0.657 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -73.8 | -48.9 | 169.2 | -73 | 0 | 0 | 0 | 0 | 111.9 | D272 R273 | D272-S275 VanDerWaalsContact CG-OG 3.22Å; D272-S275 VanDerWaalsContact OD1-CB 3.27Å; D272-S275 WeakPolarHBondContact OD1-CB 3.45Å; D272-S275 PolarHBondContact OD1-N 3.49Å; D272-S275 PolarHBondContact OD1-OG 2.85Å; D272-S275 VanDerWaalsContact OD2-CB 3.28Å; D272-S275 WeakPolarHBondContact OD2-CB 3.24Å; D272-S275 PolarHBondContact OD2-OG 2.81Å; R273-S275 VanDerWaalsContact C-N 3.26Å; R273-S275 PolarHBondContact O-N 2.9Å |
| 276 | R | 94.2 | Very high | 94.6 | Very high | 92 Ų | 92 | 42.4 Ų | 42.4 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -159.2 | 102.4 | 178.2 | -176.4 | 169.4 | 173.9 | -171.5 | 0.6 | 114.2 | D272 R273 E278 Y279 | D272-R276 PolarHBondContact O-N 3.05Å; R273-R276 CarbonylContact O-C 3.48Å; R273-R276 PolarHBondContact O-N 3.24Å; R276-E278 WeakPolarHBondContact CG-O 3.16Å; R276-E278 PolarHBondContact NE-O 2.87Å; R276-E278 PolarHBondContact NH2-O 3.04Å; R276-E278 PolarHBondContact O-N 3.03Å; R276-Y279 HydrophobicContact CB-CE2 4.3Å; R276-Y279 VanDerWaalsContact CD-CE1 3.48Å; R276-Y279 HydrophobicContact CG-CD2 4.5Å; R276-Y279 HydrophobicContact CG-CE1 4.07Å; R276-Y279 HydrophobicContact CG-CE2 4.01Å; R276-Y279 VanDerWaalsContact CZ-CD1 3.45Å; R276-Y279 WeakPolarHBondContact O-CE2 3.45Å |
| 277 | A | 94.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 36% | 0.355 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -70.4 | -16.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | R273 V303 | R273-A277 HydrophobicContact CG-CB 3.7Å; R273-A277 PolarHBondContact O-N 3.36Å; A277-V303 PolarHBondContact O-N 3.47Å |
| 278 | E | 96.1 | Very high | 94.5 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 135.1 | -174.2 | -171.6 | 172.3 | -111.1 | 0 | 0 | 113.9 | R276 T300 Q302 | R276-E278 WeakPolarHBondContact CG-O 3.16Å; R276-E278 PolarHBondContact NE-O 2.87Å; R276-E278 PolarHBondContact NH2-O 3.04Å; R276-E278 PolarHBondContact O-N 3.03Å; E278-T300 HydrophobicContact CG-CG2 3.78Å; E278-T300 WeakPolarHBondContact OE1-CG2 3.4Å; E278-Q302 HydrophobicContact CG-CG 4.11Å; E278-Q302 WeakPolarHBondContact OE1-CG 3.28Å; E278-Q302 PolarHBondContact OE1-NE2 3.01Å |
| 279 | Y | 95.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 112.8 | -179.8 | -63.3 | -95 | 0 | 0 | 0 | 110.6 | L251 P252 F253 L271 R276 V301 V303 | L251-Y279 HydrophobicContact CD2-CD1 4.35Å; P252-Y279 VanDerWaalsContact CD-CE1 3.41Å; P252-Y279 HydrophobicContact CG-CD1 4.34Å; P252-Y279 HydrophobicContact CG-CE1 3.59Å; F253-Y279 AromaticContact CE2-CD1 3.65Å; F253-Y279 HydrophobicContact CE2-CD1 3.65Å; F253-Y279 HydrophobicContact CE2-CD2 4.27Å; F253-Y279 HydrophobicContact CE2-CE1 4.25Å; F253-Y279 AromaticContact CE2-CG 3.65Å; F253-Y279 HydrophobicContact CE2-CG 3.65Å; F253-Y279 HydrophobicContact CZ-CD1 4.29Å; F253-Y279 HydrophobicContact CZ-CD2 4.09Å; F253-Y279 AromaticContact CZ-CG 3.88Å; F253-Y279 HydrophobicContact CZ-CG 3.88Å; L271-Y279 HydrophobicContact CD1-CE2 4.28Å; R276-Y279 HydrophobicContact CB-CE2 4.3Å; R276-Y279 VanDerWaalsContact CD-CE1 3.48Å; R276-Y279 HydrophobicContact CG-CD2 4.5Å; R276-Y279 HydrophobicContact CG-CE1 4.07Å; R276-Y279 HydrophobicContact CG-CE2 4.01Å; R276-Y279 VanDerWaalsContact CZ-CD1 3.45Å; R276-Y279 WeakPolarHBondContact O-CE2 3.45Å; Y279-V301 PolarHBondContact N-O 2.88Å; Y279-V301 PolarHBondContact O-N 2.81Å; Y279-V303 HydrophobicContact CD2-CG2 4.07Å; Y279-V303 HydrophobicContact CE2-CG2 3.8Å |
| 280 | N | 95.8 | Very high | 94.4 | Very high | 83 Ų | 83 | 42.8 Ų | 42.8 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.2 | 162.6 | -65.5 | -47.6 | 0 | 0 | 0 | 107.9 | I299 T300 | N280-I299 WeakPolarHBondContact CA-O 3.38Å; N280-T300 WeakPolarHBondContact OD1-CB 3.5Å; N280-T300 VanDerWaalsContact OD1-CG2 3.31Å; N280-T300 WeakPolarHBondContact OD1-CG2 3.32Å; N280-T300 PolarHBondContact OD1-OG1 2.99Å |
| 281 | I | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 112.5 | -176.2 | -47.4 | 178.6 | 0 | 0 | 0 | 107.6 | I247 L251 F253 L265 S298 I299 V301 | I247-I281 HydrophobicContact CB-CG2 4.39Å; I247-I281 HydrophobicContact CG2-CG2 3.86Å; L251-I281 HydrophobicContact CD1-CB 4.31Å; L251-I281 HydrophobicContact CD1-CG1 4.2Å; L251-I281 HydrophobicContact CD1-CG2 4.12Å; F253-I281 HydrophobicContact CD1-CD1 4.02Å; F253-I281 HydrophobicContact CD2-CD1 3.71Å; F253-I281 HydrophobicContact CD2-CG1 4.41Å; F253-I281 HydrophobicContact CE1-CD1 4.01Å; F253-I281 HydrophobicContact CE2-CD1 3.7Å; F253-I281 HydrophobicContact CE2-CG1 4.32Å; F253-I281 HydrophobicContact CG-CD1 3.88Å; F253-I281 HydrophobicContact CZ-CD1 3.85Å; L265-I281 HydrophobicContact CD2-CD1 3.95Å; L265-I281 HydrophobicContact CD2-CG2 4.45Å; I281-S298 WeakPolarHBondContact O-CA 3.25Å; I281-I299 HydrophobicContact CB-CG1 3.98Å; I281-I299 PolarHBondContact N-O 2.83Å; I281-I299 PolarHBondContact O-N 2.85Å; I281-V301 HydrophobicContact CD1-CB 4.46Å; I281-V301 HydrophobicContact CD1-CG2 3.7Å; I281-V301 HydrophobicContact CG1-CG2 4.4Å |
| 282 | T | 96.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 50 Ų | 50 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 103.9 | 173 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | T284 Q296 S298 | T282-T284 PolarHBondContact O-N 2.95Å; T282-Q296 HydrophobicContact CG2-CB 4.18Å; T282-S298 PolarHBondContact OG1-OG 2.84Å; T282-S298 VanDerWaalsContact OG1-OG 3.12Å |
| 283 | I | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.2 | 170.3 | -52.5 | 172.1 | 0 | 0 | 0 | 107.5 | L209 M211 F230 C245 I247 Q296 Q297 I299 | L209-I283 HydrophobicContact CD1-CB 4.15Å; L209-I283 HydrophobicContact CD1-CG2 3.66Å; M211-I283 HydrophobicContact CE-CD1 3.59Å; F230-I283 HydrophobicContact CD1-CD1 4.22Å; F230-I283 HydrophobicContact CE1-CD1 3.79Å; F230-I283 HydrophobicContact CE1-CG2 4.46Å; F230-I283 HydrophobicContact CE2-CG2 3.98Å; F230-I283 HydrophobicContact CZ-CD1 4.08Å; F230-I283 HydrophobicContact CZ-CG2 3.67Å; C245-I283 VanDerWaalsContact SG-CG2 3.57Å; I247-I283 HydrophobicContact CG2-CG1 4.12Å; I283-Q296 CarbonylContact O-C 3.37Å; I283-Q296 VanDerWaalsContact O-CA 3.32Å; I283-Q296 WeakPolarHBondContact O-CA 3.41Å; I283-Q297 PolarHBondContact N-O 3.43Å; I283-Q297 PolarHBondContact O-N 2.8Å; I283-I299 HydrophobicContact CD1-CD1 4.16Å |
| 284 | T | 95.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.2 | 179.7 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | S246 T282 Q296 | S246-T284 PolarHBondContact N-O 2.89Å; S246-T284 PolarHBondContact O-N 2.86Å; S246-T284 PolarHBondContact OG-O 2.91Å; T282-T284 PolarHBondContact O-N 2.95Å; T284-Q296 HydrophobicContact CG2-CG 4Å; T284-Q296 PolarHBondContact OG1-NE2 3.35Å |
| 285 | V | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 141 | 171.4 | -174 | 0 | 0 | 0 | 0 | 108.5 | P207 L209 V232 V243 I244 K294 T295 | P207-V285 HydrophobicContact CB-CB 4.2Å; P207-V285 HydrophobicContact CB-CG1 3.4Å; P207-V285 VanDerWaalsContact CB-CG1 3.4Å; P207-V285 HydrophobicContact CG-CG1 3.9Å; L209-V285 HydrophobicContact CD1-CG2 3.9Å; V232-V285 HydrophobicContact CG1-CG1 3.54Å; V232-V285 HydrophobicContact CG1-CG2 4.36Å; V232-V285 HydrophobicContact CG2-CG1 4.4Å; V232-V285 HydrophobicContact CG2-CG2 3.88Å; V243-V285 HydrophobicContact CB-CG1 4.02Å; V243-V285 HydrophobicContact CG1-CG1 4.28Å; I244-V285 WeakPolarHBondContact O-CA 3.46Å; V285-K294 VanDerWaalsContact O-CA 3.24Å; V285-K294 WeakPolarHBondContact O-CA 3.22Å; V285-K294 WeakPolarHBondContact O-CB 3.25Å; V285-T295 PolarHBondContact N-O 2.63Å; V285-T295 PolarHBondContact O-N 3.31Å |
| 286 | T | 94.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 131.9 | 174.2 | -53.2 | 0 | 0 | 0 | 0 | 108.6 | I244 R292 L293 K294 | I244-T286 PolarHBondContact N-O 3.45Å; I244-T286 PolarHBondContact O-N 2.89Å; T286-R292 HydrophobicContact CG2-CB 4.06Å; T286-R292 VanDerWaalsContact CG2-CZ 3.47Å; T286-R292 VanDerWaalsContact CG2-NH2 3.31Å; T286-L293 WeakPolarHBondContact CA-O 3.45Å; T286-L293 VanDerWaalsContact CG2-O 3.27Å; T286-L293 WeakPolarHBondContact CG2-O 3.46Å; T286-K294 HydrophobicContact CG2-CB 4.16Å; T286-K294 WeakPolarHBondContact OG1-CB 3.29Å |
| 287 | D | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -62.3 | -168.4 | 175.6 | 59 | 27.2 | 0 | 0 | 0 | 113.3 | N203 P207 N240 Q242 R292 L293 | N203-D287 PolarHBondContact ND2-OD2 2.74Å; N203-D287 PolarHBondContact OD1-OD2 3.18Å; P207-D287 HydrophobicContact CG-CB 4.06Å; N240-D287 WeakPolarHBondContact O-CB 3.23Å; Q242-D287 CarbonylContact O-C 3.58Å; Q242-D287 VanDerWaalsContact O-C 3.23Å; D287-R292 PolarHBondContact O-NE 3.14Å; D287-R292 PolarHBondContact O-NH2 3.02Å; D287-R292 WeakPolarHBondContact OD1-CA 3.31Å; D287-R292 WeakPolarHBondContact OD1-CB 3.42Å; D287-R292 WeakPolarHBondContact OD1-CG 3.47Å; D287-R292 IonicContact OD1-NE 2.82Å; D287-L293 VanDerWaalsContact CG-N 3.28Å; D287-L293 PolarHBondContact N-O 3.36Å; D287-L293 PolarHBondContact OD1-N 3.21Å; D287-L293 VanDerWaalsContact OD1-N 3.13Å; D287-L293 VanDerWaalsContact OD2-CA 3.24Å; D287-L293 WeakPolarHBondContact OD2-CA 3.49Å; D287-L293 WeakPolarHBondContact OD2-CB 3.22Å; D287-L293 PolarHBondContact OD2-N 2.84Å | ||
| 288 | L | 92.7 | Very high | 94.7 | Very high | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -127.7 | 5.5 | 172.7 | -75.1 | 176.3 | 0 | 0 | 0 | 114.9 | Q242 I244 | Q242-L288 HydrophobicContact CB-CB 4.24Å; Q242-L288 HydrophobicContact CB-CD1 3.91Å; Q242-L288 HydrophobicContact CB-CG 4.43Å; Q242-L288 WeakPolarHBondContact O-CB 3.49Å; Q242-L288 VanDerWaalsContact O-CG 3.22Å; Q242-L288 WeakPolarHBondContact O-CG 3.49Å; Q242-L288 PolarHBondContact O-N 2.78Å; I244-L288 HydrophobicContact CD1-CD1 4.35Å; I244-L288 HydrophobicContact CD1-CD2 3.85Å; I244-L288 HydrophobicContact CD1-CG 4.38Å; I244-L288 HydrophobicContact CG1-CD1 4.37Å; I244-L288 HydrophobicContact CG1-CD2 4.36Å; I244-L288 HydrophobicContact CG1-CG 4.4Å |
| 289 | G | 90.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -74.5 | -158.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N203 N240 R292 | N203-G289 WeakPolarHBondContact OD1-CA 3.21Å; N203-G289 PolarHBondContact OD1-N 3.03Å; N203-G289 VanDerWaalsContact OD1-N 3.14Å; N240-G289 VanDerWaalsContact OD1-CA 3.27Å; N240-G289 WeakPolarHBondContact OD1-CA 3.43Å; G289-R292 WeakPolarHBondContact O-CG 3.35Å |
| 290 | T | 89.1 | Confident | 94.7 | Very high | 126 Ų | 126 | 52.3 Ų | 52.3 | 77% | 0.773 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -151.3 | 113.3 | -172.8 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 291 | P | 92.8 | Very high | 94.7 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | S | Bend | cis | -65.1 | 157.9 | 0.2 | 31.8 | -37.4 | 0 | 0 | 0 | 112.5 | ||
| 292 | R | 93.6 | Very high | 94.7 | Very high | 125 Ų | 125 | 52.7 Ų | 52.7 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 124.6 | 175.1 | -68.4 | -177 | 72.5 | -163.3 | 4.7 | 111.4 | T286 D287 G289 | T286-R292 HydrophobicContact CG2-CB 4.06Å; T286-R292 VanDerWaalsContact CG2-CZ 3.47Å; T286-R292 VanDerWaalsContact CG2-NH2 3.31Å; D287-R292 PolarHBondContact O-NE 3.14Å; D287-R292 PolarHBondContact O-NH2 3.02Å; D287-R292 WeakPolarHBondContact OD1-CA 3.31Å; D287-R292 WeakPolarHBondContact OD1-CB 3.42Å; D287-R292 WeakPolarHBondContact OD1-CG 3.47Å; D287-R292 IonicContact OD1-NE 2.82Å; G289-R292 WeakPolarHBondContact O-CG 3.35Å |
| 293 | L | 94.8 | Very high | 94.7 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -98.2 | 159.8 | 173.9 | -52.8 | 179.8 | 0 | 0 | 0 | 110.3 | D204 N205 A206 T286 D287 | D204-L293 WeakPolarHBondContact O-CD1 3.28Å; N205-L293 VanDerWaalsContact O-CD1 3.32Å; N205-L293 WeakPolarHBondContact O-CD1 3.27Å; A206-L293 HydrophobicContact CB-CB 4.02Å; A206-L293 HydrophobicContact CB-CD1 4.47Å; T286-L293 WeakPolarHBondContact CA-O 3.45Å; T286-L293 VanDerWaalsContact CG2-O 3.27Å; T286-L293 WeakPolarHBondContact CG2-O 3.46Å; D287-L293 VanDerWaalsContact CG-N 3.28Å; D287-L293 PolarHBondContact N-O 3.36Å; D287-L293 PolarHBondContact OD1-N 3.21Å; D287-L293 VanDerWaalsContact OD1-N 3.13Å; D287-L293 VanDerWaalsContact OD2-CA 3.24Å; D287-L293 WeakPolarHBondContact OD2-CA 3.49Å; D287-L293 WeakPolarHBondContact OD2-CB 3.22Å; D287-L293 PolarHBondContact OD2-N 2.84Å |
| 294 | K | 95.1 | Very high | 94.6 | Very high | 120 Ų | 120 | 53.5 Ų | 53.5 | 52% | 0.522 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 147.7 | -172.9 | 61.7 | 164 | -173 | 154.7 | 0 | 113.4 | V285 T286 | V285-K294 VanDerWaalsContact O-CA 3.24Å; V285-K294 WeakPolarHBondContact O-CA 3.22Å; V285-K294 WeakPolarHBondContact O-CB 3.25Å; T286-K294 HydrophobicContact CG2-CB 4.16Å; T286-K294 WeakPolarHBondContact OG1-CB 3.29Å |
| 295 | T | 96.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 27% | 0.27 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.6 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 109.5 | P207 V285 | P207-T295 WeakPolarHBondContact O-CB 2.92Å; P207-T295 PolarHBondContact O-OG1 3.39Å; V285-T295 PolarHBondContact N-O 2.63Å; V285-T295 PolarHBondContact O-N 3.31Å |
| 296 | Q | 96 | Very high | 94.5 | Very high | 101 Ų | 101 | 56.8 Ų | 56.8 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.4 | -176.8 | -59.4 | -166.8 | -96.1 | 0 | 0 | 110.3 | T282 I283 T284 | T282-Q296 HydrophobicContact CG2-CB 4.18Å; I283-Q296 CarbonylContact O-C 3.37Å; I283-Q296 VanDerWaalsContact O-CA 3.32Å; I283-Q296 WeakPolarHBondContact O-CA 3.41Å; T284-Q296 HydrophobicContact CG2-CG 4Å; T284-Q296 PolarHBondContact OG1-NE2 3.35Å |
| 297 | Q | 95 | Very high | 94.5 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.4 | 175.5 | -179.3 | 57.1 | 54 | 0 | 0 | 109.3 | L209 I283 I299 | L209-Q297 HydrophobicContact CD1-CB 4.2Å; L209-Q297 HydrophobicContact CD2-CB 4.25Å; L209-Q297 HydrophobicContact CD2-CG 4.33Å; I283-Q297 PolarHBondContact N-O 3.43Å; I283-Q297 PolarHBondContact O-N 2.8Å; Q297-I299 HydrophobicContact CG-CG2 4.49Å |
| 298 | S | 95.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 48% | 0.483 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.6 | 173.2 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | I281 T282 | I281-S298 WeakPolarHBondContact O-CA 3.25Å; T282-S298 PolarHBondContact OG1-OG 2.84Å; T282-S298 VanDerWaalsContact OG1-OG 3.12Å |
| 299 | I | 95.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149 | 171.9 | 59.5 | 175.1 | 0 | 0 | 0 | 109.9 | M211 F214 A228 L265 N280 I281 I283 Q297 | M211-I299 HydrophobicContact CE-CD1 4.43Å; F214-I299 HydrophobicContact CD2-CD1 4.22Å; F214-I299 HydrophobicContact CE2-CB 4.02Å; F214-I299 HydrophobicContact CE2-CD1 3.93Å; F214-I299 HydrophobicContact CE2-CG1 4.39Å; F214-I299 HydrophobicContact CZ-CB 4.06Å; A228-I299 HydrophobicContact CB-CD1 4.46Å; L265-I299 HydrophobicContact CD2-CD1 3.78Å; N280-I299 WeakPolarHBondContact CA-O 3.38Å; I281-I299 HydrophobicContact CB-CG1 3.98Å; I281-I299 PolarHBondContact N-O 2.83Å; I281-I299 PolarHBondContact O-N 2.85Å; I283-I299 HydrophobicContact CD1-CD1 4.16Å; Q297-I299 HydrophobicContact CG-CG2 4.49Å |
| 300 | T | 96.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.3 | -179.8 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | F214 E278 N280 | F214-T300 WeakPolarHBondContact CZ-O 3.33Å; E278-T300 HydrophobicContact CG-CG2 3.78Å; E278-T300 WeakPolarHBondContact OE1-CG2 3.4Å; N280-T300 WeakPolarHBondContact OD1-CB 3.5Å; N280-T300 VanDerWaalsContact OD1-CG2 3.31Å; N280-T300 WeakPolarHBondContact OD1-CG2 3.32Å; N280-T300 PolarHBondContact OD1-OG1 2.99Å |
| 301 | V | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.8 | -178.6 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | F214 I218 V227 F253 Y279 I281 | F214-V301 HydrophobicContact CE2-CG2 4.15Å; I218-V301 HydrophobicContact CD1-CG1 3.5Å; I218-V301 HydrophobicContact CG1-CG1 3.78Å; V227-V301 HydrophobicContact CG1-CG1 4.01Å; V227-V301 HydrophobicContact CG1-CG2 3.62Å; F253-V301 HydrophobicContact CE1-CG1 4.47Å; F253-V301 HydrophobicContact CZ-CG1 4.44Å; Y279-V301 PolarHBondContact N-O 2.88Å; Y279-V301 PolarHBondContact O-N 2.81Å; I281-V301 HydrophobicContact CD1-CB 4.46Å; I281-V301 HydrophobicContact CD1-CG2 3.7Å; I281-V301 HydrophobicContact CG1-CG2 4.4Å |
| 302 | Q | 95.9 | Very high | 95.3 | Very high | 90 Ų | 90 | 53.7 Ų | 53.7 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 143.3 | 175.8 | -66.4 | -179.7 | -18.1 | 0 | 0 | 109.6 | S216 L217 I218 E278 | S216-Q302 PolarHBondContact O-N 2.8Å; L217-Q302 WeakPolarHBondContact CA-O 3.11Å; L217-Q302 HydrophobicContact CD1-CB 3.86Å; I218-Q302 PolarHBondContact N-O 3.37Å; E278-Q302 HydrophobicContact CG-CG 4.11Å; E278-Q302 WeakPolarHBondContact OE1-CG 3.28Å; E278-Q302 PolarHBondContact OE1-NE2 3.01Å |
| 303 | V | 95.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.3 | 177.4 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | I218 E220 L271 R273 A277 Y279 | I218-V303 CarbonylContact O-C 3.59Å; I218-V303 WeakPolarHBondContact O-CA 3.33Å; E220-V303 HydrophobicContact CB-CG1 3.61Å; L271-V303 HydrophobicContact CB-CG1 4.42Å; L271-V303 HydrophobicContact CB-CG2 4.43Å; L271-V303 HydrophobicContact CD1-CG2 3.94Å; R273-V303 HydrophobicContact CB-CB 4.17Å; R273-V303 HydrophobicContact CB-CG1 3.84Å; R273-V303 HydrophobicContact CG-CB 4.19Å; R273-V303 HydrophobicContact CG-CG1 4.32Å; A277-V303 PolarHBondContact O-N 3.47Å; Y279-V303 HydrophobicContact CD2-CG2 4.07Å; Y279-V303 HydrophobicContact CE2-CG2 3.8Å |
| 304 | S | 94.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.8 | 176.4 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | I218 P219 E220 | I218-S304 PolarHBondContact O-N 3.19Å; I218-S304 PolarHBondContact O-OG 3.33Å; P219-S304 VanDerWaalsContact CA-OG 3.25Å; P219-S304 WeakPolarHBondContact CA-OG 3.07Å; E220-S304 PolarHBondContact N-O 2.71Å |
| 305 | D | 94.5 | Very high | 95.5 | Very high | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -49.4 | 128 | 178.5 | -153.1 | 85.3 | 0 | 0 | 0 | 114.6 | E220 R273 S342 N345 | E220-D305 WeakPolarHBondContact OE1-CA 3.21Å; R273-D305 VanDerWaalsContact CD-OD1 3.29Å; R273-D305 WeakPolarHBondContact CD-OD1 3.2Å; R273-D305 IonicContact CZ-OD1 3.52Å; R273-D305 IonicContact NE-OD1 3.2Å; R273-D305 PolarHBondContact NE-OD1 2.72Å; R273-D305 IonicContact NH2-OD1 2.72Å; R273-D305 PolarHBondContact NH2-OD1 2.96Å; D305-S342 VanDerWaalsContact CG-CB 3.46Å; D305-S342 WeakPolarHBondContact OD1-CA 3.39Å; D305-S342 WeakPolarHBondContact OD1-CB 3.01Å; D305-S342 PolarHBondContact OD1-N 3.48Å; D305-S342 PolarHBondContact OD2-N 2.99Å; D305-N345 VanDerWaalsContact OD2-CB 3.31Å; D305-N345 WeakPolarHBondContact OD2-CB 3.4Å; D305-N345 PolarHBondContact OD2-ND2 2.88Å |
| 306 | V | 94.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | trans | -125.8 | 130.2 | 172.6 | 175.8 | 0 | 0 | 0 | 0 | 108.8 | P219 E220 D308 | P219-V306 HydrophobicContact CB-CG2 4.21Å; E220-V306 HydrophobicContact CG-CB 3.77Å; E220-V306 HydrophobicContact CG-CG2 3.86Å; E220-V306 PolarHBondContact OE1-N 3.38Å; V306-D308 PolarHBondContact O-N 2.89Å | ||
| 307 | N | 95 | Very high | 95.3 | Very high | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -69.7 | 87.4 | -172 | -160.4 | 111.2 | 0 | 0 | 0 | 112.7 | D341 N345 D397 G399 | N307-D341 VanDerWaalsContact CA-OD2 3.24Å; N307-D341 WeakPolarHBondContact CA-OD2 3.18Å; N307-N345 HydrophobicContact CB-CB 4.06Å; N307-N345 PolarHBondContact N-ND2 2.9Å; N307-N345 WeakPolarHBondContact OD1-CA 3.37Å; N307-N345 WeakPolarHBondContact OD1-CB 3.41Å; N307-N345 PolarHBondContact OD1-OD1 3.03Å; N307-D397 PolarHBondContact ND2-OD2 2.75Å; N307-G399 WeakPolarHBondContact OD1-CA 3.49Å |
| 308 | D | 93.4 | Very high | 95.4 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | trans | -122.1 | -20.9 | -174.6 | 96.9 | -21 | 0 | 0 | 0 | 114.4 | N221 V306 D341 | N221-D308 PolarHBondContact ND2-OD2 2.68Å; V306-D308 PolarHBondContact O-N 2.89Å; D308-D341 PolarHBondContact N-OD2 3.07Å | ||
| 309 | N | 94.5 | Very high | 95.4 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -85.6 | 149 | 166.5 | -61.1 | -92.1 | 0 | 0 | 0 | 110 | R340 D341 L403 | N309-R340 HydrophobicContact CB-CB 4.16Å; N309-D341 WeakPolarHBondContact CB-OD1 3.24Å; N309-D341 PolarHBondContact N-OD1 3.19Å; N309-D341 PolarHBondContact ND2-OD1 2.75Å; N309-L403 WeakPolarHBondContact O-CD1 3.24Å |
| 310 | A | 95.7 | Very high | 95.4 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | trans | -105.3 | 147.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A312 L403 | A310-A312 PolarHBondContact O-N 2.79Å; A310-L403 HydrophobicContact CB-CB 3.86Å | ||
| 311 | P | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -55.1 | 116.2 | -178.4 | -27.2 | 31.2 | 0 | 0 | 0 | 112.1 | A337 D339 V348 A395 D397 S405 | P311-A337 HydrophobicContact CB-CB 4.3Å; P311-D339 VanDerWaalsContact CA-OD2 3.26Å; P311-D339 WeakPolarHBondContact CA-OD2 3.27Å; P311-D339 WeakPolarHBondContact CD-OD2 3.24Å; P311-D339 WeakPolarHBondContact CG-OD2 3.43Å; P311-V348 HydrophobicContact CB-CG1 3.96Å; P311-V348 HydrophobicContact CB-CG2 3.87Å; P311-V348 HydrophobicContact CG-CG1 4.36Å; P311-V348 HydrophobicContact CG-CG2 4.15Å; P311-A395 HydrophobicContact CB-CB 3.83Å; P311-D397 HydrophobicContact CG-CB 4.02Å; P311-S405 VanDerWaalsContact O-CB 3.27Å; P311-S405 WeakPolarHBondContact O-CB 3.34Å; P311-S405 PolarHBondContact O-OG 3.26Å | ||
| 312 | A | 96.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 45% | 0.446 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A310 A337 T338 | A310-A312 PolarHBondContact O-N 2.79Å; A312-A337 CarbonylContact O-C 3.45Å; A312-A337 WeakPolarHBondContact O-CA 3.18Å; A312-T338 PolarHBondContact N-O 3.47Å; A312-T338 PolarHBondContact O-N 2.94Å |
| 313 | F | 96.9 | Very high | 95.2 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 139.7 | 174 | -78.4 | -79.6 | 0 | 0 | 0 | 112.5 | Q315 Y318 V335 S336 A337 Y350 V393 A395 S405 A407 | F313-Q315 WeakPolarHBondContact CB-O 3.18Å; F313-Q315 PolarHBondContact O-N 3.42Å; F313-Y318 HydrophobicContact CD1-CE2 4.09Å; F313-V335 HydrophobicContact CD1-CB 4.46Å; F313-V335 HydrophobicContact CE1-CB 4.18Å; F313-V335 HydrophobicContact CE1-CG2 3.96Å; F313-S336 WeakPolarHBondContact CA-O 3.21Å; F313-S336 WeakPolarHBondContact CD1-O 3.39Å; F313-A337 HydrophobicContact CD1-CB 3.84Å; F313-A337 HydrophobicContact CD2-CB 4.41Å; F313-A337 HydrophobicContact CE1-CB 4.14Å; F313-A337 HydrophobicContact CG-CB 3.99Å; F313-Y350 HydrophobicContact CE1-CD1 4.24Å; F313-Y350 HydrophobicContact CE1-CE1 4.1Å; F313-V393 HydrophobicContact CE1-CG1 4.4Å; F313-V393 WeakPolarHBondContact CE2-O 3.4Å; F313-V393 HydrophobicContact CZ-CB 4.35Å; F313-V393 HydrophobicContact CZ-CG1 4.09Å; F313-V393 WeakPolarHBondContact CZ-O 3.43Å; F313-A395 HydrophobicContact CD2-CB 4.32Å; F313-A395 HydrophobicContact CE1-CB 4.2Å; F313-A395 HydrophobicContact CE2-CB 3.54Å; F313-A395 HydrophobicContact CZ-CB 3.47Å; F313-A395 VanDerWaalsContact CZ-CB 3.47Å; F313-S405 VanDerWaalsContact CD2-OG 3.24Å; F313-S405 WeakPolarHBondContact CD2-OG 3.25Å; F313-A407 HydrophobicContact CB-CB 4.01Å; F313-A407 HydrophobicContact CD1-CB 3.9Å; F313-A407 HydrophobicContact CD2-CB 3.61Å; F313-A407 HydrophobicContact CE1-CB 4.24Å; F313-A407 HydrophobicContact CE2-CB 3.98Å; F313-A407 HydrophobicContact CG-CB 3.57Å; F313-A407 HydrophobicContact CZ-CB 4.27Å |
| 314 | T | 95.3 | Very high | 95.1 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -63.7 | -21.8 | 177.4 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | Y318 S336 | T314-Y318 PolarHBondContact N-OH 3.08Å; T314-Y318 PolarHBondContact OG1-OH 2.92Å; T314-S336 PolarHBondContact N-O 2.9Å; T314-S336 PolarHBondContact OG1-O 3.42Å |
| 315 | Q | 94.7 | Very high | 95 | Very high | 104 Ų | 104 | 59.7 Ų | 59.7 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | trans | -141.8 | 141.9 | 174.3 | -56.4 | -177.6 | -3.7 | 0 | 0 | 109.5 | F313 S317 Y318 | F313-Q315 WeakPolarHBondContact CB-O 3.18Å; F313-Q315 PolarHBondContact O-N 3.42Å; Q315-S317 VanDerWaalsContact C-N 3.3Å; Q315-Y318 HydrophobicContact CB-CD1 4.14Å; Q315-Y318 HydrophobicContact CB-CD2 4.43Å; Q315-Y318 HydrophobicContact CB-CE1 3.81Å; Q315-Y318 HydrophobicContact CB-CE2 4.11Å; Q315-Y318 HydrophobicContact CB-CG 4.45Å; Q315-Y318 HydrophobicContact CG-CD1 4.35Å; Q315-Y318 HydrophobicContact CG-CE1 3.95Å; Q315-Y318 PolarHBondContact N-OH 3.25Å; Q315-Y318 VanDerWaalsContact O-CE2 3.24Å; Q315-Y318 WeakPolarHBondContact O-CE2 3.19Å | ||
| 316 | T | 93.3 | Very high | 94.9 | Very high | 125 Ų | 125 | 58.5 Ų | 58.5 | 77% | 0.767 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -72.8 | -24.5 | 173.6 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | L408 | T316-L408 PolarHBondContact O-N 2.92Š|
| 317 | S | 95.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 128.2 | 173.8 | 62.5 | 0 | 0 | 0 | 0 | 112 | Q315 L408 | Q315-S317 VanDerWaalsContact C-N 3.3Å; S317-L408 CarbonylContact C-O 3.57Å; S317-L408 VanDerWaalsContact CA-O 3.22Å; S317-L408 WeakPolarHBondContact CA-O 3.3Å |
| 318 | Y | 96.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 62.7 Ų | 62.7 | 6% | 0.055 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135 | 174.8 | -58 | -96.7 | 0 | 0 | 0 | 109.6 | F313 T314 Q315 V335 S336 A407 L408 V409 R410 | F313-Y318 HydrophobicContact CD1-CE2 4.09Å; T314-Y318 PolarHBondContact N-OH 3.08Å; T314-Y318 PolarHBondContact OG1-OH 2.92Å; Q315-Y318 HydrophobicContact CB-CD1 4.14Å; Q315-Y318 HydrophobicContact CB-CD2 4.43Å; Q315-Y318 HydrophobicContact CB-CE1 3.81Å; Q315-Y318 HydrophobicContact CB-CE2 4.11Å; Q315-Y318 HydrophobicContact CB-CG 4.45Å; Q315-Y318 HydrophobicContact CG-CD1 4.35Å; Q315-Y318 HydrophobicContact CG-CE1 3.95Å; Q315-Y318 PolarHBondContact N-OH 3.25Å; Q315-Y318 VanDerWaalsContact O-CE2 3.24Å; Q315-Y318 WeakPolarHBondContact O-CE2 3.19Å; Y318-V335 HydrophobicContact CD1-CG1 4.16Å; Y318-V335 HydrophobicContact CD2-CB 4.33Å; Y318-V335 HydrophobicContact CD2-CG1 3.58Å; Y318-V335 HydrophobicContact CE1-CB 4.35Å; Y318-V335 HydrophobicContact CE1-CG1 4.27Å; Y318-V335 HydrophobicContact CE2-CB 3.94Å; Y318-V335 HydrophobicContact CE2-CG1 3.72Å; Y318-V335 HydrophobicContact CG-CG1 3.82Å; Y318-S336 PolarHBondContact OH-N 3.04Å; Y318-S336 PolarHBondContact OH-O 2.95Å; Y318-A407 HydrophobicContact CD2-CB 4.2Å; Y318-A407 HydrophobicContact CE2-CB 3.79Å; Y318-L408 PolarHBondContact N-O 3.45Å; Y318-V409 HydrophobicContact CD2-CG2 4.36Å; Y318-R410 PolarHBondContact O-N 2.75Å |
| 319 | T | 96.5 | Very high | 94.4 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119 | 168.9 | -59.5 | 0 | 0 | 0 | 0 | 109.3 | F321 R410 L412 | T319-F321 HydrophobicContact CG2-CE2 4.03Å; T319-F321 HydrophobicContact CG2-CZ 3.98Å; T319-R410 CarbonylContact C-O 3.59Å; T319-R410 WeakPolarHBondContact CA-O 3.4Å; T319-L412 HydrophobicContact CG2-CD1 3.71Å; T319-L412 HydrophobicContact CG2-CG 4.19Å |
| 320 | L | 95.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.7 | -178.8 | -59 | 179.5 | 0 | 0 | 0 | 110.2 | I332 L375 V409 R410 L412 | L320-I332 HydrophobicContact CB-CG2 3.96Å; L320-I332 HydrophobicContact CD1-CG2 4.09Å; L320-L375 HydrophobicContact CD1-CD1 3.64Å; L320-V409 HydrophobicContact CD1-CG1 3.83Å; L320-V409 HydrophobicContact CG-CG1 4.27Å; L320-R410 PolarHBondContact N-O 2.94Å; L320-L412 PolarHBondContact O-N 3.24Å |
| 321 | F | 95.2 | Very high | 94.4 | Very high | 123 Ų | 123 | 65.5 Ų | 65.5 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.4 | -178.9 | -61.2 | -90.8 | 0 | 0 | 0 | 109.6 | T319 L412 L414 | T319-F321 HydrophobicContact CG2-CE2 4.03Å; T319-F321 HydrophobicContact CG2-CZ 3.98Å; F321-L412 WeakPolarHBondContact CA-O 3.31Å; F321-L412 HydrophobicContact CD1-CB 3.92Å; F321-L412 HydrophobicContact CD1-CD1 4.16Å; F321-L412 HydrophobicContact CE1-CB 4.19Å; F321-L412 HydrophobicContact CE1-CD1 3.55Å; F321-L412 HydrophobicContact CE1-CG 4.43Å; F321-L412 HydrophobicContact CZ-CD1 4.06Å; F321-L414 HydrophobicContact CB-CD1 4.03Å; F321-L414 HydrophobicContact CB-CG 4.34Å; F321-L414 HydrophobicContact CD1-CD2 4.04Å; F321-L414 HydrophobicContact CD1-CG 4.4Å |
| 322 | V | 95.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.9 | 178.8 | 57.3 | 0 | 0 | 0 | 0 | 108.7 | L330 I332 L381 L411 L412 V413 L414 | V322-L330 HydrophobicContact CG2-CD2 4.11Å; V322-I332 HydrophobicContact CB-CG2 4.25Å; V322-L381 HydrophobicContact CG1-CD1 3.51Å; V322-L381 HydrophobicContact CG2-CD1 4.26Å; V322-L411 HydrophobicContact CG1-CD1 4.2Å; V322-L411 HydrophobicContact CG1-CD2 3.46Å; V322-L411 VanDerWaalsContact CG1-CD2 3.46Å; V322-L411 HydrophobicContact CG1-CG 3.9Å; V322-L412 PolarHBondContact N-O 2.87Å; V322-V413 HydrophobicContact CG1-CG2 4.4Å; V322-V413 CarbonylContact O-C 3.59Å; V322-V413 VanDerWaalsContact O-CA 3.31Å; V322-V413 WeakPolarHBondContact O-CA 3.31Å; V322-L414 PolarHBondContact O-N 2.77Å |
| 323 | R | 93.2 | Very high | 94.1 | Very high | 187 Ų | 187 | 64.6 Ų | 64.6 | 71% | 0.706 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 142.6 | 171.7 | -70.8 | 179.6 | -179.7 | 172.6 | -1.7 | 109.4 | L414 | R323-L414 HydrophobicContact CG-CB 4.03Å; R323-L414 HydrophobicContact CG-CD1 4.36Å |
| 324 | E | 93.7 | Very high | 94 | Very high | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -64.5 | 177 | 169.1 | 74.3 | -173.3 | 131.2 | 0 | 0 | 112.2 | N326 L381 Y383 V413 L414 D415 A416 | E324-N326 PolarHBondContact O-N 2.84Å; E324-L381 WeakPolarHBondContact CB-O 3.45Å; E324-Y383 WeakPolarHBondContact OE1-CB 3.12Å; E324-Y383 VanDerWaalsContact OE2-CB 3.23Å; E324-Y383 WeakPolarHBondContact OE2-CB 3.14Å; E324-Y383 PolarHBondContact OE2-N 2.87Å; E324-V413 HydrophobicContact CB-CG1 3.77Å; E324-L414 PolarHBondContact N-O 2.91Å; E324-D415 VanDerWaalsContact OE1-CA 3.25Å; E324-D415 WeakPolarHBondContact OE1-CA 3.3Å; E324-A416 HydrophobicContact CG-CB 4.17Å; E324-A416 PolarHBondContact OE1-N 3.04Å |
| 325 | N | 92.1 | Very high | 94 | Very high | 99 Ų | 99 | 62.2 Ų | 62.2 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 53.8 | 22.2 | -174 | -81.9 | -70.9 | 0 | 0 | 0 | 113.1 | L381 D418 | N325-L381 PolarHBondContact N-O 3.47Å; N325-D418 VanDerWaalsContact ND2-CG 3.33Å; N325-D418 PolarHBondContact ND2-OD2 2.79Å |
| 326 | N | 92.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 150.2 | 178.5 | 62.5 | -84.9 | 0 | 0 | 0 | 111.6 | E324 L330 R379 S380 L381 | E324-N326 PolarHBondContact O-N 2.84Å; N326-L330 HydrophobicContact CB-CB 4.28Å; N326-L330 HydrophobicContact CB-CD2 3.56Å; N326-R379 PolarHBondContact ND2-O 3.29Å; N326-S380 WeakPolarHBondContact O-CA 3.09Å; N326-S380 WeakPolarHBondContact O-CB 3.24Å; N326-L381 WeakPolarHBondContact OD1-CB 3.49Å; N326-L381 PolarHBondContact OD1-N 2.99Å |
| 327 | S | 92.5 | Very high | 94.2 | Very high | 75 Ų | 75 | 54 Ų | 54 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 139.9 | 164.9 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | L330 | S327-L330 VanDerWaalsContact O-CB 3.27Å; S327-L330 WeakPolarHBondContact O-CB 3.31Å; S327-L330 PolarHBondContact O-N 3.2Å |
| 328 | P | 90.2 | Very high | 94.2 | Very high | 85 Ų | 85 | 55 Ų | 55 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 147.6 | 162.1 | -26 | 35.8 | 0 | 0 | 0 | 111.2 | L330 | P328-L330 PolarHBondContact O-N 3.35Š|
| 329 | A | 90.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 23.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H331 A377 | A329-H331 PolarHBondContact O-N 3.27Å; A329-A377 VanDerWaalsContact CA-O 3.25Å; A329-A377 WeakPolarHBondContact CA-O 3.03Å; A329-A377 PolarHBondContact N-O 3.19Å |
| 330 | L | 94.1 | Very high | 94.2 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 130.1 | 169.7 | 177.1 | 64.6 | 0 | 0 | 0 | 110.5 | V322 N326 S327 P328 I332 F376 A377 | V322-L330 HydrophobicContact CG2-CD2 4.11Å; N326-L330 HydrophobicContact CB-CB 4.28Å; N326-L330 HydrophobicContact CB-CD2 3.56Å; S327-L330 VanDerWaalsContact O-CB 3.27Å; S327-L330 WeakPolarHBondContact O-CB 3.31Å; S327-L330 PolarHBondContact O-N 3.2Å; P328-L330 PolarHBondContact O-N 3.35Å; L330-I332 PolarHBondContact O-N 3Å; L330-F376 CarbonylContact O-C 3.56Å; L330-F376 VanDerWaalsContact O-CA 3.27Å; L330-F376 WeakPolarHBondContact O-CA 3.24Å; L330-A377 PolarHBondContact O-N 3.46Å |
| 331 | H | 95.1 | Very high | 94.2 | Very high | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.375 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 117.9 | 169.3 | 178.5 | -100.7 | 0 | 0 | 0 | 111 | A329 G333 H374 F376 | A329-H331 PolarHBondContact O-N 3.27Å; H331-G333 PolarHBondContact NE2-O 2.97Å; H331-H374 AromaticContact CD2-ND1 3.47Å; H331-H374 PolarHBondContact CD2-ND1 2.84Å; H331-H374 AromaticContact CE1-ND1 3.99Å; H331-H374 AromaticContact NE2-CE1 3.77Å; H331-H374 AromaticContact NE2-CG 3.52Å; H331-H374 AromaticContact NE2-ND1 2.99Å; H331-H374 PolarHBondContact NE2-ND1 3.02Å; H331-F376 HydrophobicContact CB-CD1 4Å; H331-F376 HydrophobicContact CB-CE1 3.86Å; H331-F376 AromaticContact CD2-CE1 3.89Å; H331-F376 AromaticContact CD2-CZ 3.95Å |
| 332 | I | 94 | Very high | 94.2 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 11% | 0.108 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -36.7 | -177.2 | -54.7 | 157.6 | 0 | 0 | 0 | 111.1 | L320 V322 L330 V366 L375 A377 L411 | L320-I332 HydrophobicContact CB-CG2 3.96Å; L320-I332 HydrophobicContact CD1-CG2 4.09Å; V322-I332 HydrophobicContact CB-CG2 4.25Å; L330-I332 PolarHBondContact O-N 3Å; I332-V366 HydrophobicContact CD1-CG1 4.31Å; I332-V366 HydrophobicContact CD1-CG2 4.25Å; I332-L375 PolarHBondContact N-O 2.97Å; I332-A377 HydrophobicContact CD1-CB 3.95Å; I332-A377 HydrophobicContact CG1-CB 3.99Å; I332-L411 HydrophobicContact CD1-CD1 3.86Å; I332-L411 HydrophobicContact CG2-CD1 4.25Å |
| 333 | G | 93.4 | Very high | 94.1 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.4 | -174.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | H331 L375 | H331-G333 PolarHBondContact NE2-O 2.97Å; G333-L375 WeakPolarHBondContact O-CB 3.45Å; G333-L375 PolarHBondContact O-N 3.04Å |
| 334 | S | 94.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 151.3 | 177.2 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | G373 | S334-G373 WeakPolarHBondContact CA-O 3.27Å |
| 335 | V | 96.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | trans | -106.7 | 156.8 | 161.7 | -61.9 | 0 | 0 | 0 | 0 | 108.9 | F313 Y318 Y350 I368 G373 L375 V393 V409 | F313-V335 HydrophobicContact CD1-CB 4.46Å; F313-V335 HydrophobicContact CE1-CB 4.18Å; F313-V335 HydrophobicContact CE1-CG2 3.96Å; Y318-V335 HydrophobicContact CD1-CG1 4.16Å; Y318-V335 HydrophobicContact CD2-CB 4.33Å; Y318-V335 HydrophobicContact CD2-CG1 3.58Å; Y318-V335 HydrophobicContact CE1-CB 4.35Å; Y318-V335 HydrophobicContact CE1-CG1 4.27Å; Y318-V335 HydrophobicContact CE2-CB 3.94Å; Y318-V335 HydrophobicContact CE2-CG1 3.72Å; Y318-V335 HydrophobicContact CG-CG1 3.82Å; V335-Y350 HydrophobicContact CG2-CD1 4.17Å; V335-Y350 HydrophobicContact CG2-CE1 4.37Å; V335-I368 HydrophobicContact CG2-CD1 3.93Å; V335-G373 PolarHBondContact N-O 3.48Å; V335-L375 HydrophobicContact CG1-CD1 4.09Å; V335-V393 HydrophobicContact CG2-CG1 4.03Å; V335-V409 HydrophobicContact CG1-CG2 3.82Å | ||
| 336 | S | 95.5 | Very high | 94.2 | Very high | 51 Ų | 51 | 54 Ų | 54 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | trans | -139.2 | 134.2 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | F313 T314 Y318 | F313-S336 WeakPolarHBondContact CA-O 3.21Å; F313-S336 WeakPolarHBondContact CD1-O 3.39Å; T314-S336 PolarHBondContact N-O 2.9Å; T314-S336 PolarHBondContact OG1-O 3.42Å; Y318-S336 PolarHBondContact OH-N 3.04Å; Y318-S336 PolarHBondContact OH-O 2.95Å | ||
| 337 | A | 96.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P311 A312 F313 V348 Y350 A395 | P311-A337 HydrophobicContact CB-CB 4.3Å; A312-A337 CarbonylContact O-C 3.45Å; A312-A337 WeakPolarHBondContact O-CA 3.18Å; F313-A337 HydrophobicContact CD1-CB 3.84Å; F313-A337 HydrophobicContact CD2-CB 4.41Å; F313-A337 HydrophobicContact CE1-CB 4.14Å; F313-A337 HydrophobicContact CG-CB 3.99Å; A337-V348 HydrophobicContact CB-CG1 4.28Å; A337-Y350 HydrophobicContact CB-CE1 4.04Å; A337-Y350 PolarHBondContact N-OH 3.03Å; A337-Y350 PolarHBondContact O-OH 2.71Å; A337-Y350 VanDerWaalsContact O-OH 3.08Å; A337-A395 HydrophobicContact CB-CB 3.67Å |
| 338 | T | 95.4 | Very high | 94.5 | Very high | 84 Ų | 84 | 55 Ų | 55 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.7 | 178.1 | 51.9 | 0 | 0 | 0 | 0 | 108.7 | A312 | A312-T338 PolarHBondContact N-O 3.47Å; A312-T338 PolarHBondContact O-N 2.94Å |
| 339 | D | 96.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | trans | -84.8 | 170.1 | 165.6 | -137 | -62 | 0 | 0 | 0 | 111.6 | P311 D341 A346 V348 | P311-D339 VanDerWaalsContact CA-OD2 3.26Å; P311-D339 WeakPolarHBondContact CA-OD2 3.27Å; P311-D339 WeakPolarHBondContact CD-OD2 3.24Å; P311-D339 WeakPolarHBondContact CG-OD2 3.43Å; D339-D341 PolarHBondContact OD1-N 3.49Å; D339-A346 HydrophobicContact CB-CB 3.84Å; D339-V348 HydrophobicContact CB-CG2 4.06Å | ||
| 340 | R | 95.4 | Very high | 95.1 | Very high | 177 Ų | 177 | 50.1 Ų | 50.1 | 67% | 0.668 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -111.2 | -24.5 | 176.5 | -68.1 | -175.3 | 168.8 | -167.4 | -3.1 | 113.7 | R273 E274 N309 | R273-R340 PolarHBondContact NH2-O 3.41Å; E274-R340 HydrophobicContact CG-CB 3.77Å; N309-R340 HydrophobicContact CB-CB 4.16Å |
| 341 | D | 96.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -63.1 | -162.4 | -179.8 | -62.6 | 4.5 | 0 | 0 | 0 | 111.6 | R273 N307 D308 N309 D339 N345 A346 | R273-D341 PolarHBondContact NH2-O 3.32Å; N307-D341 VanDerWaalsContact CA-OD2 3.24Å; N307-D341 WeakPolarHBondContact CA-OD2 3.18Å; D308-D341 PolarHBondContact N-OD2 3.07Å; N309-D341 WeakPolarHBondContact CB-OD1 3.24Å; N309-D341 PolarHBondContact N-OD1 3.19Å; N309-D341 PolarHBondContact ND2-OD1 2.75Å; D339-D341 PolarHBondContact OD1-N 3.49Å; D341-N345 HydrophobicContact CB-CB 3.65Å; D341-A346 VanDerWaalsContact C-CB 3.49Å; D341-A346 HydrophobicContact CB-CB 4.38Å; D341-A346 VanDerWaalsContact O-CB 3.25Å; D341-A346 WeakPolarHBondContact O-CB 3.09Å |
| 342 | S | 94.1 | Very high | 95.1 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | trans | -135.9 | 157.8 | -174.1 | -162.7 | 0 | 0 | 0 | 0 | 113.9 | D305 I344 N345 A346 | D305-S342 VanDerWaalsContact CG-CB 3.46Å; D305-S342 WeakPolarHBondContact OD1-CA 3.39Å; D305-S342 WeakPolarHBondContact OD1-CB 3.01Å; D305-S342 PolarHBondContact OD1-N 3.48Å; D305-S342 PolarHBondContact OD2-N 2.99Å; S342-I344 PolarHBondContact O-N 3.48Å; S342-N345 PolarHBondContact O-N 2.57Å; S342-A346 PolarHBondContact O-N 3.43Å | ||
| 343 | G | 93.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 49.1 Ų | 49.1 | 68% | 0.68 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -103.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 344 | I | 93.8 | Very high | 94.9 | Very high | 110 Ų | 110 | 53.7 Ų | 53.7 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -34.6 | -177.9 | -60.1 | 175.9 | 0 | 0 | 0 | 110.9 | S342 Q347 R398 | S342-I344 PolarHBondContact O-N 3.48Å; I344-Q347 VanDerWaalsContact O-CB 3.31Å; I344-Q347 WeakPolarHBondContact O-CB 3.26Å; I344-Q347 PolarHBondContact O-N 2.85Å; I344-R398 HydrophobicContact CG2-CB 3.75Å; I344-R398 WeakPolarHBondContact CG2-O 3.23Å |
| 345 | N | 94.1 | Very high | 94.5 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.16 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -47.2 | 179.5 | -64.4 | -10.7 | 0 | 0 | 0 | 109.3 | D305 N307 D341 S342 Q347 D397 | D305-N345 VanDerWaalsContact OD2-CB 3.31Å; D305-N345 WeakPolarHBondContact OD2-CB 3.4Å; D305-N345 PolarHBondContact OD2-ND2 2.88Å; N307-N345 HydrophobicContact CB-CB 4.06Å; N307-N345 PolarHBondContact N-ND2 2.9Å; N307-N345 WeakPolarHBondContact OD1-CA 3.37Å; N307-N345 WeakPolarHBondContact OD1-CB 3.41Å; N307-N345 PolarHBondContact OD1-OD1 3.03Å; D341-N345 HydrophobicContact CB-CB 3.65Å; S342-N345 PolarHBondContact O-N 2.57Å; N345-Q347 PolarHBondContact O-N 3.38Å; N345-D397 WeakPolarHBondContact O-CB 3.49Å |
| 346 | A | 94.1 | Very high | 93.7 | Very high | 32 Ų | 32 | 60 Ų | 60 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 5.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | D339 D341 S342 V348 | D339-A346 HydrophobicContact CB-CB 3.84Å; D341-A346 VanDerWaalsContact C-CB 3.49Å; D341-A346 HydrophobicContact CB-CB 4.38Å; D341-A346 VanDerWaalsContact O-CB 3.25Å; D341-A346 WeakPolarHBondContact O-CB 3.09Å; S342-A346 PolarHBondContact O-N 3.43Å; A346-V348 VanDerWaalsContact C-N 3.35Å; A346-V348 PolarHBondContact O-N 2.8Å |
| 347 | Q | 95.1 | Very high | 93 | Very high | 86 Ų | 86 | 61.4 Ų | 61.4 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | trans | -82.1 | 78.4 | 179.9 | -167.5 | 170.4 | 37.3 | 0 | 0 | 112.3 | I344 N345 R398 | I344-Q347 VanDerWaalsContact O-CB 3.31Å; I344-Q347 WeakPolarHBondContact O-CB 3.26Å; I344-Q347 PolarHBondContact O-N 2.85Å; N345-Q347 PolarHBondContact O-N 3.38Å; Q347-R398 HydrophobicContact CB-CB 4.49Å; Q347-R398 HydrophobicContact CB-CG 4.46Å; Q347-R398 VanDerWaalsContact OE1-CD 3.3Å | ||
| 348 | V | 95.9 | Very high | 92.1 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | trans | -57 | 136.4 | 175.3 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | P311 A337 D339 A346 Y350 A395 | P311-V348 HydrophobicContact CB-CG1 3.96Å; P311-V348 HydrophobicContact CB-CG2 3.87Å; P311-V348 HydrophobicContact CG-CG1 4.36Å; P311-V348 HydrophobicContact CG-CG2 4.15Å; A337-V348 HydrophobicContact CB-CG1 4.28Å; D339-V348 HydrophobicContact CB-CG2 4.06Å; A346-V348 VanDerWaalsContact C-N 3.35Å; A346-V348 PolarHBondContact O-N 2.8Å; V348-Y350 HydrophobicContact CG1-CE1 4.31Å; V348-Y350 HydrophobicContact CG1-CE2 4.16Å; V348-A395 HydrophobicContact CG1-CB 3.87Å | ||
| 349 | T | 96.5 | Very high | 91.4 | Very high | 30 Ų | 30 | 70.4 Ų | 70.4 | 18% | 0.184 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.1 | 168.1 | 58.5 | 0 | 0 | 0 | 0 | 111 | A370 A395 T396 R398 | T349-A370 WeakPolarHBondContact CA-O 3.47Å; T349-A395 WeakPolarHBondContact O-CA 3.43Å; T349-T396 PolarHBondContact N-O 2.93Å; T349-T396 PolarHBondContact O-N 3.08Å; T349-T396 PolarHBondContact OG1-O 3.13Å; T349-R398 HydrophobicContact CG2-CG 4.36Å; T349-R398 VanDerWaalsContact CG2-NE 3.25Å; T349-R398 VanDerWaalsContact CG2-NH2 3.3Å |
| 350 | Y | 96.9 | Very high | 90.8 | Very high | 22 Ų | 22 | 70.3 Ų | 70.3 | 9% | 0.086 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.9 | -175.7 | -59.5 | -89.8 | 0 | 0 | 0 | 112.4 | F313 V335 A337 V348 I368 A370 G373 G394 A395 | F313-Y350 HydrophobicContact CE1-CD1 4.24Å; F313-Y350 HydrophobicContact CE1-CE1 4.1Å; V335-Y350 HydrophobicContact CG2-CD1 4.17Å; V335-Y350 HydrophobicContact CG2-CE1 4.37Å; A337-Y350 HydrophobicContact CB-CE1 4.04Å; A337-Y350 PolarHBondContact N-OH 3.03Å; A337-Y350 PolarHBondContact O-OH 2.71Å; A337-Y350 VanDerWaalsContact O-OH 3.08Å; V348-Y350 HydrophobicContact CG1-CE1 4.31Å; V348-Y350 HydrophobicContact CG1-CE2 4.16Å; Y350-I368 HydrophobicContact CG-CD1 4.48Å; Y350-A370 WeakPolarHBondContact CD2-O 3.37Å; Y350-A370 PolarHBondContact N-O 2.96Å; Y350-A370 WeakPolarHBondContact O-CA 3.39Å; Y350-A370 WeakPolarHBondContact O-CB 3.35Å; Y350-G373 VanDerWaalsContact CD2-N 3.35Å; Y350-G394 WeakPolarHBondContact CA-O 3.36Å; Y350-A395 HydrophobicContact CD1-CB 4.39Å; Y350-A395 HydrophobicContact CE1-CB 4.43Å |
| 351 | S | 95.9 | Very high | 90.4 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.5 | 178.6 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | V393 G394 | S351-V393 CarbonylContact O-C 3.59Å; S351-V393 WeakPolarHBondContact O-CA 3.31Å; S351-V393 WeakPolarHBondContact O-CG1 3.29Å; S351-G394 PolarHBondContact N-O 2.85Å; S351-G394 PolarHBondContact O-N 2.95Å |
| 352 | L | 94.6 | Very high | 90.1 | Very high | 50 Ų | 50 | 64.7 Ų | 64.7 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123.2 | 168.2 | -62.8 | -175.9 | 0 | 0 | 0 | 108.8 | L362 V366 I368 L375 F391 V393 | L352-L362 HydrophobicContact CD1-CG 4.47Å; L352-V366 HydrophobicContact CD1-CG1 4.47Å; L352-V366 VanDerWaalsContact CD1-O 3.27Å; L352-V366 WeakPolarHBondContact CD1-O 3.21Å; L352-I368 HydrophobicContact CD2-CB 4Å; L352-I368 HydrophobicContact CD2-CG2 4.05Å; L352-I368 HydrophobicContact CG-CB 4.23Å; L352-I368 HydrophobicContact CG-CG2 3.88Å; L352-L375 HydrophobicContact CD2-CD2 4.1Å; L352-F391 HydrophobicContact CD2-CD2 3.99Å; L352-F391 HydrophobicContact CD2-CE2 3.79Å; L352-V393 HydrophobicContact CD2-CG2 4.07Å |
| 353 | L | 92.9 | Very high | 89.8 | Confident | 50 Ų | 50 | 67 Ų | 67 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 158.5 | 175.8 | -63.3 | 174.8 | 0 | 0 | 0 | 110.4 | R392 E406 | L353-R392 HydrophobicContact CB-CB 4.12Å; L353-R392 HydrophobicContact CD1-CB 3.99Å; L353-R392 PolarHBondContact N-O 2.79Å; L353-E406 HydrophobicContact CD1-CB 3.69Å |
| 354 | P | 88.9 | Confident | 89.7 | Confident | 111 Ų | 111 | 66.1 Ų | 66.1 | 72% | 0.721 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 133.3 | 177.9 | -26.5 | 35.6 | 0 | 0 | 0 | 112 | ||
| 355 | P | 85.9 | Confident | 89.5 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 28% | 0.279 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 144.6 | 179.1 | 28.2 | -34.7 | 0 | 0 | 0 | 110.7 | D357 L360 L362 | P355-D357 VanDerWaalsContact C-N 3.3Å; P355-L360 HydrophobicContact CB-CB 4.49Å; P355-L360 HydrophobicContact CB-CD2 4.31Å; P355-L362 HydrophobicContact CB-CB 4.31Å; P355-L362 HydrophobicContact CB-CD2 4.25Å; P355-L362 HydrophobicContact CG-CB 4.22Å |
| 356 | Q | 79.6 | Confident | 89.5 | Confident | 153 Ų | 153 | 59.6 Ų | 59.6 | 72% | 0.715 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -72 | -26 | 177.3 | -67 | -168 | -28.9 | 0 | 0 | 112.4 | ||
| 357 | D | 81.3 | Confident | 89.6 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 43% | 0.428 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -92.3 | 113.7 | 165.5 | 178.4 | 10.5 | 0 | 0 | 0 | 109.9 | P355 H359 L360 | P355-D357 VanDerWaalsContact C-N 3.3Å; D357-H359 PolarHBondContact O-N 2.92Å; D357-H359 WeakPolarHBondContact OD1-CB 3.06Å; D357-H359 IonicContact OD1-CD2 3.54Å; D357-H359 IonicContact OD1-CG 3.82Å; D357-H359 PolarHBondContact OD1-N 2.74Å; D357-L360 HydrophobicContact CB-CB 4.2Å; D357-L360 PolarHBondContact O-N 2.91Å |
| 358 | P | 78.1 | Confident | 89.6 | Confident | 113 Ų | 113 | 57.1 Ų | 57.1 | 73% | 0.734 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.7 | 177.5 | 31.2 | -36.7 | 0 | 0 | 0 | 113.6 | ||
| 359 | H | 80.9 | Confident | 89.6 | Confident | 166 Ų | 166 | 58.7 Ų | 58.7 | 77% | 0.769 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -14.6 | 174.5 | -61.9 | -72.1 | 0 | 0 | 0 | 113.3 | D357 P361 | D357-H359 PolarHBondContact O-N 2.92Å; D357-H359 WeakPolarHBondContact OD1-CB 3.06Å; D357-H359 IonicContact OD1-CD2 3.54Å; D357-H359 IonicContact OD1-CG 3.82Å; D357-H359 PolarHBondContact OD1-N 2.74Å; H359-P361 VanDerWaalsContact O-CD 3.3Å; H359-P361 WeakPolarHBondContact O-CD 3.07Å |
| 360 | L | 84 | Confident | 89.6 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | trans | -77.5 | 114 | 176.1 | -177.1 | 70.9 | 0 | 0 | 0 | 110.3 | P355 D357 L362 L365 L386 F389 | P355-L360 HydrophobicContact CB-CB 4.49Å; P355-L360 HydrophobicContact CB-CD2 4.31Å; D357-L360 HydrophobicContact CB-CB 4.2Å; D357-L360 PolarHBondContact O-N 2.91Å; L360-L362 HydrophobicContact CD2-CB 4.48Å; L360-L362 PolarHBondContact O-N 3.43Å; L360-L365 HydrophobicContact CD1-CD1 3.66Å; L360-L365 HydrophobicContact CG-CD1 4.25Å; L360-L386 HydrophobicContact CD1-CD2 4.26Å; L360-F389 HydrophobicContact CD1-CB 3.99Å; L360-F389 HydrophobicContact CD1-CD2 4.42Å; L360-F389 HydrophobicContact CD1-CG 4.22Å; L360-F389 HydrophobicContact CD2-CB 4.13Å; L360-F389 HydrophobicContact CD2-CD2 4.08Å; L360-F389 HydrophobicContact CD2-CG 4.44Å | ||
| 361 | P | 87.3 | Confident | 89.4 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | trans | -83 | 59.3 | -177.2 | 37.2 | -37.2 | 0 | 0 | 0 | 110.7 | H359 S363 S364 L365 | H359-P361 VanDerWaalsContact O-CD 3.3Å; H359-P361 WeakPolarHBondContact O-CD 3.07Å; P361-S363 VanDerWaalsContact C-N 3.29Å; P361-S363 PolarHBondContact O-N 2.91Å; P361-S364 WeakPolarHBondContact CB-OG 3.48Å; P361-S364 WeakPolarHBondContact O-CA 3.27Å; P361-S364 WeakPolarHBondContact O-CB 3.27Å; P361-S364 PolarHBondContact O-N 2.81Å; P361-S364 PolarHBondContact O-OG 3.37Å; P361-L365 HydrophobicContact CG-CD1 4.23Å; P361-L365 PolarHBondContact O-N 3.41Å | ||
| 362 | L | 89.2 | Confident | 89.4 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -51.7 | -43.3 | -169.4 | 178.8 | 63.3 | 0 | 0 | 0 | 113.1 | L352 P355 L360 S364 L365 V366 F389 F391 | L352-L362 HydrophobicContact CD1-CG 4.47Å; P355-L362 HydrophobicContact CB-CB 4.31Å; P355-L362 HydrophobicContact CB-CD2 4.25Å; P355-L362 HydrophobicContact CG-CB 4.22Å; L360-L362 HydrophobicContact CD2-CB 4.48Å; L360-L362 PolarHBondContact O-N 3.43Å; L362-S364 PolarHBondContact O-N 3.18Å; L362-S364 VanDerWaalsContact O-N 3.12Å; L362-L365 WeakPolarHBondContact O-CB 3.37Å; L362-L365 PolarHBondContact O-N 2.84Å; L362-V366 HydrophobicContact CD1-CB 4.29Å; L362-V366 HydrophobicContact CD1-CG2 4.44Å; L362-V366 PolarHBondContact O-N 2.88Å; L362-F389 HydrophobicContact CD1-CD2 4.48Å; L362-F389 HydrophobicContact CD1-CE2 4.09Å; L362-F391 HydrophobicContact CD1-CB 3.8Å; L362-F391 HydrophobicContact CD1-CD1 3.87Å; L362-F391 HydrophobicContact CD1-CD2 4.26Å; L362-F391 HydrophobicContact CD1-CE1 4.48Å; L362-F391 HydrophobicContact CD1-CG 3.73Å; L362-F391 HydrophobicContact CD2-CB 3.57Å; L362-F391 HydrophobicContact CD2-CD2 4.39Å; L362-F391 HydrophobicContact CD2-CG 4.15Å; L362-F391 HydrophobicContact CG-CB 4.35Å |
| 363 | S | 87.6 | Confident | 89.4 | Confident | 105 Ų | 105 | 62.8 Ų | 62.8 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67 | -7 | 178.3 | 53.4 | 0 | 0 | 0 | 0 | 115 | P361 L378 | P361-S363 VanDerWaalsContact C-N 3.29Å; P361-S363 PolarHBondContact O-N 2.91Å; S363-L378 VanDerWaalsContact O-CD1 3.25Å; S363-L378 WeakPolarHBondContact O-CD1 3.34Å |
| 364 | S | 90.1 | Very high | 89.5 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -106 | -8.6 | 169.6 | 76.4 | 0 | 0 | 0 | 0 | 113.5 | P361 L362 R379 | P361-S364 WeakPolarHBondContact CB-OG 3.48Å; P361-S364 WeakPolarHBondContact O-CA 3.27Å; P361-S364 WeakPolarHBondContact O-CB 3.27Å; P361-S364 PolarHBondContact O-N 2.81Å; P361-S364 PolarHBondContact O-OG 3.37Å; L362-S364 PolarHBondContact O-N 3.18Å; L362-S364 VanDerWaalsContact O-N 3.12Å; S364-R379 WeakPolarHBondContact O-CD 3.38Å; S364-R379 PolarHBondContact OG-NH1 2.7Å |
| 365 | L | 91 | Very high | 89.9 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -99.3 | -48.5 | -178.6 | -79.8 | 160.7 | 0 | 0 | 0 | 111 | L360 P361 L362 A377 L378 R379 L381 L386 F389 | L360-L365 HydrophobicContact CD1-CD1 3.66Å; L360-L365 HydrophobicContact CG-CD1 4.25Å; P361-L365 HydrophobicContact CG-CD1 4.23Å; P361-L365 PolarHBondContact O-N 3.41Å; L362-L365 WeakPolarHBondContact O-CB 3.37Å; L362-L365 PolarHBondContact O-N 2.84Å; L365-A377 CarbonylContact O-C 3.53Å; L365-A377 WeakPolarHBondContact O-CA 3.38Å; L365-L378 PolarHBondContact O-N 3.03Å; L365-R379 VanDerWaalsContact CD2-CZ 3.46Å; L365-L381 HydrophobicContact CD2-CD2 3.46Å; L365-L381 VanDerWaalsContact CD2-CD2 3.46Å; L365-L386 HydrophobicContact CD1-CD2 4.11Å; L365-L386 HydrophobicContact CD2-CD2 4.23Å; L365-F389 HydrophobicContact CB-CE2 4.47Å; L365-F389 HydrophobicContact CB-CZ 4.13Å; L365-F389 HydrophobicContact CD1-CE1 4.49Å; L365-F389 HydrophobicContact CD1-CE2 4.44Å; L365-F389 HydrophobicContact CD1-CZ 4.29Å; L365-F389 HydrophobicContact CD2-CE1 4.33Å; L365-F389 HydrophobicContact CD2-CZ 4.35Å |
| 366 | V | 94 | Very high | 90.3 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.3 | -171.3 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | I332 L352 L362 L375 F376 F389 F391 L411 | I332-V366 HydrophobicContact CD1-CG1 4.31Å; I332-V366 HydrophobicContact CD1-CG2 4.25Å; L352-V366 HydrophobicContact CD1-CG1 4.47Å; L352-V366 VanDerWaalsContact CD1-O 3.27Å; L352-V366 WeakPolarHBondContact CD1-O 3.21Å; L362-V366 HydrophobicContact CD1-CB 4.29Å; L362-V366 HydrophobicContact CD1-CG2 4.44Å; L362-V366 PolarHBondContact O-N 2.88Å; V366-L375 HydrophobicContact CG1-CD2 3.77Å; V366-F376 CarbonylContact C-O 3.57Å; V366-F376 VanDerWaalsContact CA-O 3.3Å; V366-F376 WeakPolarHBondContact CA-O 3.26Å; V366-F389 HydrophobicContact CG2-CE2 3.82Å; V366-F389 HydrophobicContact CG2-CZ 3.79Å; V366-F391 HydrophobicContact CG1-CE2 4.41Å; V366-F391 HydrophobicContact CG1-CZ 4.02Å; V366-F391 HydrophobicContact CG2-CE1 4.32Å; V366-F391 HydrophobicContact CG2-CZ 4.42Å; V366-L411 HydrophobicContact CG2-CD1 4.21Å |
| 367 | S | 95 | Very high | 91 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 158.2 | 160.9 | 60.9 | 0 | 0 | 0 | 0 | 110.7 | L375 F376 | S367-L375 WeakPolarHBondContact O-CA 3.05Å; S367-F376 PolarHBondContact N-O 3.46Å; S367-F376 PolarHBondContact O-N 2.93Å |
| 368 | I | 96.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.5 | 169 | -162.6 | 166 | 0 | 0 | 0 | 109.5 | V335 Y350 L352 H374 L375 V393 | V335-I368 HydrophobicContact CG2-CD1 3.93Å; Y350-I368 HydrophobicContact CG-CD1 4.48Å; L352-I368 HydrophobicContact CD2-CB 4Å; L352-I368 HydrophobicContact CD2-CG2 4.05Å; L352-I368 HydrophobicContact CG-CB 4.23Å; L352-I368 HydrophobicContact CG-CG2 3.88Å; I368-H374 CarbonylContact C-O 3.56Å; I368-H374 WeakPolarHBondContact CA-O 3.23Å; I368-L375 HydrophobicContact CB-CD2 3.83Å; I368-L375 HydrophobicContact CD1-CD2 3.92Å; I368-L375 HydrophobicContact CD1-CG 4.36Å; I368-L375 HydrophobicContact CG1-CD2 3.86Å; I368-L375 HydrophobicContact CG1-CG 4.3Å; I368-V393 HydrophobicContact CD1-CG1 3.39Å; I368-V393 HydrophobicContact CD1-CG2 4.29Å |
| 369 | N | 96.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | trans | -82.3 | 120.7 | 167.4 | 176.8 | -22.4 | 0 | 0 | 0 | 109.2 | D371 N372 G373 H374 F376 | N369-D371 VanDerWaalsContact C-N 3.27Å; N369-D371 PolarHBondContact O-N 2.97Å; N369-D371 PolarHBondContact OD1-N 3.3Å; N369-N372 VanDerWaalsContact CB-OD1 3.24Å; N369-N372 WeakPolarHBondContact CB-OD1 3.36Å; N369-N372 PolarHBondContact ND2-OD1 3.29Å; N369-N372 PolarHBondContact O-N 2.89Å; N369-G373 PolarHBondContact O-N 3.01Å; N369-H374 HydrophobicContact CB-CB 4.42Å; N369-H374 PolarHBondContact N-O 2.85Å; N369-F376 HydrophobicContact CB-CE2 4.24Å | ||
| 370 | A | 95.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -21.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T349 Y350 | T349-A370 WeakPolarHBondContact CA-O 3.47Å; Y350-A370 WeakPolarHBondContact CD2-O 3.37Å; Y350-A370 PolarHBondContact N-O 2.96Å; Y350-A370 WeakPolarHBondContact O-CA 3.39Å; Y350-A370 WeakPolarHBondContact O-CB 3.35Å |
| 371 | D | 94.2 | Very high | 93.2 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 66% | 0.663 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -18.2 | -176.2 | -59.4 | -46.9 | 0 | 0 | 0 | 113.2 | N369 | N369-D371 VanDerWaalsContact C-N 3.27Å; N369-D371 PolarHBondContact O-N 2.97Å; N369-D371 PolarHBondContact OD1-N 3.3Å |
| 372 | N | 93.9 | Very high | 93.5 | Very high | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141 | -0.8 | -173.6 | 75.4 | 4.8 | 0 | 0 | 0 | 116.4 | N369 H374 | N369-N372 VanDerWaalsContact CB-OD1 3.24Å; N369-N372 WeakPolarHBondContact CB-OD1 3.36Å; N369-N372 PolarHBondContact ND2-OD1 3.29Å; N369-N372 PolarHBondContact O-N 2.89Å; N372-H374 VanDerWaalsContact C-N 3.26Å; N372-H374 PolarHBondContact ND2-CD2 2.87Å; N372-H374 PolarHBondContact O-CD2 2.94Å; N372-H374 PolarHBondContact O-N 3.33Å; N372-H374 VanDerWaalsContact OD1-CB 3.31Å; N372-H374 WeakPolarHBondContact OD1-CB 3.22Å; N372-H374 PolarHBondContact OD1-CD2 2.84Å; N372-H374 PolarHBondContact OD1-N 3.49Å; N372-H374 VanDerWaalsContact OD1-N 3.08Å |
| 373 | G | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | 72.6 | 9.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S334 V335 Y350 N369 | S334-G373 WeakPolarHBondContact CA-O 3.27Å; V335-G373 PolarHBondContact N-O 3.48Å; Y350-G373 VanDerWaalsContact CD2-N 3.35Å; N369-G373 PolarHBondContact O-N 3.01Å | ||
| 374 | H | 96.4 | Very high | 94.1 | Very high | 63 Ų | 63 | 45.9 Ų | 45.9 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.1 | 174.8 | -74.6 | -135 | 0 | 0 | 0 | 111.1 | H331 I368 N369 N372 F376 | H331-H374 AromaticContact CD2-ND1 3.47Å; H331-H374 PolarHBondContact CD2-ND1 2.84Å; H331-H374 AromaticContact CE1-ND1 3.99Å; H331-H374 AromaticContact NE2-CE1 3.77Å; H331-H374 AromaticContact NE2-CG 3.52Å; H331-H374 AromaticContact NE2-ND1 2.99Å; H331-H374 PolarHBondContact NE2-ND1 3.02Å; I368-H374 CarbonylContact C-O 3.56Å; I368-H374 WeakPolarHBondContact CA-O 3.23Å; N369-H374 HydrophobicContact CB-CB 4.42Å; N369-H374 PolarHBondContact N-O 2.85Å; N372-H374 VanDerWaalsContact C-N 3.26Å; N372-H374 PolarHBondContact ND2-CD2 2.87Å; N372-H374 PolarHBondContact O-CD2 2.94Å; N372-H374 PolarHBondContact O-N 3.33Å; N372-H374 VanDerWaalsContact OD1-CB 3.31Å; N372-H374 WeakPolarHBondContact OD1-CB 3.22Å; N372-H374 PolarHBondContact OD1-CD2 2.84Å; N372-H374 PolarHBondContact OD1-N 3.49Å; N372-H374 VanDerWaalsContact OD1-N 3.08Å; H374-F376 HydrophobicContact CB-CE2 3.58Å; H374-F376 HydrophobicContact CB-CZ 3.9Å |
| 375 | L | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.3 | -179.7 | -71.1 | 162.4 | 0 | 0 | 0 | 111 | L320 I332 G333 V335 L352 V366 S367 I368 F391 V409 | L320-L375 HydrophobicContact CD1-CD1 3.64Å; I332-L375 PolarHBondContact N-O 2.97Å; G333-L375 WeakPolarHBondContact O-CB 3.45Å; G333-L375 PolarHBondContact O-N 3.04Å; V335-L375 HydrophobicContact CG1-CD1 4.09Å; L352-L375 HydrophobicContact CD2-CD2 4.1Å; V366-L375 HydrophobicContact CG1-CD2 3.77Å; S367-L375 WeakPolarHBondContact O-CA 3.05Å; I368-L375 HydrophobicContact CB-CD2 3.83Å; I368-L375 HydrophobicContact CD1-CD2 3.92Å; I368-L375 HydrophobicContact CD1-CG 4.36Å; I368-L375 HydrophobicContact CG1-CD2 3.86Å; I368-L375 HydrophobicContact CG1-CG 4.3Å; L375-F391 HydrophobicContact CD1-CZ 4.38Å; L375-F391 HydrophobicContact CD2-CE2 4.04Å; L375-F391 HydrophobicContact CD2-CZ 4.21Å; L375-V409 HydrophobicContact CD1-CG1 4.15Å; L375-V409 HydrophobicContact CD1-CG2 4.39Å |
| 376 | F | 95.4 | Very high | 94.1 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.9 | -177.5 | -59.3 | -95.3 | 0 | 0 | 0 | 111.7 | L330 H331 V366 S367 N369 H374 L378 | L330-F376 CarbonylContact O-C 3.56Å; L330-F376 VanDerWaalsContact O-CA 3.27Å; L330-F376 WeakPolarHBondContact O-CA 3.24Å; H331-F376 HydrophobicContact CB-CD1 4Å; H331-F376 HydrophobicContact CB-CE1 3.86Å; H331-F376 AromaticContact CD2-CE1 3.89Å; H331-F376 AromaticContact CD2-CZ 3.95Å; V366-F376 CarbonylContact C-O 3.57Å; V366-F376 VanDerWaalsContact CA-O 3.3Å; V366-F376 WeakPolarHBondContact CA-O 3.26Å; S367-F376 PolarHBondContact N-O 3.46Å; S367-F376 PolarHBondContact O-N 2.93Å; N369-F376 HydrophobicContact CB-CE2 4.24Å; H374-F376 HydrophobicContact CB-CE2 3.58Å; H374-F376 HydrophobicContact CB-CZ 3.9Å; F376-L378 PolarHBondContact O-N 3.25Å |
| 377 | A | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 114.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | A329 L330 I332 L365 R379 | A329-A377 VanDerWaalsContact CA-O 3.25Å; A329-A377 WeakPolarHBondContact CA-O 3.03Å; A329-A377 PolarHBondContact N-O 3.19Å; L330-A377 PolarHBondContact O-N 3.46Å; I332-A377 HydrophobicContact CD1-CB 3.95Å; I332-A377 HydrophobicContact CG1-CB 3.99Å; L365-A377 CarbonylContact O-C 3.53Å; L365-A377 WeakPolarHBondContact O-CA 3.38Å; A377-R379 VanDerWaalsContact C-N 3.29Å; A377-R379 PolarHBondContact O-N 2.95Å |
| 378 | L | 93.1 | Very high | 94 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -73.4 | -21.5 | -177.3 | -71.6 | 174.8 | 0 | 0 | 0 | 113.3 | S363 L365 F376 | S363-L378 VanDerWaalsContact O-CD1 3.25Å; S363-L378 WeakPolarHBondContact O-CD1 3.34Å; L365-L378 PolarHBondContact O-N 3.03Å; F376-L378 PolarHBondContact O-N 3.25Å |
| 379 | R | 91.6 | Very high | 93.8 | Very high | 99 Ų | 99 | 54 Ų | 54 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -136.5 | 167.8 | 178.1 | 66.6 | -174.6 | -156.1 | -151.2 | 13 | 111 | N326 S364 L365 A377 L381 | N326-R379 PolarHBondContact ND2-O 3.29Å; S364-R379 WeakPolarHBondContact O-CD 3.38Å; S364-R379 PolarHBondContact OG-NH1 2.7Å; L365-R379 VanDerWaalsContact CD2-CZ 3.46Å; A377-R379 VanDerWaalsContact C-N 3.29Å; A377-R379 PolarHBondContact O-N 2.95Å; R379-L381 PolarHBondContact O-N 3.45Å |
| 380 | S | 93 | Very high | 93.7 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 46% | 0.462 | 30% | 0.298 | S | S | . | . | trans | -62.4 | 131.2 | 163.4 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | N326 | N326-S380 WeakPolarHBondContact O-CA 3.09Å; N326-S380 WeakPolarHBondContact O-CB 3.24Å | ||
| 381 | L | 93.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | trans | -89.1 | 162.7 | 169.5 | -58.5 | 176.6 | 0 | 0 | 0 | 109.7 | V322 E324 N325 N326 L365 R379 F389 L411 V413 | V322-L381 HydrophobicContact CG1-CD1 3.51Å; V322-L381 HydrophobicContact CG2-CD1 4.26Å; E324-L381 WeakPolarHBondContact CB-O 3.45Å; N325-L381 PolarHBondContact N-O 3.47Å; N326-L381 WeakPolarHBondContact OD1-CB 3.49Å; N326-L381 PolarHBondContact OD1-N 2.99Å; L365-L381 HydrophobicContact CD2-CD2 3.46Å; L365-L381 VanDerWaalsContact CD2-CD2 3.46Å; R379-L381 PolarHBondContact O-N 3.45Å; L381-F389 HydrophobicContact CD2-CE1 4.49Å; L381-L411 HydrophobicContact CD1-CD2 4.11Å; L381-V413 HydrophobicContact CB-CG1 4.43Å; L381-V413 HydrophobicContact CB-CG2 4.28Å; L381-V413 HydrophobicContact CD1-CG2 4.08Å | ||
| 382 | D | 93.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 43% | 0.428 | 26% | 0.264 | S | S | . | . | trans | -147.7 | 117.9 | -164.8 | 165.2 | -26.4 | 0 | 0 | 0 | 104.5 | E384 A385 L386 | D382-E384 PolarHBondContact OD1-N 2.78Å; D382-A385 HydrophobicContact CB-CB 4.14Å; D382-A385 VanDerWaalsContact CG-CB 3.41Å; D382-A385 WeakPolarHBondContact OD1-CB 3.28Å; D382-A385 PolarHBondContact OD1-N 3.23Å; D382-L386 PolarHBondContact O-N 2.78Å | ||
| 383 | Y | 94.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.7 | -42.4 | -171.4 | -178.7 | -96.2 | 0 | 0 | 0 | 111.3 | E324 A385 L386 Q387 V413 D415 | E324-Y383 WeakPolarHBondContact OE1-CB 3.12Å; E324-Y383 VanDerWaalsContact OE2-CB 3.23Å; E324-Y383 WeakPolarHBondContact OE2-CB 3.14Å; E324-Y383 PolarHBondContact OE2-N 2.87Å; Y383-A385 PolarHBondContact O-N 3.44Å; Y383-L386 PolarHBondContact O-N 3.03Å; Y383-Q387 HydrophobicContact CD1-CG 4.11Å; Y383-Q387 HydrophobicContact CD2-CB 4.23Å; Y383-Q387 HydrophobicContact CD2-CG 4.06Å; Y383-Q387 HydrophobicContact CE1-CG 3.83Å; Y383-Q387 HydrophobicContact CE2-CB 3.87Å; Y383-Q387 HydrophobicContact CE2-CG 3.79Å; Y383-Q387 HydrophobicContact CG-CG 4.21Å; Y383-Q387 WeakPolarHBondContact O-CG 3.25Å; Y383-Q387 PolarHBondContact O-N 2.89Å; Y383-V413 HydrophobicContact CD2-CB 4.07Å; Y383-V413 HydrophobicContact CD2-CG1 4.08Å; Y383-V413 WeakPolarHBondContact CD2-O 3.2Å; Y383-V413 WeakPolarHBondContact CE2-O 3.48Å; Y383-D415 HydrophobicContact CD1-CB 3.97Å; Y383-D415 HydrophobicContact CD2-CB 4.1Å; Y383-D415 HydrophobicContact CE1-CB 4.05Å; Y383-D415 HydrophobicContact CE2-CB 4.16Å; Y383-D415 HydrophobicContact CG-CB 4.01Å |
| 384 | E | 93.6 | Very high | 93.8 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 33% | 0.327 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -35.4 | 177 | -75.1 | 65.4 | -112.4 | 0 | 0 | 112 | D382 N419 G456 | D382-E384 PolarHBondContact OD1-N 2.78Å; E384-N419 PolarHBondContact OE2-ND2 2.86Å; E384-G456 WeakPolarHBondContact CG-O 3.49Å |
| 385 | A | 91.2 | Very high | 93.8 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -82.8 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | D382 Y383 | D382-A385 HydrophobicContact CB-CB 4.14Å; D382-A385 VanDerWaalsContact CG-CB 3.41Å; D382-A385 WeakPolarHBondContact OD1-CB 3.28Å; D382-A385 PolarHBondContact OD1-N 3.23Å; Y383-A385 PolarHBondContact O-N 3.44Å |
| 386 | L | 90.7 | Very high | 93.9 | Very high | 52 Ų | 52 | 47.2 Ų | 47.2 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -154.4 | 75.3 | -174.2 | -169.2 | 59.5 | 0 | 0 | 0 | 114.3 | L360 L365 D382 Y383 S388 F389 V413 | L360-L386 HydrophobicContact CD1-CD2 4.26Å; L365-L386 HydrophobicContact CD1-CD2 4.11Å; L365-L386 HydrophobicContact CD2-CD2 4.23Å; D382-L386 PolarHBondContact O-N 2.78Å; Y383-L386 PolarHBondContact O-N 3.03Å; L386-S388 VanDerWaalsContact C-N 3.28Å; L386-S388 PolarHBondContact O-N 2.91Å; L386-F389 HydrophobicContact CD2-CD1 3.52Å; L386-F389 HydrophobicContact CD2-CE1 3.94Å; L386-F389 HydrophobicContact CD2-CG 4.27Å; L386-F389 HydrophobicContact CG-CD1 3.88Å; L386-V413 WeakPolarHBondContact O-CG2 3.43Å |
| 387 | Q | 92.9 | Very high | 93.9 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -53.4 | -34.6 | 178.4 | -58.5 | -176.4 | -14.3 | 0 | 0 | 115.2 | Y383 V413 | Y383-Q387 HydrophobicContact CD1-CG 4.11Å; Y383-Q387 HydrophobicContact CD2-CB 4.23Å; Y383-Q387 HydrophobicContact CD2-CG 4.06Å; Y383-Q387 HydrophobicContact CE1-CG 3.83Å; Y383-Q387 HydrophobicContact CE2-CB 3.87Å; Y383-Q387 HydrophobicContact CE2-CG 3.79Å; Y383-Q387 HydrophobicContact CG-CG 4.21Å; Y383-Q387 WeakPolarHBondContact O-CG 3.25Å; Y383-Q387 PolarHBondContact O-N 2.89Å; Q387-V413 PolarHBondContact O-N 2.79Å |
| 388 | S | 93.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 148.9 | 178.5 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | L386 L411 | L386-S388 VanDerWaalsContact C-N 3.28Å; L386-S388 PolarHBondContact O-N 2.91Å; S388-L411 VanDerWaalsContact CA-O 3.3Å; S388-L411 WeakPolarHBondContact CA-O 3.36Å |
| 389 | F | 92.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.6 | 168.2 | 59.8 | -86.1 | 0 | 0 | 0 | 112.3 | L360 L362 L365 V366 L381 L386 F391 L411 | L360-F389 HydrophobicContact CD1-CB 3.99Å; L360-F389 HydrophobicContact CD1-CD2 4.42Å; L360-F389 HydrophobicContact CD1-CG 4.22Å; L360-F389 HydrophobicContact CD2-CB 4.13Å; L360-F389 HydrophobicContact CD2-CD2 4.08Å; L360-F389 HydrophobicContact CD2-CG 4.44Å; L362-F389 HydrophobicContact CD1-CD2 4.48Å; L362-F389 HydrophobicContact CD1-CE2 4.09Å; L365-F389 HydrophobicContact CB-CE2 4.47Å; L365-F389 HydrophobicContact CB-CZ 4.13Å; L365-F389 HydrophobicContact CD1-CE1 4.49Å; L365-F389 HydrophobicContact CD1-CE2 4.44Å; L365-F389 HydrophobicContact CD1-CZ 4.29Å; L365-F389 HydrophobicContact CD2-CE1 4.33Å; L365-F389 HydrophobicContact CD2-CZ 4.35Å; V366-F389 HydrophobicContact CG2-CE2 3.82Å; V366-F389 HydrophobicContact CG2-CZ 3.79Å; L381-F389 HydrophobicContact CD2-CE1 4.49Å; L386-F389 HydrophobicContact CD2-CD1 3.52Å; L386-F389 HydrophobicContact CD2-CE1 3.94Å; L386-F389 HydrophobicContact CD2-CG 4.27Å; L386-F389 HydrophobicContact CG-CD1 3.88Å; F389-F391 AromaticContact CD2-CD1 3.91Å; F389-F391 HydrophobicContact CD2-CD1 3.91Å; F389-F391 HydrophobicContact CD2-CE1 4.33Å; F389-F391 AromaticContact CE2-CD1 3.87Å; F389-F391 HydrophobicContact CE2-CD1 3.87Å; F389-F391 AromaticContact CE2-CE1 3.91Å; F389-F391 HydrophobicContact CE2-CE1 3.91Å; F389-L411 HydrophobicContact CD1-CD2 4.11Å; F389-L411 HydrophobicContact CE1-CD1 4.25Å; F389-L411 HydrophobicContact CE1-CD2 3.55Å; F389-L411 HydrophobicContact CE1-CG 4.32Å; F389-L411 HydrophobicContact CE2-CB 4.39Å; F389-L411 HydrophobicContact CE2-CD1 4.24Å; F389-L411 HydrophobicContact CZ-CB 4.34Å; F389-L411 HydrophobicContact CZ-CD1 3.72Å; F389-L411 HydrophobicContact CZ-CD2 3.91Å; F389-L411 HydrophobicContact CZ-CG 4.21Å; F389-L411 PolarHBondContact N-O 2.99Å; F389-L411 PolarHBondContact O-N 3.04Å |
| 390 | E | 93.5 | Very high | 93.8 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.2 | -176.5 | -73.5 | 173.4 | -150.1 | 0 | 0 | 110.1 | L408 V409 R410 | E390-L408 HydrophobicContact CB-CD1 4.38Å; E390-V409 WeakPolarHBondContact CA-O 3.47Å; E390-R410 HydrophobicContact CG-CB 3.93Å; E390-R410 HydrophobicContact CG-CG 3.74Å; E390-R410 WeakPolarHBondContact OE1-CD 3.28Å; E390-R410 IonicContact OE1-CZ 3.09Å; E390-R410 IonicContact OE1-NE 3.29Å; E390-R410 PolarHBondContact OE1-NE 2.91Å; E390-R410 IonicContact OE1-NH2 2.69Å |
| 391 | F | 93.7 | Very high | 93.9 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.022 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 161.6 | 179.4 | 59.8 | -85 | 0 | 0 | 0 | 110.9 | L352 L362 V366 L375 F389 V393 V409 L411 | L352-F391 HydrophobicContact CD2-CD2 3.99Å; L352-F391 HydrophobicContact CD2-CE2 3.79Å; L362-F391 HydrophobicContact CD1-CB 3.8Å; L362-F391 HydrophobicContact CD1-CD1 3.87Å; L362-F391 HydrophobicContact CD1-CD2 4.26Å; L362-F391 HydrophobicContact CD1-CE1 4.48Å; L362-F391 HydrophobicContact CD1-CG 3.73Å; L362-F391 HydrophobicContact CD2-CB 3.57Å; L362-F391 HydrophobicContact CD2-CD2 4.39Å; L362-F391 HydrophobicContact CD2-CG 4.15Å; L362-F391 HydrophobicContact CG-CB 4.35Å; V366-F391 HydrophobicContact CG1-CE2 4.41Å; V366-F391 HydrophobicContact CG1-CZ 4.02Å; V366-F391 HydrophobicContact CG2-CE1 4.32Å; V366-F391 HydrophobicContact CG2-CZ 4.42Å; L375-F391 HydrophobicContact CD1-CZ 4.38Å; L375-F391 HydrophobicContact CD2-CE2 4.04Å; L375-F391 HydrophobicContact CD2-CZ 4.21Å; F389-F391 AromaticContact CD2-CD1 3.91Å; F389-F391 HydrophobicContact CD2-CD1 3.91Å; F389-F391 HydrophobicContact CD2-CE1 4.33Å; F389-F391 AromaticContact CE2-CD1 3.87Å; F389-F391 HydrophobicContact CE2-CD1 3.87Å; F389-F391 AromaticContact CE2-CE1 3.91Å; F389-F391 HydrophobicContact CE2-CE1 3.91Å; F391-V393 HydrophobicContact CD2-CG2 4.07Å; F391-V393 HydrophobicContact CE2-CG2 3.8Å; F391-V409 HydrophobicContact CD1-CB 4.41Å; F391-V409 HydrophobicContact CD2-CB 4.15Å; F391-V409 HydrophobicContact CE1-CB 4.04Å; F391-V409 HydrophobicContact CE1-CG1 3.8Å; F391-V409 HydrophobicContact CE2-CB 3.75Å; F391-V409 HydrophobicContact CE2-CG1 4.02Å; F391-V409 HydrophobicContact CE2-CG2 4.17Å; F391-V409 HydrophobicContact CG-CB 4.47Å; F391-V409 HydrophobicContact CZ-CB 3.7Å; F391-V409 HydrophobicContact CZ-CG1 3.47Å; F391-V409 VanDerWaalsContact CZ-CG1 3.47Å; F391-V409 HydrophobicContact CZ-CG2 4.45Å; F391-V409 PolarHBondContact N-O 3.43Å; F391-V409 PolarHBondContact O-N 2.86Å; F391-L411 HydrophobicContact CE1-CB 4.27Å |
| 392 | R | 95.1 | Very high | 94 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.6 | 176.2 | -60.1 | -172.6 | -172.3 | -111.1 | -14.8 | 110.5 | L353 E406 A407 L408 | L353-R392 HydrophobicContact CB-CB 4.12Å; L353-R392 HydrophobicContact CD1-CB 3.99Å; L353-R392 PolarHBondContact N-O 2.79Å; R392-E406 WeakPolarHBondContact CD-OE2 3.39Å; R392-E406 IonicContact CZ-OE1 2.67Å; R392-E406 IonicContact NE-OE1 3.3Å; R392-E406 IonicContact NH1-OE1 3.07Å; R392-E406 PolarHBondContact NH1-OE1 2.93Å; R392-A407 WeakPolarHBondContact CA-O 3.47Å; R392-L408 HydrophobicContact CG-CD1 4.17Å |
| 393 | V | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.9 | 170.9 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | F313 V335 S351 L352 I368 F391 E406 A407 V409 | F313-V393 HydrophobicContact CE1-CG1 4.4Å; F313-V393 WeakPolarHBondContact CE2-O 3.4Å; F313-V393 HydrophobicContact CZ-CB 4.35Å; F313-V393 HydrophobicContact CZ-CG1 4.09Å; F313-V393 WeakPolarHBondContact CZ-O 3.43Å; V335-V393 HydrophobicContact CG2-CG1 4.03Å; S351-V393 CarbonylContact O-C 3.59Å; S351-V393 WeakPolarHBondContact O-CA 3.31Å; S351-V393 WeakPolarHBondContact O-CG1 3.29Å; L352-V393 HydrophobicContact CD2-CG2 4.07Å; I368-V393 HydrophobicContact CD1-CG1 3.39Å; I368-V393 HydrophobicContact CD1-CG2 4.29Å; F391-V393 HydrophobicContact CD2-CG2 4.07Å; F391-V393 HydrophobicContact CE2-CG2 3.8Å; V393-E406 VanDerWaalsContact O-CA 3.29Å; V393-E406 WeakPolarHBondContact O-CA 3.25Å; V393-A407 PolarHBondContact N-O 2.82Å; V393-A407 PolarHBondContact O-N 2.91Å; V393-V409 HydrophobicContact CG2-CG2 3.62Å |
| 394 | G | 96.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 139.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y350 S351 S405 | Y350-G394 WeakPolarHBondContact CA-O 3.36Å; S351-G394 PolarHBondContact N-O 2.85Å; S351-G394 PolarHBondContact O-N 2.95Å; G394-S405 WeakPolarHBondContact CA-O 3.39Å |
| 395 | A | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | P311 F313 A337 V348 T349 Y350 S404 S405 | P311-A395 HydrophobicContact CB-CB 3.83Å; F313-A395 HydrophobicContact CD2-CB 4.32Å; F313-A395 HydrophobicContact CE1-CB 4.2Å; F313-A395 HydrophobicContact CE2-CB 3.54Å; F313-A395 HydrophobicContact CZ-CB 3.47Å; F313-A395 VanDerWaalsContact CZ-CB 3.47Å; A337-A395 HydrophobicContact CB-CB 3.67Å; V348-A395 HydrophobicContact CG1-CB 3.87Å; T349-A395 WeakPolarHBondContact O-CA 3.43Å; Y350-A395 HydrophobicContact CD1-CB 4.39Å; Y350-A395 HydrophobicContact CE1-CB 4.43Å; A395-S404 CarbonylContact O-C 3.55Å; A395-S404 WeakPolarHBondContact O-CA 3.35Å; A395-S404 VanDerWaalsContact O-CB 3.23Å; A395-S404 WeakPolarHBondContact O-CB 3.48Å; A395-S405 PolarHBondContact N-O 2.99Å; A395-S405 PolarHBondContact O-N 2.91Å |
| 396 | T | 96.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.264 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.9 | -177.7 | -52.3 | 0 | 0 | 0 | 0 | 108.5 | T349 A402 L403 | T349-T396 PolarHBondContact N-O 2.93Å; T349-T396 PolarHBondContact O-N 3.08Å; T349-T396 PolarHBondContact OG1-O 3.13Å; T396-A402 HydrophobicContact CG2-CB 4.32Å; T396-L403 WeakPolarHBondContact CA-O 3.44Å; T396-L403 WeakPolarHBondContact CG2-O 3.21Å |
| 397 | D | 96.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | trans | -71.1 | -165.7 | 174.8 | 61.8 | 42.4 | 0 | 0 | 0 | 112.6 | N307 P311 N345 G399 A402 L403 | N307-D397 PolarHBondContact ND2-OD2 2.75Å; P311-D397 HydrophobicContact CG-CB 4.02Å; N345-D397 WeakPolarHBondContact O-CB 3.49Å; D397-G399 PolarHBondContact OD1-N 2.74Å; D397-A402 WeakPolarHBondContact OD1-CA 3.42Å; D397-A402 WeakPolarHBondContact OD1-CB 3.48Å; D397-L403 VanDerWaalsContact CG-N 3.27Å; D397-L403 PolarHBondContact N-O 2.81Å; D397-L403 VanDerWaalsContact N-O 3.13Å; D397-L403 PolarHBondContact OD1-N 3.17Å; D397-L403 VanDerWaalsContact OD1-N 3.17Å; D397-L403 VanDerWaalsContact OD2-CA 3.24Å; D397-L403 WeakPolarHBondContact OD2-CA 3.12Å; D397-L403 WeakPolarHBondContact OD2-CB 3.47Å; D397-L403 PolarHBondContact OD2-N 3.02Å | ||
| 398 | R | 94.4 | Very high | 95 | Very high | 111 Ų | 111 | 46.5 Ų | 46.5 | 42% | 0.419 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -122.2 | 26.2 | 167.3 | -67.2 | 179.3 | -178.5 | -178.9 | -0.5 | 112.5 | I344 Q347 T349 | I344-R398 HydrophobicContact CG2-CB 3.75Å; I344-R398 WeakPolarHBondContact CG2-O 3.23Å; Q347-R398 HydrophobicContact CB-CB 4.49Å; Q347-R398 HydrophobicContact CB-CG 4.46Å; Q347-R398 VanDerWaalsContact OE1-CD 3.3Å; T349-R398 HydrophobicContact CG2-CG 4.36Å; T349-R398 VanDerWaalsContact CG2-NE 3.25Å; T349-R398 VanDerWaalsContact CG2-NH2 3.3Å |
| 399 | G | 92.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | trans | -66.6 | -175.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N307 D397 P401 | N307-G399 WeakPolarHBondContact OD1-CA 3.49Å; D397-G399 PolarHBondContact OD1-N 2.74Å; G399-P401 CarbonylContact C-O 3.54Å | ||
| 400 | S | 90.8 | Very high | 95.2 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 81% | 0.811 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -152.4 | 96.3 | 174.5 | -77.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 401 | P | 94.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 43.9 Ų | 43.9 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | S | Bend | cis | -65.9 | 150.1 | 3 | 31.1 | -36.8 | 0 | 0 | 0 | 112.5 | G399 | G399-P401 CarbonylContact C-O 3.54Š|
| 402 | A | 95.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 129.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T396 D397 | T396-A402 HydrophobicContact CG2-CB 4.32Å; D397-A402 WeakPolarHBondContact OD1-CA 3.42Å; D397-A402 WeakPolarHBondContact OD1-CB 3.48Å |
| 403 | L | 96.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 42.1 Ų | 42.1 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -99.9 | 161.5 | 176.5 | -54.7 | 177 | 0 | 0 | 0 | 110.5 | N309 A310 T396 D397 | N309-L403 WeakPolarHBondContact O-CD1 3.24Å; A310-L403 HydrophobicContact CB-CB 3.86Å; T396-L403 WeakPolarHBondContact CA-O 3.44Å; T396-L403 WeakPolarHBondContact CG2-O 3.21Å; D397-L403 VanDerWaalsContact CG-N 3.27Å; D397-L403 PolarHBondContact N-O 2.81Å; D397-L403 VanDerWaalsContact N-O 3.13Å; D397-L403 PolarHBondContact OD1-N 3.17Å; D397-L403 VanDerWaalsContact OD1-N 3.17Å; D397-L403 VanDerWaalsContact OD2-CA 3.24Å; D397-L403 WeakPolarHBondContact OD2-CA 3.12Å; D397-L403 WeakPolarHBondContact OD2-CB 3.47Å; D397-L403 PolarHBondContact OD2-N 3.02Å |
| 404 | S | 96.2 | Very high | 95.3 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 157.3 | -176.7 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | A395 | A395-S404 CarbonylContact O-C 3.55Å; A395-S404 WeakPolarHBondContact O-CA 3.35Å; A395-S404 VanDerWaalsContact O-CB 3.23Å; A395-S404 WeakPolarHBondContact O-CB 3.48Å |
| 405 | S | 96.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 172 | 168.5 | 81.4 | 0 | 0 | 0 | 0 | 111 | P311 F313 G394 A395 | P311-S405 VanDerWaalsContact O-CB 3.27Å; P311-S405 WeakPolarHBondContact O-CB 3.34Å; P311-S405 PolarHBondContact O-OG 3.26Å; F313-S405 VanDerWaalsContact CD2-OG 3.24Å; F313-S405 WeakPolarHBondContact CD2-OG 3.25Å; G394-S405 WeakPolarHBondContact CA-O 3.39Å; A395-S405 PolarHBondContact N-O 2.99Å; A395-S405 PolarHBondContact O-N 2.91Å |
| 406 | E | 96.2 | Very high | 95 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.4 | 176.1 | 53.6 | 161.3 | -139.1 | 0 | 0 | 112.4 | L353 R392 V393 | L353-E406 HydrophobicContact CD1-CB 3.69Å; R392-E406 WeakPolarHBondContact CD-OE2 3.39Å; R392-E406 IonicContact CZ-OE1 2.67Å; R392-E406 IonicContact NE-OE1 3.3Å; R392-E406 IonicContact NH1-OE1 3.07Å; R392-E406 PolarHBondContact NH1-OE1 2.93Å; V393-E406 VanDerWaalsContact O-CA 3.29Å; V393-E406 WeakPolarHBondContact O-CA 3.25Å |
| 407 | A | 96.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F313 Y318 R392 V393 | F313-A407 HydrophobicContact CB-CB 4.01Å; F313-A407 HydrophobicContact CD1-CB 3.9Å; F313-A407 HydrophobicContact CD2-CB 3.61Å; F313-A407 HydrophobicContact CE1-CB 4.24Å; F313-A407 HydrophobicContact CE2-CB 3.98Å; F313-A407 HydrophobicContact CG-CB 3.57Å; F313-A407 HydrophobicContact CZ-CB 4.27Å; Y318-A407 HydrophobicContact CD2-CB 4.2Å; Y318-A407 HydrophobicContact CE2-CB 3.79Å; R392-A407 WeakPolarHBondContact CA-O 3.47Å; V393-A407 PolarHBondContact N-O 2.82Å; V393-A407 PolarHBondContact O-N 2.91Å |
| 408 | L | 95.8 | Very high | 94.6 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 132.8 | 176 | -171.4 | 68.9 | 0 | 0 | 0 | 110.1 | T316 S317 Y318 E390 R392 | T316-L408 PolarHBondContact O-N 2.92Å; S317-L408 CarbonylContact C-O 3.57Å; S317-L408 VanDerWaalsContact CA-O 3.22Å; S317-L408 WeakPolarHBondContact CA-O 3.3Å; Y318-L408 PolarHBondContact N-O 3.45Å; E390-L408 HydrophobicContact CB-CD1 4.38Å; R392-L408 HydrophobicContact CG-CD1 4.17Å |
| 409 | V | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.9 | 170.1 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | Y318 L320 V335 L375 E390 F391 V393 | Y318-V409 HydrophobicContact CD2-CG2 4.36Å; L320-V409 HydrophobicContact CD1-CG1 3.83Å; L320-V409 HydrophobicContact CG-CG1 4.27Å; V335-V409 HydrophobicContact CG1-CG2 3.82Å; L375-V409 HydrophobicContact CD1-CG1 4.15Å; L375-V409 HydrophobicContact CD1-CG2 4.39Å; E390-V409 WeakPolarHBondContact CA-O 3.47Å; F391-V409 HydrophobicContact CD1-CB 4.41Å; F391-V409 HydrophobicContact CD2-CB 4.15Å; F391-V409 HydrophobicContact CE1-CB 4.04Å; F391-V409 HydrophobicContact CE1-CG1 3.8Å; F391-V409 HydrophobicContact CE2-CB 3.75Å; F391-V409 HydrophobicContact CE2-CG1 4.02Å; F391-V409 HydrophobicContact CE2-CG2 4.17Å; F391-V409 HydrophobicContact CG-CB 4.47Å; F391-V409 HydrophobicContact CZ-CB 3.7Å; F391-V409 HydrophobicContact CZ-CG1 3.47Å; F391-V409 VanDerWaalsContact CZ-CG1 3.47Å; F391-V409 HydrophobicContact CZ-CG2 4.45Å; F391-V409 PolarHBondContact N-O 3.43Å; F391-V409 PolarHBondContact O-N 2.86Å; V393-V409 HydrophobicContact CG2-CG2 3.62Å |
| 410 | R | 95.2 | Very high | 94.5 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 111.1 | 175.8 | -175.9 | 170.8 | -150.6 | -100.9 | -15.5 | 108.9 | Y318 T319 L320 E390 L412 | Y318-R410 PolarHBondContact O-N 2.75Å; T319-R410 CarbonylContact C-O 3.59Å; T319-R410 WeakPolarHBondContact CA-O 3.4Å; L320-R410 PolarHBondContact N-O 2.94Å; E390-R410 HydrophobicContact CG-CB 3.93Å; E390-R410 HydrophobicContact CG-CG 3.74Å; E390-R410 WeakPolarHBondContact OE1-CD 3.28Å; E390-R410 IonicContact OE1-CZ 3.09Å; E390-R410 IonicContact OE1-NE 3.29Å; E390-R410 PolarHBondContact OE1-NE 2.91Å; E390-R410 IonicContact OE1-NH2 2.69Å; R410-L412 HydrophobicContact CG-CD2 4.27Å |
| 411 | L | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.1 | 179.6 | -175.2 | 158.3 | 0 | 0 | 0 | 109.4 | V322 I332 V366 L381 S388 F389 F391 V413 | V322-L411 HydrophobicContact CG1-CD1 4.2Å; V322-L411 HydrophobicContact CG1-CD2 3.46Å; V322-L411 VanDerWaalsContact CG1-CD2 3.46Å; V322-L411 HydrophobicContact CG1-CG 3.9Å; I332-L411 HydrophobicContact CD1-CD1 3.86Å; I332-L411 HydrophobicContact CG2-CD1 4.25Å; V366-L411 HydrophobicContact CG2-CD1 4.21Å; L381-L411 HydrophobicContact CD1-CD2 4.11Å; S388-L411 VanDerWaalsContact CA-O 3.3Å; S388-L411 WeakPolarHBondContact CA-O 3.36Å; F389-L411 HydrophobicContact CD1-CD2 4.11Å; F389-L411 HydrophobicContact CE1-CD1 4.25Å; F389-L411 HydrophobicContact CE1-CD2 3.55Å; F389-L411 HydrophobicContact CE1-CG 4.32Å; F389-L411 HydrophobicContact CE2-CB 4.39Å; F389-L411 HydrophobicContact CE2-CD1 4.24Å; F389-L411 HydrophobicContact CZ-CB 4.34Å; F389-L411 HydrophobicContact CZ-CD1 3.72Å; F389-L411 HydrophobicContact CZ-CD2 3.91Å; F389-L411 HydrophobicContact CZ-CG 4.21Å; F389-L411 PolarHBondContact N-O 2.99Å; F389-L411 PolarHBondContact O-N 3.04Å; F391-L411 HydrophobicContact CE1-CB 4.27Å; L411-V413 HydrophobicContact CD2-CG2 3.92Å |
| 412 | L | 95.6 | Very high | 94.6 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.3 | 178.3 | -59.8 | -179.3 | 0 | 0 | 0 | 109.1 | T319 L320 F321 V322 R410 | T319-L412 HydrophobicContact CG2-CD1 3.71Å; T319-L412 HydrophobicContact CG2-CG 4.19Å; L320-L412 PolarHBondContact O-N 3.24Å; F321-L412 WeakPolarHBondContact CA-O 3.31Å; F321-L412 HydrophobicContact CD1-CB 3.92Å; F321-L412 HydrophobicContact CD1-CD1 4.16Å; F321-L412 HydrophobicContact CE1-CB 4.19Å; F321-L412 HydrophobicContact CE1-CD1 3.55Å; F321-L412 HydrophobicContact CE1-CG 4.43Å; F321-L412 HydrophobicContact CZ-CD1 4.06Å; V322-L412 PolarHBondContact N-O 2.87Å; R410-L412 HydrophobicContact CG-CD2 4.27Å |
| 413 | V | 95.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 137.5 | 172.8 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | V322 E324 L381 Y383 L386 Q387 L411 | V322-V413 HydrophobicContact CG1-CG2 4.4Å; V322-V413 CarbonylContact O-C 3.59Å; V322-V413 VanDerWaalsContact O-CA 3.31Å; V322-V413 WeakPolarHBondContact O-CA 3.31Å; E324-V413 HydrophobicContact CB-CG1 3.77Å; L381-V413 HydrophobicContact CB-CG1 4.43Å; L381-V413 HydrophobicContact CB-CG2 4.28Å; L381-V413 HydrophobicContact CD1-CG2 4.08Å; Y383-V413 HydrophobicContact CD2-CB 4.07Å; Y383-V413 HydrophobicContact CD2-CG1 4.08Å; Y383-V413 WeakPolarHBondContact CD2-O 3.2Å; Y383-V413 WeakPolarHBondContact CE2-O 3.48Å; L386-V413 WeakPolarHBondContact O-CG2 3.43Å; Q387-V413 PolarHBondContact O-N 2.79Å; L411-V413 HydrophobicContact CD2-CG2 3.92Å |
| 414 | L | 94.4 | Very high | 94 | Very high | 73 Ų | 73 | 46 Ų | 46 | 38% | 0.382 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 110.9 | 176.1 | -65.4 | 179.9 | 0 | 0 | 0 | 109.8 | F321 V322 R323 E324 | F321-L414 HydrophobicContact CB-CD1 4.03Å; F321-L414 HydrophobicContact CB-CG 4.34Å; F321-L414 HydrophobicContact CD1-CD2 4.04Å; F321-L414 HydrophobicContact CD1-CG 4.4Å; V322-L414 PolarHBondContact O-N 2.77Å; R323-L414 HydrophobicContact CG-CB 4.03Å; R323-L414 HydrophobicContact CG-CD1 4.36Å; E324-L414 PolarHBondContact N-O 2.91Å |
| 415 | D | 93.9 | Very high | 93.5 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | trans | -35.9 | 129.1 | 161.7 | 174.6 | 3.6 | 0 | 0 | 0 | 113.1 | E324 Y383 S458 N461 | E324-D415 VanDerWaalsContact OE1-CA 3.25Å; E324-D415 WeakPolarHBondContact OE1-CA 3.3Å; Y383-D415 HydrophobicContact CD1-CB 3.97Å; Y383-D415 HydrophobicContact CD2-CB 4.1Å; Y383-D415 HydrophobicContact CE1-CB 4.05Å; Y383-D415 HydrophobicContact CE2-CB 4.16Å; Y383-D415 HydrophobicContact CG-CB 4.01Å; D415-S458 WeakPolarHBondContact OD2-CA 3.27Å; D415-S458 WeakPolarHBondContact OD2-CB 3.42Å; D415-S458 PolarHBondContact OD2-N 3.26Å; D415-S458 VanDerWaalsContact OD2-O 3.07Å; D415-N461 PolarHBondContact OD1-ND2 3.36Å | ||
| 416 | A | 92.4 | Very high | 92.9 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | trans | -132.1 | 148.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E324 D418 N461 | E324-A416 HydrophobicContact CG-CB 4.17Å; E324-A416 PolarHBondContact OE1-N 3.04Å; A416-D418 VanDerWaalsContact C-N 3.34Å; A416-D418 VanDerWaalsContact O-CB 3.27Å; A416-D418 WeakPolarHBondContact O-CB 3.42Å; A416-D418 PolarHBondContact O-N 2.9Å; A416-N461 VanDerWaalsContact C-ND2 3.32Å | ||
| 417 | N | 93.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -68.6 | 88.2 | -172.9 | -154.4 | 75 | 0 | 0 | 0 | 111.3 | D457 N461 D508 G510 P512 R514 | N417-D457 VanDerWaalsContact CA-OD2 3.28Å; N417-D457 WeakPolarHBondContact CA-OD2 3.39Å; N417-D457 PolarHBondContact OD1-OD2 3.16Å; N417-N461 HydrophobicContact CB-CB 4.24Å; N417-N461 PolarHBondContact N-ND2 3.06Å; N417-N461 WeakPolarHBondContact OD1-CA 3.16Å; N417-N461 WeakPolarHBondContact OD1-CB 3.19Å; N417-N461 PolarHBondContact OD1-O 3.16Å; N417-D508 PolarHBondContact ND2-OD1 3.3Å; N417-D508 PolarHBondContact ND2-OD2 2.72Å; N417-G510 WeakPolarHBondContact OD1-CA 3.39Å; N417-P512 PolarHBondContact ND2-O 2.66Å; N417-R514 WeakPolarHBondContact ND2-CG 3.47Å; N417-R514 VanDerWaalsContact O-CZ 3.24Å; N417-R514 PolarHBondContact O-NE 3.11Å; N417-R514 PolarHBondContact O-NH2 3.06Å |
| 418 | D | 91.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | trans | -119.1 | -41.6 | -159.5 | 177 | -91.6 | 0 | 0 | 0 | 112.7 | N325 A416 D457 R514 | N325-D418 VanDerWaalsContact ND2-CG 3.33Å; N325-D418 PolarHBondContact ND2-OD2 2.79Å; A416-D418 VanDerWaalsContact C-N 3.34Å; A416-D418 VanDerWaalsContact O-CB 3.27Å; A416-D418 WeakPolarHBondContact O-CB 3.42Å; A416-D418 PolarHBondContact O-N 2.9Å; D418-D457 PolarHBondContact N-OD2 2.99Å; D418-R514 VanDerWaalsContact CA-NH2 3.31Å; D418-R514 PolarHBondContact O-NH1 3Å; D418-R514 PolarHBondContact O-NH2 3.01Å; D418-R514 VanDerWaalsContact O-NH2 3.11Å | ||
| 419 | N | 91.9 | Very high | 89.7 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -78.1 | -156.2 | 171.9 | -65.8 | -87.7 | 0 | 0 | 0 | 109.8 | E384 D455 D457 R514 | E384-N419 PolarHBondContact OE2-ND2 2.86Å; N419-D455 WeakPolarHBondContact CB-OD1 3.4Å; N419-D457 WeakPolarHBondContact CB-OD1 3.49Å; N419-D457 PolarHBondContact N-OD1 2.91Å; N419-D457 PolarHBondContact ND2-OD1 2.88Å; N419-R514 WeakPolarHBondContact O-CD 3.4Å; N419-R514 PolarHBondContact O-NH1 2.96Å; N419-R514 VanDerWaalsContact O-NH1 3.08Å |
| 420 | S | 92.8 | Very high | 88.1 | Confident | 54 Ų | 54 | 56.1 Ų | 56.1 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | trans | -165.7 | 147.9 | 179.2 | -71.7 | 0 | 0 | 0 | 0 | 110.6 | F422 D455 | S420-F422 PolarHBondContact O-N 3.2Å; S420-D455 VanDerWaalsContact C-OD1 3.27Å; S420-D455 VanDerWaalsContact C-OD2 3.31Å; S420-D455 WeakPolarHBondContact CA-OD1 2.9Å; S420-D455 PolarHBondContact N-OD1 2.88Å | ||
| 421 | P | 94.4 | Very high | 86.4 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | trans | -57.3 | 107.8 | -171.4 | -27.4 | 31.8 | 0 | 0 | 0 | 113.7 | V454 D455 L464 V506 D508 A516 | P421-V454 CarbonylContact C-O 3.57Å; P421-D455 WeakPolarHBondContact CA-OD2 3.27Å; P421-D455 WeakPolarHBondContact CD-OD2 3.43Å; P421-D455 WeakPolarHBondContact CG-OD2 3.39Å; P421-L464 HydrophobicContact CB-CD2 3.74Å; P421-L464 HydrophobicContact CG-CD2 3.63Å; P421-V506 HydrophobicContact CB-CB 4.12Å; P421-V506 HydrophobicContact CB-CG1 3.73Å; P421-V506 HydrophobicContact CG-CG1 4.42Å; P421-D508 HydrophobicContact CG-CB 4.44Å; P421-A516 WeakPolarHBondContact O-CB 3.16Å | ||
| 422 | F | 91.9 | Very high | 84.8 | Confident | 138 Ų | 138 | 61.6 Ų | 61.6 | 61% | 0.605 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.3 | 179.4 | -172.5 | -100.5 | 0 | 0 | 0 | 111.4 | S420 L424 A453 V454 | S420-F422 PolarHBondContact O-N 3.2Å; F422-L424 HydrophobicContact CD1-CD2 3.83Å; F422-L424 HydrophobicContact CD1-CG 4.48Å; F422-L424 HydrophobicContact CE1-CD2 3.94Å; F422-L424 PolarHBondContact O-N 2.92Å; F422-A453 CarbonylContact O-C 3.59Å; F422-A453 WeakPolarHBondContact O-CA 3.18Å; F422-A453 WeakPolarHBondContact O-CB 3.3Å; F422-V454 HydrophobicContact CB-CG2 4.37Å; F422-V454 PolarHBondContact N-O 2.83Å; F422-V454 PolarHBondContact O-N 3.39Å |
| 423 | V | 91.1 | Very high | 83.4 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 9% | 0.085 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 103.4 | 179.8 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | Q428 V451 A453 V506 A516 A518 | V423-Q428 HydrophobicContact CG1-CG 4.43Å; V423-V451 HydrophobicContact CG1-CG1 4.23Å; V423-A453 HydrophobicContact CG2-CB 4.37Å; V423-V506 HydrophobicContact CG2-CG2 4.14Å; V423-A516 HydrophobicContact CG2-CB 4.39Å; V423-A518 HydrophobicContact CG1-CB 3.97Å; V423-A518 HydrophobicContact CG2-CB 4.24Å |
| 424 | L | 88.8 | Confident | 82.1 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -38.8 | 172.5 | -64.6 | 177.8 | 0 | 0 | 0 | 112.2 | F422 V452 V454 | F422-L424 HydrophobicContact CD1-CD2 3.83Å; F422-L424 HydrophobicContact CD1-CG 4.48Å; F422-L424 HydrophobicContact CE1-CD2 3.94Å; F422-L424 PolarHBondContact O-N 2.92Å; L424-V452 HydrophobicContact CD1-CG1 4.48Å; L424-V452 PolarHBondContact N-O 3.34Å; L424-V454 HydrophobicContact CD1-CG1 3.66Å; L424-V454 HydrophobicContact CD1-CG2 4.12Å; L424-V454 HydrophobicContact CD2-CG2 4.32Å; L424-V454 HydrophobicContact CG-CG1 4.42Å; L424-V454 HydrophobicContact CG-CG2 4.09Å |
| 425 | Y | 86.4 | Confident | 81.5 | Confident | 106 Ų | 106 | 64.9 Ų | 64.9 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 138.6 | -177.4 | -172.6 | -88.3 | 0 | 0 | 0 | 113.1 | E436 K450 V451 V452 | Y425-E436 PolarHBondContact OH-OE1 3.01Å; Y425-K450 WeakPolarHBondContact CD1-O 3.23Å; Y425-V451 WeakPolarHBondContact O-CA 3.5Å; Y425-V452 PolarHBondContact N-O 2.74Å; Y425-V452 PolarHBondContact O-N 3.41Å |
| 426 | P | 84.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | S | Bend | cis | -74.8 | 153.7 | -7.1 | 29.2 | -33 | 0 | 0 | 0 | 112.7 | Q428 C434 L520 | P426-Q428 PolarHBondContact O-N 2.72Å; P426-Q428 VanDerWaalsContact O-N 3.12Å; P426-Q428 PolarHBondContact O-NE2 3.05Å; P426-C434 HydrophobicContact CB-CB 3.61Å; P426-C434 HydrophobicContact CG-CB 4.41Å; P426-L520 HydrophobicContact CG-CD2 3.28Å |
| 427 | L | 80.7 | Confident | 80.8 | Confident | 105 Ų | 105 | 66.9 Ų | 66.9 | 55% | 0.55 | 38% | 0.381 | S | S | . | . | trans | -63.2 | 109.7 | -173.4 | -176.5 | 69.7 | 0 | 0 | 0 | 111.9 | N429 | L427-N429 PolarHBondContact O-N 2.74Š| ||
| 428 | Q | 74.9 | Confident | 80.6 | Confident | 70 Ų | 70 | 66.2 Ų | 66.2 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -29.2 | -175 | -62 | -58.4 | -67 | 0 | 0 | 113.8 | V423 P426 T519 | V423-Q428 HydrophobicContact CG1-CG 4.43Å; P426-Q428 PolarHBondContact O-N 2.72Å; P426-Q428 VanDerWaalsContact O-N 3.12Å; P426-Q428 PolarHBondContact O-NE2 3.05Å; Q428-T519 PolarHBondContact NE2-O 2.89Å |
| 429 | N | 65.3 | Low | 80.3 | Confident | 159 Ų | 159 | 64.4 Ų | 64.4 | 85% | 0.85 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 20.6 | -176.3 | -66.6 | -12.4 | 0 | 0 | 0 | 113.5 | L427 | L427-N429 PolarHBondContact O-N 2.74Š|
| 430 | G | 61.8 | Low | 79.9 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | trans | -71 | 146 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A432 | G430-A432 PolarHBondContact O-N 2.86Š| ||
| 431 | S | 59.7 | Low | 79.4 | Confident | 142 Ų | 142 | 66 Ų | 66 | 99% | 0.993 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -67.6 | -10.5 | 176.2 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 432 | A | 61.3 | Low | 79 | Confident | 68 Ų | 68 | 66.1 Ų | 66.1 | 56% | 0.562 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -129.1 | 137.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | G430 C434 | G430-A432 PolarHBondContact O-N 2.86Å; A432-C434 PolarHBondContact O-N 2.92Å |
| 433 | P | 64.9 | Low | 78.8 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | trans | -69.3 | 124.6 | 178.1 | 27.2 | -33.2 | 0 | 0 | 0 | 110.8 | T435 | P433-T435 PolarHBondContact O-N 3.18Å; P433-T435 PolarHBondContact O-OG1 3.06Å | ||
| 434 | C | 68.6 | Low | 78.6 | Confident | 46 Ų | 46 | 69.7 Ų | 69.7 | 31% | 0.311 | 41% | 0.407 | S | S | . | . | trans | -52.4 | 115.1 | 173.5 | -63.4 | 0 | 0 | 0 | 0 | 110 | P426 A432 H521 | P426-C434 HydrophobicContact CB-CB 3.61Å; P426-C434 HydrophobicContact CG-CB 4.41Å; A432-C434 PolarHBondContact O-N 2.92Å; C434-H521 PolarHBondContact O-N 2.86Å | ||
| 435 | T | 80.6 | Confident | 78.6 | Confident | 55 Ų | 55 | 67 Ų | 67 | 34% | 0.337 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 104.9 | -174 | -60.5 | 0 | 0 | 0 | 0 | 108.6 | P433 H521 L523 | P433-T435 PolarHBondContact O-N 3.18Å; P433-T435 PolarHBondContact O-OG1 3.06Å; T435-H521 CarbonylContact C-O 3.59Å; T435-H521 WeakPolarHBondContact CA-O 3.47Å; T435-H521 HydrophobicContact CG2-CB 4.3Å; T435-L523 HydrophobicContact CG2-CB 3.91Å |
| 436 | E | 86.4 | Confident | 78.7 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 135.7 | -178.9 | -55.4 | -70.2 | -161 | 0 | 0 | 110.2 | Y425 V448 T449 H521 V522 L523 | Y425-E436 PolarHBondContact OH-OE1 3.01Å; E436-V448 HydrophobicContact CB-CG1 4.09Å; E436-T449 HydrophobicContact CG-CG2 4.05Å; E436-T449 WeakPolarHBondContact OE1-CB 3.2Å; E436-T449 PolarHBondContact OE1-OG1 3.08Å; E436-H521 PolarHBondContact N-O 3.2Å; E436-V522 CarbonylContact O-C 3.54Å; E436-V522 WeakPolarHBondContact O-CA 3.39Å; E436-L523 PolarHBondContact O-N 2.99Å |
| 437 | L | 87.1 | Confident | 79.1 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.8 | 179.8 | -57.9 | -175.7 | 0 | 0 | 0 | 109.8 | L523 V525 F528 | L437-L523 HydrophobicContact CD2-CB 3.98Å; L437-L523 HydrophobicContact CD2-CD2 3.93Å; L437-L523 HydrophobicContact CD2-CG 4.48Å; L437-V525 HydrophobicContact CD2-CG1 4.21Å; L437-F528 HydrophobicContact CB-CE1 3.62Å; L437-F528 HydrophobicContact CB-CZ 3.97Å; L437-F528 HydrophobicContact CD1-CE1 4.11Å |
| 438 | V | 87.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.1 | 178.8 | 176.3 | 0 | 0 | 0 | 0 | 109 | A442 Y446 V448 T488 L492 V522 L523 L524 V525 | V438-A442 HydrophobicContact CG1-CB 4.02Å; V438-Y446 HydrophobicContact CG1-CD1 4.3Å; V438-Y446 HydrophobicContact CG1-CE1 4.24Å; V438-Y446 HydrophobicContact CG2-CE1 4.41Å; V438-V448 HydrophobicContact CG2-CB 4.1Å; V438-V448 HydrophobicContact CG2-CG1 3.57Å; V438-V448 HydrophobicContact CG2-CG2 3.77Å; V438-T488 HydrophobicContact CG1-CG2 4.46Å; V438-L492 HydrophobicContact CG1-CD1 3.92Å; V438-V522 HydrophobicContact CB-CG1 4.09Å; V438-V522 HydrophobicContact CG2-CG1 3.5Å; V438-L523 PolarHBondContact N-O 2.87Å; V438-L524 HydrophobicContact CB-CD2 4.19Å; V438-L524 HydrophobicContact CG1-CD2 4.29Å; V438-L524 WeakPolarHBondContact O-CA 3.19Å; V438-V525 PolarHBondContact O-N 3.08Å |
| 439 | P | 86.6 | Confident | 80.3 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 10% | 0.104 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 139.3 | 178.1 | 29.8 | -31.6 | 0 | 0 | 0 | 109.8 | A441 A442 Y446 L492 V525 F528 | P439-A441 PolarHBondContact O-N 3.11Å; P439-A441 VanDerWaalsContact O-N 3.1Å; P439-A442 HydrophobicContact CG-CB 4.23Å; P439-A442 WeakPolarHBondContact O-CB 3.22Å; P439-A442 PolarHBondContact O-N 2.75Å; P439-Y446 HydrophobicContact CG-CE2 4.39Å; P439-L492 WeakPolarHBondContact O-CD1 3.08Å; P439-V525 CarbonylContact C-O 3.55Å; P439-V525 WeakPolarHBondContact CA-O 3.13Å; P439-F528 HydrophobicContact CB-CD2 4.24Å; P439-F528 HydrophobicContact CB-CE2 4.17Å; P439-F528 HydrophobicContact CG-CD2 4.28Å; P439-F528 HydrophobicContact CG-CE2 3.85Å |
| 440 | R | 83.4 | Confident | 81.5 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 21% | 0.211 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22 | 175.6 | -70.9 | -156.6 | -162 | -105 | -2.3 | 114.1 | A442 S493 D496 L524 V525 D526 | R440-A442 PolarHBondContact O-N 2.8Å; R440-S493 PolarHBondContact NH1-O 2.71Å; R440-D496 PolarHBondContact NH1-O 2.9Å; R440-D496 VanDerWaalsContact NH1-O 3.16Å; R440-L524 HydrophobicContact CG-CB 4.19Å; R440-V525 PolarHBondContact N-O 2.65Å; R440-D526 WeakPolarHBondContact CD-OD1 3.24Å; R440-D526 WeakPolarHBondContact CG-OD1 3.17Å; R440-D526 IonicContact CZ-OD1 3.87Å; R440-D526 IonicContact NE-OD1 2.76Å; R440-D526 PolarHBondContact NE-OD1 3.25Å |
| 441 | A | 82.4 | Confident | 82.9 | Confident | 90 Ų | 90 | 58.1 Ų | 58.1 | 74% | 0.744 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 5.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P439 E443 | P439-A441 PolarHBondContact O-N 3.11Å; P439-A441 VanDerWaalsContact O-N 3.1Å; A441-E443 PolarHBondContact O-N 2.78Å |
| 442 | A | 85.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -65 | 122.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V438 P439 R440 Y446 T488 L492 | V438-A442 HydrophobicContact CG1-CB 4.02Å; P439-A442 HydrophobicContact CG-CB 4.23Å; P439-A442 WeakPolarHBondContact O-CB 3.22Å; P439-A442 PolarHBondContact O-N 2.75Å; R440-A442 PolarHBondContact O-N 2.8Å; A442-Y446 HydrophobicContact CB-CD1 3.96Å; A442-Y446 HydrophobicContact CB-CD2 4Å; A442-Y446 HydrophobicContact CB-CG 3.66Å; A442-T488 HydrophobicContact CB-CG2 4.4Å; A442-L492 HydrophobicContact CB-CD1 4.04Å |
| 443 | E | 87.8 | Confident | 86 | Confident | 148 Ų | 148 | 51.2 Ų | 51.2 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 160.9 | 173.2 | -62.7 | -173 | 159 | 0 | 0 | 111.8 | A441 G445 Y446 T488 | A441-E443 PolarHBondContact O-N 2.78Å; E443-G445 PolarHBondContact O-N 2.93Å; E443-Y446 VanDerWaalsContact O-CB 3.32Å; E443-Y446 WeakPolarHBondContact O-CB 3.08Å; E443-Y446 PolarHBondContact O-N 3.5Å; E443-T488 PolarHBondContact O-OG1 3Å |
| 444 | P | 87.1 | Confident | 87.3 | Confident | 79 Ų | 79 | 50.5 Ų | 50.5 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 131.5 | 168.6 | -19.7 | 31.8 | 0 | 0 | 0 | 111.1 | ||
| 445 | G | 87.6 | Confident | 88.6 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 2.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E443 R487 T488 | E443-G445 PolarHBondContact O-N 2.93Å; G445-R487 WeakPolarHBondContact O-CD 3.48Å; G445-R487 PolarHBondContact O-NH1 2.93Å; G445-T488 WeakPolarHBondContact CA-O 3.49Å; G445-T488 PolarHBondContact N-O 3.47Å; G445-T488 PolarHBondContact N-OG1 3.39Å; G445-T488 VanDerWaalsContact N-OG1 3.08Å |
| 446 | Y | 90 | Very high | 89.1 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | trans | -59 | 132.7 | 169.9 | 178.4 | -89.7 | 0 | 0 | 0 | 111 | V438 P439 A442 E443 V448 R487 T488 | V438-Y446 HydrophobicContact CG1-CD1 4.3Å; V438-Y446 HydrophobicContact CG1-CE1 4.24Å; V438-Y446 HydrophobicContact CG2-CE1 4.41Å; P439-Y446 HydrophobicContact CG-CE2 4.39Å; A442-Y446 HydrophobicContact CB-CD1 3.96Å; A442-Y446 HydrophobicContact CB-CD2 4Å; A442-Y446 HydrophobicContact CB-CG 3.66Å; E443-Y446 VanDerWaalsContact O-CB 3.32Å; E443-Y446 WeakPolarHBondContact O-CB 3.08Å; E443-Y446 PolarHBondContact O-N 3.5Å; Y446-V448 HydrophobicContact CD1-CG2 4.38Å; Y446-V448 PolarHBondContact O-N 3.12Å; Y446-R487 CarbonylContact O-C 3.52Å; Y446-R487 WeakPolarHBondContact O-CA 3.31Å; Y446-R487 WeakPolarHBondContact O-CB 3.4Å; Y446-T488 WeakPolarHBondContact CB-OG1 3.38Å; Y446-T488 PolarHBondContact N-OG1 2.86Å; Y446-T488 PolarHBondContact O-N 2.95Å | ||
| 447 | L | 91.4 | Very high | 89.5 | Confident | 79 Ų | 79 | 47.3 Ų | 47.3 | 41% | 0.414 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 113.4 | 178.1 | -177.7 | 65.2 | 0 | 0 | 0 | 110.2 | T449 E485 R487 | L447-T449 WeakPolarHBondContact CD1-O 3.13Å; L447-E485 HydrophobicContact CD1-CB 3.87Å; L447-E485 HydrophobicContact CD1-CG 3.88Å; L447-R487 HydrophobicContact CD1-CG 4.15Å |
| 448 | V | 90.1 | Very high | 89.8 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -51.4 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | E436 V438 Y446 F477 V486 T488 V522 | E436-V448 HydrophobicContact CB-CG1 4.09Å; V438-V448 HydrophobicContact CG2-CB 4.1Å; V438-V448 HydrophobicContact CG2-CG1 3.57Å; V438-V448 HydrophobicContact CG2-CG2 3.77Å; Y446-V448 HydrophobicContact CD1-CG2 4.38Å; Y446-V448 PolarHBondContact O-N 3.12Å; V448-F477 HydrophobicContact CG2-CD1 3.99Å; V448-F477 HydrophobicContact CG2-CE1 3.89Å; V448-V486 WeakPolarHBondContact CB-O 3.07Å; V448-V486 PolarHBondContact N-O 2.84Å; V448-T488 HydrophobicContact CG2-CG2 4.33Å; V448-V522 HydrophobicContact CG1-CG1 4.14Å; V448-V522 HydrophobicContact CG1-CG2 3.91Å |
| 449 | T | 90.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 178.7 | -179.4 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | E436 L447 V486 L520 | E436-T449 HydrophobicContact CG-CG2 4.05Å; E436-T449 WeakPolarHBondContact OE1-CB 3.2Å; E436-T449 PolarHBondContact OE1-OG1 3.08Å; L447-T449 WeakPolarHBondContact CD1-O 3.13Å; T449-V486 HydrophobicContact CG2-CB 3.89Å; T449-V486 HydrophobicContact CG2-CG2 3.79Å; T449-V486 PolarHBondContact N-O 3.43Å; T449-V486 PolarHBondContact O-N 3.1Å; T449-L520 HydrophobicContact CG2-CD1 4.05Å |
| 450 | K | 91.2 | Very high | 90.2 | Very high | 97 Ų | 97 | 51.9 Ų | 51.9 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 118.2 | 174.4 | -174.3 | -175.5 | -176.3 | -174.7 | 0 | 109.3 | Y425 V452 N483 E485 | Y425-K450 WeakPolarHBondContact CD1-O 3.23Å; K450-V452 HydrophobicContact CD-CG2 4.37Å; K450-V452 HydrophobicContact CG-CG2 4.32Å; K450-V452 PolarHBondContact O-N 3.26Å; K450-N483 WeakPolarHBondContact CE-O 3.41Å; K450-E485 HydrophobicContact CB-CG 4.48Å; K450-E485 HydrophobicContact CD-CG 4.32Å; K450-E485 HydrophobicContact CG-CG 4.09Å |
| 451 | V | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -69.9 | 127 | 169.9 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | V423 Y425 Y466 G484 V486 V504 V506 A518 L520 | V423-V451 HydrophobicContact CG1-CG1 4.23Å; Y425-V451 WeakPolarHBondContact O-CA 3.5Å; V451-Y466 HydrophobicContact CB-CD1 4.17Å; V451-Y466 HydrophobicContact CB-CE1 4.1Å; V451-Y466 HydrophobicContact CG1-CD1 4.27Å; V451-Y466 HydrophobicContact CG1-CE1 4.02Å; V451-G484 PolarHBondContact N-O 2.88Å; V451-V486 HydrophobicContact CG2-CG2 4.01Å; V451-V504 HydrophobicContact CG2-CB 4.16Å; V451-V504 HydrophobicContact CG2-CG1 4.16Å; V451-V504 HydrophobicContact CG2-CG2 4.05Å; V451-V506 HydrophobicContact CG1-CG2 3.94Å; V451-A518 HydrophobicContact CG1-CB 3.94Å; V451-L520 HydrophobicContact CG2-CD1 4.15Å; V451-L520 HydrophobicContact CG2-CD2 4.19Å | ||
| 452 | V | 91.9 | Very high | 91.1 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 33% | 0.327 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.7 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | L424 Y425 K450 | L424-V452 HydrophobicContact CD1-CG1 4.48Å; L424-V452 PolarHBondContact N-O 3.34Å; Y425-V452 PolarHBondContact N-O 2.74Å; Y425-V452 PolarHBondContact O-N 3.41Å; K450-V452 HydrophobicContact CD-CG2 4.37Å; K450-V452 HydrophobicContact CG-CG2 4.32Å; K450-V452 PolarHBondContact O-N 3.26Å |
| 453 | A | 92.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 162.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F422 V423 L464 Y466 V506 | F422-A453 CarbonylContact O-C 3.59Å; F422-A453 WeakPolarHBondContact O-CA 3.18Å; F422-A453 WeakPolarHBondContact O-CB 3.3Å; V423-A453 HydrophobicContact CG2-CB 4.37Å; A453-L464 VanDerWaalsContact C-CD1 3.49Å; A453-L464 HydrophobicContact CB-CD1 3.76Å; A453-L464 WeakPolarHBondContact O-CD1 3.33Å; A453-Y466 PolarHBondContact N-OH 2.82Å; A453-V506 HydrophobicContact CB-CB 4.44Å; A453-V506 HydrophobicContact CB-CG1 3.82Å; A453-V506 HydrophobicContact CB-CG2 4.21Å |
| 454 | V | 93.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159.9 | 173.1 | -67.6 | 0 | 0 | 0 | 0 | 108.6 | P421 F422 L424 | P421-V454 CarbonylContact C-O 3.57Å; F422-V454 HydrophobicContact CB-CG2 4.37Å; F422-V454 PolarHBondContact N-O 2.83Å; F422-V454 PolarHBondContact O-N 3.39Å; L424-V454 HydrophobicContact CD1-CG1 3.66Å; L424-V454 HydrophobicContact CD1-CG2 4.12Å; L424-V454 HydrophobicContact CD2-CG2 4.32Å; L424-V454 HydrophobicContact CG-CG1 4.42Å; L424-V454 HydrophobicContact CG-CG2 4.09Å |
| 455 | D | 94.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | trans | -118.9 | 165.8 | 165.3 | -130 | -52.5 | 0 | 0 | 0 | 111.1 | N419 S420 P421 A462 L464 | N419-D455 WeakPolarHBondContact CB-OD1 3.4Å; S420-D455 VanDerWaalsContact C-OD1 3.27Å; S420-D455 VanDerWaalsContact C-OD2 3.31Å; S420-D455 WeakPolarHBondContact CA-OD1 2.9Å; S420-D455 PolarHBondContact N-OD1 2.88Å; P421-D455 WeakPolarHBondContact CA-OD2 3.27Å; P421-D455 WeakPolarHBondContact CD-OD2 3.43Å; P421-D455 WeakPolarHBondContact CG-OD2 3.39Å; D455-A462 HydrophobicContact CB-CB 3.95Å; D455-L464 HydrophobicContact CB-CD2 4.23Å | ||
| 456 | G | 91.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 47 Ų | 47 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -82.4 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E384 | E384-G456 WeakPolarHBondContact CG-O 3.49Š|
| 457 | D | 94.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -63.6 | -166.3 | -174.1 | -52.7 | -11.5 | 0 | 0 | 0 | 113.2 | N417 D418 N419 N461 A462 | N417-D457 VanDerWaalsContact CA-OD2 3.28Å; N417-D457 WeakPolarHBondContact CA-OD2 3.39Å; N417-D457 PolarHBondContact OD1-OD2 3.16Å; D418-D457 PolarHBondContact N-OD2 2.99Å; N419-D457 WeakPolarHBondContact CB-OD1 3.49Å; N419-D457 PolarHBondContact N-OD1 2.91Å; N419-D457 PolarHBondContact ND2-OD1 2.88Å; D457-N461 HydrophobicContact CB-CB 3.44Å; D457-N461 VanDerWaalsContact CB-CB 3.44Å; D457-A462 VanDerWaalsContact O-CB 3.3Å; D457-A462 WeakPolarHBondContact O-CB 3.42Å |
| 458 | S | 92.6 | Very high | 92.8 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | trans | -135.3 | 176.8 | 179.4 | -85.9 | 0 | 0 | 0 | 0 | 114.8 | D415 Q460 N461 A462 | D415-S458 WeakPolarHBondContact OD2-CA 3.27Å; D415-S458 WeakPolarHBondContact OD2-CB 3.42Å; D415-S458 PolarHBondContact OD2-N 3.26Å; D415-S458 VanDerWaalsContact OD2-O 3.07Å; S458-Q460 PolarHBondContact O-N 3.03Å; S458-N461 WeakPolarHBondContact O-CA 3.25Å; S458-N461 WeakPolarHBondContact O-CB 3.47Å; S458-N461 PolarHBondContact O-N 2.87Å; S458-A462 PolarHBondContact O-N 2.78Å; S458-A462 VanDerWaalsContact O-N 3.11Å | ||
| 459 | G | 91.7 | Very high | 92.8 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 62% | 0.619 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | -103.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 460 | Q | 91.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 57.7 Ų | 57.7 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -27.8 | 176.1 | -67.2 | -59.6 | -75.2 | 0 | 0 | 112.9 | S458 A462 W463 N509 | S458-Q460 PolarHBondContact O-N 3.03Å; Q460-A462 VanDerWaalsContact C-N 3.3Å; Q460-A462 PolarHBondContact O-N 3.33Å; Q460-W463 WeakPolarHBondContact O-CB 3.42Å; Q460-W463 PolarHBondContact O-N 2.72Å; Q460-N509 CarbonylContact O-C 3.51Å; Q460-N509 PolarHBondContact O-N 3.43Å; Q460-N509 PolarHBondContact OE1-ND2 3.49Å |
| 461 | N | 92 | Very high | 92.7 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -33.4 | 178.7 | -61.6 | -9.4 | 0 | 0 | 0 | 110.3 | D415 A416 N417 D457 S458 D508 G510 | D415-N461 PolarHBondContact OD1-ND2 3.36Å; A416-N461 VanDerWaalsContact C-ND2 3.32Å; N417-N461 HydrophobicContact CB-CB 4.24Å; N417-N461 PolarHBondContact N-ND2 3.06Å; N417-N461 WeakPolarHBondContact OD1-CA 3.16Å; N417-N461 WeakPolarHBondContact OD1-CB 3.19Å; N417-N461 PolarHBondContact OD1-O 3.16Å; D457-N461 HydrophobicContact CB-CB 3.44Å; D457-N461 VanDerWaalsContact CB-CB 3.44Å; S458-N461 WeakPolarHBondContact O-CA 3.25Å; S458-N461 WeakPolarHBondContact O-CB 3.47Å; S458-N461 PolarHBondContact O-N 2.87Å; N461-D508 WeakPolarHBondContact O-CB 3.32Å; N461-G510 WeakPolarHBondContact OD1-CA 3.39Å |
| 462 | A | 93.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 57 Ų | 57 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D455 D457 S458 Q460 L464 | D455-A462 HydrophobicContact CB-CB 3.95Å; D457-A462 VanDerWaalsContact O-CB 3.3Å; D457-A462 WeakPolarHBondContact O-CB 3.42Å; S458-A462 PolarHBondContact O-N 2.78Å; S458-A462 VanDerWaalsContact O-N 3.11Å; Q460-A462 VanDerWaalsContact C-N 3.3Å; Q460-A462 PolarHBondContact O-N 3.33Å; A462-L464 PolarHBondContact O-N 2.87Å |
| 463 | W | 93.9 | Very high | 92.2 | Very high | 161 Ų | 161 | 57.5 Ų | 57.5 | 61% | 0.61 | 32% | 0.318 | S | S | * | . | trans | -82.2 | 88.4 | -177.3 | -170.1 | -81.7 | 0 | 0 | 0 | 111.9 | Q460 D508 N509 | Q460-W463 WeakPolarHBondContact O-CB 3.42Å; Q460-W463 PolarHBondContact O-N 2.72Å; W463-D508 CarbonylContact O-C 3.58Å; W463-N509 HydrophobicContact CB-CB 4.05Å; W463-N509 PolarHBondContact O-N 2.9Å | ||
| 464 | L | 94.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 64.1 Ų | 64.1 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | trans | -72.8 | 129.4 | -174 | -58.8 | -172.9 | 0 | 0 | 0 | 114.3 | P421 A453 D455 A462 Y466 V506 | P421-L464 HydrophobicContact CB-CD2 3.74Å; P421-L464 HydrophobicContact CG-CD2 3.63Å; A453-L464 VanDerWaalsContact C-CD1 3.49Å; A453-L464 HydrophobicContact CB-CD1 3.76Å; A453-L464 WeakPolarHBondContact O-CD1 3.33Å; D455-L464 HydrophobicContact CB-CD2 4.23Å; A462-L464 PolarHBondContact O-N 2.87Å; L464-Y466 HydrophobicContact CB-CE2 4.11Å; L464-V506 HydrophobicContact CB-CG1 4.26Å; L464-V506 HydrophobicContact CD1-CG1 4.18Å; L464-V506 HydrophobicContact CD2-CG1 4.21Å; L464-V506 HydrophobicContact CG-CG1 4.46Å | ||
| 465 | S | 94.6 | Very high | 91.3 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149 | 171.4 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | A481 V506 K507 | S465-A481 WeakPolarHBondContact CA-O 3.42Å; S465-V506 WeakPolarHBondContact O-CA 3.39Å; S465-K507 WeakPolarHBondContact CA-O 3.34Å; S465-K507 PolarHBondContact N-O 3.06Å; S465-K507 PolarHBondContact O-N 2.86Å; S465-K507 PolarHBondContact OG-O 3.2Å |
| 466 | Y | 94.6 | Very high | 91 | Very high | 22 Ų | 22 | 62 Ų | 62 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129 | -172.1 | -61.9 | -101.5 | 0 | 0 | 0 | 111.5 | V451 A453 L464 A481 G484 V506 | V451-Y466 HydrophobicContact CB-CD1 4.17Å; V451-Y466 HydrophobicContact CB-CE1 4.1Å; V451-Y466 HydrophobicContact CG1-CD1 4.27Å; V451-Y466 HydrophobicContact CG1-CE1 4.02Å; A453-Y466 PolarHBondContact N-OH 2.82Å; L464-Y466 HydrophobicContact CB-CE2 4.11Å; Y466-A481 PolarHBondContact N-O 2.97Å; Y466-A481 VanDerWaalsContact O-CA 3.28Å; Y466-A481 WeakPolarHBondContact O-CA 3.36Å; Y466-G484 VanDerWaalsContact CD1-CA 3.42Å; Y466-V506 HydrophobicContact CD1-CG1 4.35Å; Y466-V506 HydrophobicContact CD1-CG2 3.81Å; Y466-V506 HydrophobicContact CE1-CG1 4.03Å; Y466-V506 HydrophobicContact CE1-CG2 3.78Å |
| 467 | Q | 93.9 | Very high | 91 | Very high | 122 Ų | 122 | 60.6 Ų | 60.6 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 135.8 | -178.8 | -172.9 | 178.7 | 7.4 | 0 | 0 | 112 | L469 V504 L505 | Q467-L469 PolarHBondContact O-N 2.96Å; Q467-L469 VanDerWaalsContact O-N 3.16Å; Q467-V504 CarbonylContact O-C 3.49Å; Q467-V504 WeakPolarHBondContact O-CA 3.43Å; Q467-L505 HydrophobicContact CB-CB 4.47Å; Q467-L505 PolarHBondContact N-O 3.06Å; Q467-L505 PolarHBondContact O-N 2.76Å |
| 468 | L | 92.5 | Very high | 90.9 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 102 | 170.3 | -173.8 | 58.4 | 0 | 0 | 0 | 109.9 | A471 F477 V479 L502 V504 | L468-A471 HydrophobicContact CD2-CB 4.27Å; L468-F477 WeakPolarHBondContact CD2-O 3.38Å; L468-V479 HydrophobicContact CB-CB 4.35Å; L468-V479 HydrophobicContact CB-CG2 3.84Å; L468-V479 HydrophobicContact CD1-CG2 4.19Å; L468-V479 HydrophobicContact CG-CG2 4.45Å; L468-L502 HydrophobicContact CD1-CB 4.03Å; L468-L502 HydrophobicContact CD1-CD2 4.43Å; L468-V504 HydrophobicContact CD1-CG2 4.43Å |
| 469 | L | 90.8 | Very high | 90.9 | Very high | 100 Ų | 100 | 61.2 Ų | 61.2 | 52% | 0.524 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -32 | -176 | 179.8 | 143.2 | 0 | 0 | 0 | 112.6 | Q467 V503 L505 | Q467-L469 PolarHBondContact O-N 2.96Å; Q467-L469 VanDerWaalsContact O-N 3.16Å; L469-V503 HydrophobicContact CD2-CG1 4.32Å; L469-V503 PolarHBondContact N-O 3.19Å; L469-L505 HydrophobicContact CB-CB 4.11Å; L469-L505 HydrophobicContact CD1-CB 4.16Å; L469-L505 HydrophobicContact CD1-CD1 4.26Å; L469-L505 HydrophobicContact CD1-CD2 4.17Å; L469-L505 HydrophobicContact CD1-CG 4.45Å |
| 470 | K | 90.4 | Very high | 91 | Very high | 144 Ų | 144 | 64.7 Ų | 64.7 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 144 | 172.6 | -167 | 166.5 | -175.7 | 167.8 | 0 | 111.5 | L502 V503 | K470-L502 CarbonylContact O-C 3.54Å; K470-L502 WeakPolarHBondContact O-CA 3.35Å; K470-V503 HydrophobicContact CB-CB 4.09Å; K470-V503 HydrophobicContact CB-CG2 4.26Å; K470-V503 PolarHBondContact N-O 3.32Å; K470-V503 VanDerWaalsContact N-O 3.16Å; K470-V503 PolarHBondContact O-N 2.86Å |
| 471 | A | 89.9 | Confident | 90.9 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 157.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L468 E473 R501 L502 | L468-A471 HydrophobicContact CD2-CB 4.27Å; A471-E473 WeakPolarHBondContact CB-O 3.05Å; A471-R501 CarbonylContact C-O 3.55Å; A471-R501 WeakPolarHBondContact CA-O 3.5Å; A471-L502 HydrophobicContact CB-CD2 3.61Å |
| 472 | T | 88.1 | Confident | 90.8 | Very high | 67 Ų | 67 | 68.1 Ų | 68.1 | 41% | 0.411 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -66.4 | -42.7 | 167.7 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | R501 | T472-R501 PolarHBondContact N-O 3Å; T472-R501 PolarHBondContact OG1-N 3.34Å; T472-R501 PolarHBondContact OG1-O 3.31Å |
| 473 | E | 85.4 | Confident | 90.7 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -118.3 | 121 | 174.4 | -67.3 | -59.6 | 158.9 | 0 | 0 | 109.2 | A471 L476 | A471-E473 WeakPolarHBondContact CB-O 3.05Å; E473-L476 HydrophobicContact CB-CB 3.81Å; E473-L476 HydrophobicContact CB-CD2 3.97Å; E473-L476 HydrophobicContact CG-CD2 4.24Å |
| 474 | L | 81.7 | Confident | 90.5 | Very high | 149 Ų | 149 | 60.5 Ų | 60.5 | 78% | 0.78 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 134.9 | 179.4 | -66.3 | 176 | 0 | 0 | 0 | 110.4 | L476 | L474-L476 PolarHBondContact O-N 3.38Š|
| 475 | G | 84.7 | Confident | 90.5 | Very high | 52 Ų | 52 | 61 Ų | 61 | 54% | 0.536 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 6.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | A489 | G475-A489 WeakPolarHBondContact O-CB 3.38Š|
| 476 | L | 89.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -35.5 | 170.1 | 178.7 | 56.2 | 0 | 0 | 0 | 112.3 | E473 L474 A489 R490 L492 D496 H500 | E473-L476 HydrophobicContact CB-CB 3.81Å; E473-L476 HydrophobicContact CB-CD2 3.97Å; E473-L476 HydrophobicContact CG-CD2 4.24Å; L474-L476 PolarHBondContact O-N 3.38Å; L476-A489 PolarHBondContact O-N 3.5Å; L476-R490 HydrophobicContact CD1-CG 3.85Å; L476-L492 HydrophobicContact CD1-CD2 3.72Å; L476-L492 HydrophobicContact CD1-CG 4.38Å; L476-L492 HydrophobicContact CD2-CD2 3.98Å; L476-L492 HydrophobicContact CG-CD2 4.28Å; L476-D496 HydrophobicContact CD2-CB 4.17Å; L476-H500 VanDerWaalsContact CD2-CE1 3.43Å; L476-H500 WeakPolarHBondContact CD2-CE1 2.85Å; L476-H500 WeakPolarHBondContact CD2-NE2 3.42Å |
| 477 | F | 91.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 2% | 0.022 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.2 | 176.1 | -59.1 | -84.9 | 0 | 0 | 0 | 110.4 | V448 L468 R487 T488 H500 L502 V522 | V448-F477 HydrophobicContact CG2-CD1 3.99Å; V448-F477 HydrophobicContact CG2-CE1 3.89Å; L468-F477 WeakPolarHBondContact CD2-O 3.38Å; F477-R487 CarbonylContact C-O 3.54Å; F477-R487 WeakPolarHBondContact CA-O 3Å; F477-T488 HydrophobicContact CE1-CG2 4.39Å; F477-H500 HydrophobicContact CE2-CB 4.08Å; F477-H500 AromaticContact CE2-CD2 3.42Å; F477-H500 VanDerWaalsContact CE2-CD2 3.42Å; F477-H500 WeakPolarHBondContact CE2-CD2 3.47Å; F477-H500 AromaticContact CE2-CG 3.68Å; F477-H500 AromaticContact CE2-NE2 3.85Å; F477-H500 AromaticContact CZ-CD2 3.6Å; F477-L502 HydrophobicContact CB-CD1 3.91Å; F477-L502 HydrophobicContact CB-CD2 4.22Å; F477-L502 HydrophobicContact CD1-CD1 4.28Å; F477-L502 HydrophobicContact CD2-CD1 4.16Å; F477-L502 HydrophobicContact CD2-CD2 3.71Å; F477-L502 HydrophobicContact CD2-CG 4.49Å; F477-L502 HydrophobicContact CE2-CD2 4.42Å; F477-L502 HydrophobicContact CG-CD1 3.85Å; F477-L502 HydrophobicContact CG-CD2 4.15Å; F477-V522 HydrophobicContact CE1-CG1 4.14Å; F477-V522 HydrophobicContact CZ-CB 4.45Å; F477-V522 HydrophobicContact CZ-CG1 3.96Å |
| 478 | G | 90.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V486 R487 | G478-V486 WeakPolarHBondContact O-CA 3.43Å; G478-R487 PolarHBondContact N-O 3.5Å; G478-R487 PolarHBondContact O-N 2.85Å |
| 479 | V | 93.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.3 | 173.6 | -180 | 0 | 0 | 0 | 0 | 108.4 | L468 E485 V486 V504 | L468-V479 HydrophobicContact CB-CB 4.35Å; L468-V479 HydrophobicContact CB-CG2 3.84Å; L468-V479 HydrophobicContact CD1-CG2 4.19Å; L468-V479 HydrophobicContact CG-CG2 4.45Å; V479-E485 CarbonylContact C-O 3.54Å; V479-E485 WeakPolarHBondContact CA-O 3.44Å; V479-V486 HydrophobicContact CG2-CG1 4.32Å; V479-V486 HydrophobicContact CG2-CG2 4.23Å; V479-V504 HydrophobicContact CG1-CG1 3.96Å; V479-V504 HydrophobicContact CG2-CG1 4.31Å; V479-V504 HydrophobicContact CG2-CG2 3.85Å |
| 480 | W | 93 | Very high | 90 | Very high | 134 Ų | 134 | 56 Ų | 56 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | trans | -81.8 | 117.7 | 178.7 | -80.6 | 88.1 | 0 | 0 | 0 | 111.4 | H482 N483 G484 E485 | W480-H482 AromaticContact CE3-CE1 3.6Å; W480-H482 PolarHBondContact O-N 2.8Å; W480-N483 WeakPolarHBondContact CB-OD1 3.42Å; W480-N483 PolarHBondContact O-N 2.83Å; W480-G484 PolarHBondContact O-N 2.71Å; W480-E485 HydrophobicContact CB-CB 4.23Å; W480-E485 HydrophobicContact CG-CB 4.46Å; W480-E485 PolarHBondContact N-O 3.17Å | ||
| 481 | A | 90.9 | Very high | 89.8 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.8 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | S465 Y466 | S465-A481 WeakPolarHBondContact CA-O 3.42Å; Y466-A481 PolarHBondContact N-O 2.97Å; Y466-A481 VanDerWaalsContact O-CA 3.28Å; Y466-A481 WeakPolarHBondContact O-CA 3.36Å |
| 482 | H | 89.4 | Confident | 89.6 | Confident | 135 Ų | 135 | 54.6 Ų | 54.6 | 63% | 0.625 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -5.4 | -174.8 | 65.4 | -98.4 | 0 | 0 | 0 | 114.3 | W480 | W480-H482 AromaticContact CE3-CE1 3.6Å; W480-H482 PolarHBondContact O-N 2.8Å |
| 483 | N | 90.2 | Very high | 89.3 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142.4 | -2.3 | -177.3 | 71.8 | 5.1 | 0 | 0 | 0 | 114.6 | K450 W480 E485 | K450-N483 WeakPolarHBondContact CE-O 3.41Å; W480-N483 WeakPolarHBondContact CB-OD1 3.42Å; W480-N483 PolarHBondContact O-N 2.83Å; N483-E485 VanDerWaalsContact ND2-CD 3.33Å; N483-E485 PolarHBondContact ND2-OE1 2.98Å; N483-E485 PolarHBondContact O-N 3.19Å; N483-E485 WeakPolarHBondContact OD1-CB 3.49Å; N483-E485 PolarHBondContact OD1-N 3.11Å |
| 484 | G | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | 72 | 6.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | V451 Y466 W480 V486 | V451-G484 PolarHBondContact N-O 2.88Å; Y466-G484 VanDerWaalsContact CD1-CA 3.42Å; W480-G484 PolarHBondContact O-N 2.71Å; G484-V486 PolarHBondContact O-N 3.43Å | ||
| 485 | E | 94.1 | Very high | 88.9 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 16% | 0.164 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 127.2 | 177.9 | -73.9 | -178.9 | -163.9 | 0 | 0 | 111.7 | L447 K450 V479 W480 N483 R487 | L447-E485 HydrophobicContact CD1-CB 3.87Å; L447-E485 HydrophobicContact CD1-CG 3.88Å; K450-E485 HydrophobicContact CB-CG 4.48Å; K450-E485 HydrophobicContact CD-CG 4.32Å; K450-E485 HydrophobicContact CG-CG 4.09Å; V479-E485 CarbonylContact C-O 3.54Å; V479-E485 WeakPolarHBondContact CA-O 3.44Å; W480-E485 HydrophobicContact CB-CB 4.23Å; W480-E485 HydrophobicContact CG-CB 4.46Å; W480-E485 PolarHBondContact N-O 3.17Å; N483-E485 VanDerWaalsContact ND2-CD 3.33Å; N483-E485 PolarHBondContact ND2-OE1 2.98Å; N483-E485 PolarHBondContact O-N 3.19Å; N483-E485 WeakPolarHBondContact OD1-CB 3.49Å; N483-E485 PolarHBondContact OD1-N 3.11Å; E485-R487 IonicContact OE2-CZ 3.88Å; E485-R487 IonicContact OE2-NE 3.43Å; E485-R487 PolarHBondContact OE2-NE 3.1Å; E485-R487 IonicContact OE2-NH2 3.19Å; E485-R487 PolarHBondContact OE2-NH2 2.96Å |
| 486 | V | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.8 | 177.8 | -168.2 | 0 | 0 | 0 | 0 | 107.9 | V448 T449 V451 G478 V479 G484 L502 L520 | V448-V486 WeakPolarHBondContact CB-O 3.07Å; V448-V486 PolarHBondContact N-O 2.84Å; T449-V486 HydrophobicContact CG2-CB 3.89Å; T449-V486 HydrophobicContact CG2-CG2 3.79Å; T449-V486 PolarHBondContact N-O 3.43Å; T449-V486 PolarHBondContact O-N 3.1Å; V451-V486 HydrophobicContact CG2-CG2 4.01Å; G478-V486 WeakPolarHBondContact O-CA 3.43Å; V479-V486 HydrophobicContact CG2-CG1 4.32Å; V479-V486 HydrophobicContact CG2-CG2 4.23Å; G484-V486 PolarHBondContact O-N 3.43Å; V486-L502 HydrophobicContact CG1-CD1 3.78Å; V486-L520 HydrophobicContact CB-CD1 4.48Å; V486-L520 HydrophobicContact CG1-CD1 4.25Å; V486-L520 HydrophobicContact CG2-CD1 3.72Å |
| 487 | R | 92.9 | Very high | 88.7 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 30% | 0.302 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.4 | -174.3 | -59.4 | -166.6 | 175.2 | -139.5 | 10.2 | 112.2 | G445 Y446 L447 F477 G478 E485 | G445-R487 WeakPolarHBondContact O-CD 3.48Å; G445-R487 PolarHBondContact O-NH1 2.93Å; Y446-R487 CarbonylContact O-C 3.52Å; Y446-R487 WeakPolarHBondContact O-CA 3.31Å; Y446-R487 WeakPolarHBondContact O-CB 3.4Å; L447-R487 HydrophobicContact CD1-CG 4.15Å; F477-R487 CarbonylContact C-O 3.54Å; F477-R487 WeakPolarHBondContact CA-O 3Å; G478-R487 PolarHBondContact N-O 3.5Å; G478-R487 PolarHBondContact O-N 2.85Å; E485-R487 IonicContact OE2-CZ 3.88Å; E485-R487 IonicContact OE2-NE 3.43Å; E485-R487 PolarHBondContact OE2-NE 3.1Å; E485-R487 IonicContact OE2-NH2 3.19Å; E485-R487 PolarHBondContact OE2-NH2 2.96Å |
| 488 | T | 91.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 132.9 | 165.6 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | V438 A442 E443 G445 Y446 V448 F477 | V438-T488 HydrophobicContact CG1-CG2 4.46Å; A442-T488 HydrophobicContact CB-CG2 4.4Å; E443-T488 PolarHBondContact O-OG1 3Å; G445-T488 WeakPolarHBondContact CA-O 3.49Å; G445-T488 PolarHBondContact N-O 3.47Å; G445-T488 PolarHBondContact N-OG1 3.39Å; G445-T488 VanDerWaalsContact N-OG1 3.08Å; Y446-T488 WeakPolarHBondContact CB-OG1 3.38Å; Y446-T488 PolarHBondContact N-OG1 2.86Å; Y446-T488 PolarHBondContact O-N 2.95Å; V448-T488 HydrophobicContact CG2-CG2 4.33Å; F477-T488 HydrophobicContact CE1-CG2 4.39Å |
| 489 | A | 89.3 | Confident | 88.2 | Confident | 59 Ų | 59 | 70 Ų | 70 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | trans | -100.7 | -21 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G475 L476 | G475-A489 WeakPolarHBondContact O-CB 3.38Å; L476-A489 PolarHBondContact O-N 3.5Å | ||
| 490 | R | 89 | Confident | 88 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 33% | 0.328 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -142.1 | 172.4 | 171.3 | 62.5 | 167.7 | 176 | 83.8 | -6.6 | 110.5 | L476 D496 | L476-R490 HydrophobicContact CD1-CG 3.85Å; R490-D496 IonicContact CZ-OD1 3.36Å; R490-D496 IonicContact CZ-OD2 2.71Å; R490-D496 IonicContact NH1-OD1 3.2Å; R490-D496 PolarHBondContact NH1-OD1 3.42Å; R490-D496 IonicContact NH1-OD2 2.69Å; R490-D496 PolarHBondContact NH1-OD2 3.18Å; R490-D496 IonicContact NH2-OD1 2.89Å; R490-D496 PolarHBondContact NH2-OD1 2.89Å; R490-D496 IonicContact NH2-OD2 2.68Å |
| 491 | L | 86.4 | Confident | 87.8 | Confident | 111 Ų | 111 | 68.6 Ų | 68.6 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | trans | -63.1 | 142.9 | 171.6 | -165.8 | 71.8 | 0 | 0 | 0 | 110.5 | ||||
| 492 | L | 85.6 | Confident | 87.8 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | trans | -76.5 | 139.2 | 175.6 | -71.6 | 158.8 | 0 | 0 | 0 | 110.9 | V438 P439 A442 L476 L524 | V438-L492 HydrophobicContact CG1-CD1 3.92Å; P439-L492 WeakPolarHBondContact O-CD1 3.08Å; A442-L492 HydrophobicContact CB-CD1 4.04Å; L476-L492 HydrophobicContact CD1-CD2 3.72Å; L476-L492 HydrophobicContact CD1-CG 4.38Å; L476-L492 HydrophobicContact CD2-CD2 3.98Å; L476-L492 HydrophobicContact CG-CD2 4.28Å; L492-L524 HydrophobicContact CD1-CD2 4.13Å; L492-L524 HydrophobicContact CD2-CD1 3.77Å; L492-L524 HydrophobicContact CD2-CD2 3.62Å; L492-L524 HydrophobicContact CD2-CG 4.36Å | ||
| 493 | S | 81.9 | Confident | 88 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | trans | -109.7 | 154.3 | 177.3 | -169.7 | 0 | 0 | 0 | 0 | 111.2 | R440 R495 D496 | R440-S493 PolarHBondContact NH1-O 2.71Å; S493-R495 PolarHBondContact O-N 3.23Å; S493-R495 PolarHBondContact OG-N 3.05Å; S493-D496 WeakPolarHBondContact CB-OD2 3.17Å; S493-D496 PolarHBondContact N-OD2 2.89Å; S493-D496 WeakPolarHBondContact O-CB 3.47Å; S493-D496 PolarHBondContact O-N 3.34Å | ||
| 494 | E | 77.1 | Confident | 88.1 | Confident | 188 Ų | 188 | 58.4 Ų | 58.4 | 88% | 0.879 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.9 | 166.1 | -62.7 | 179.7 | 165.5 | 0 | 0 | 112.4 | ||
| 495 | R | 80.3 | Confident | 88.2 | Confident | 232 Ų | 232 | 59.7 Ų | 59.7 | 88% | 0.875 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -13.9 | 175.7 | -59.4 | -172.7 | -176.9 | -156.7 | 0.6 | 113.9 | S493 | S493-R495 PolarHBondContact O-N 3.23Å; S493-R495 PolarHBondContact OG-N 3.05Å |
| 496 | D | 84.8 | Confident | 88.2 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -75.8 | 130.5 | 179.3 | -65.9 | -39.8 | 0 | 0 | 0 | 110.3 | R440 L476 R490 S493 A498 L524 | R440-D496 PolarHBondContact NH1-O 2.9Å; R440-D496 VanDerWaalsContact NH1-O 3.16Å; L476-D496 HydrophobicContact CD2-CB 4.17Å; R490-D496 IonicContact CZ-OD1 3.36Å; R490-D496 IonicContact CZ-OD2 2.71Å; R490-D496 IonicContact NH1-OD1 3.2Å; R490-D496 PolarHBondContact NH1-OD1 3.42Å; R490-D496 IonicContact NH1-OD2 2.69Å; R490-D496 PolarHBondContact NH1-OD2 3.18Å; R490-D496 IonicContact NH2-OD1 2.89Å; R490-D496 PolarHBondContact NH2-OD1 2.89Å; R490-D496 IonicContact NH2-OD2 2.68Å; S493-D496 WeakPolarHBondContact CB-OD2 3.17Å; S493-D496 PolarHBondContact N-OD2 2.89Å; S493-D496 WeakPolarHBondContact O-CB 3.47Å; S493-D496 PolarHBondContact O-N 3.34Å; D496-A498 PolarHBondContact O-N 2.68Å; D496-L524 HydrophobicContact CB-CD1 4.22Å |
| 497 | A | 85.7 | Confident | 88.3 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 34% | 0.339 | 30% | 0.299 | S | S | . | . | trans | -57.1 | 125.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K499 H500 | A497-K499 PolarHBondContact O-N 2.76Å; A497-H500 PolarHBondContact O-CE1 2.85Å; A497-H500 PolarHBondContact O-NE2 3.42Å; A497-H500 VanDerWaalsContact O-NE2 3.17Å | ||
| 498 | A | 84.4 | Confident | 88.4 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -58.9 | -21.7 | -171 | 0 | 0 | 0 | 0 | 0 | 115.2 | D496 L524 | D496-A498 PolarHBondContact O-N 2.68Å; A498-L524 PolarHBondContact O-N 3.24Å |
| 499 | K | 87.8 | Confident | 88.4 | Confident | 117 Ų | 117 | 61.7 Ų | 61.7 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118.1 | 174.1 | -176.1 | 174.6 | -176.7 | 171.3 | 0 | 110.2 | A497 V522 L523 | A497-K499 PolarHBondContact O-N 2.76Å; K499-V522 WeakPolarHBondContact CA-O 3.34Å; K499-L523 HydrophobicContact CB-CD1 4.16Å |
| 500 | H | 89 | Confident | 88.5 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 153 | 171.9 | -50.5 | -75 | 0 | 0 | 0 | 111.2 | L476 F477 A497 V522 L524 | L476-H500 VanDerWaalsContact CD2-CE1 3.43Å; L476-H500 WeakPolarHBondContact CD2-CE1 2.85Å; L476-H500 WeakPolarHBondContact CD2-NE2 3.42Å; F477-H500 HydrophobicContact CE2-CB 4.08Å; F477-H500 AromaticContact CE2-CD2 3.42Å; F477-H500 VanDerWaalsContact CE2-CD2 3.42Å; F477-H500 WeakPolarHBondContact CE2-CD2 3.47Å; F477-H500 AromaticContact CE2-CG 3.68Å; F477-H500 AromaticContact CE2-NE2 3.85Å; F477-H500 AromaticContact CZ-CD2 3.6Å; A497-H500 PolarHBondContact O-CE1 2.85Å; A497-H500 PolarHBondContact O-NE2 3.42Å; A497-H500 VanDerWaalsContact O-NE2 3.17Å; H500-V522 HydrophobicContact CB-CB 4.39Å; H500-V522 PolarHBondContact N-O 3.06Å; H500-V522 PolarHBondContact O-N 3.4Å; H500-L524 WeakPolarHBondContact NE2-CD1 3.31Å |
| 501 | R | 90.1 | Very high | 88.4 | Confident | 131 Ų | 131 | 63.8 Ų | 63.8 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.8 | 164.4 | -179 | -175.7 | 174.1 | -164.2 | -1.9 | 107.7 | A471 T472 T519 L520 | A471-R501 CarbonylContact C-O 3.55Å; A471-R501 WeakPolarHBondContact CA-O 3.5Å; T472-R501 PolarHBondContact N-O 3Å; T472-R501 PolarHBondContact OG1-N 3.34Å; T472-R501 PolarHBondContact OG1-O 3.31Å; R501-T519 HydrophobicContact CG-CG2 3.85Å; R501-T519 PolarHBondContact NH2-OG1 2.83Å; R501-L520 WeakPolarHBondContact CA-O 3.3Å |
| 502 | L | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 147.3 | 170.9 | -47.4 | 177.9 | 0 | 0 | 0 | 108.4 | L468 K470 A471 F477 V486 T519 L520 V522 | L468-L502 HydrophobicContact CD1-CB 4.03Å; L468-L502 HydrophobicContact CD1-CD2 4.43Å; K470-L502 CarbonylContact O-C 3.54Å; K470-L502 WeakPolarHBondContact O-CA 3.35Å; A471-L502 HydrophobicContact CB-CD2 3.61Å; F477-L502 HydrophobicContact CB-CD1 3.91Å; F477-L502 HydrophobicContact CB-CD2 4.22Å; F477-L502 HydrophobicContact CD1-CD1 4.28Å; F477-L502 HydrophobicContact CD2-CD1 4.16Å; F477-L502 HydrophobicContact CD2-CD2 3.71Å; F477-L502 HydrophobicContact CD2-CG 4.49Å; F477-L502 HydrophobicContact CE2-CD2 4.42Å; F477-L502 HydrophobicContact CG-CD1 3.85Å; F477-L502 HydrophobicContact CG-CD2 4.15Å; V486-L502 HydrophobicContact CG1-CD1 3.78Å; L502-T519 WeakPolarHBondContact O-CA 3.5Å; L502-L520 HydrophobicContact CB-CB 4.14Å; L502-L520 HydrophobicContact CB-CD1 4.27Å; L502-L520 HydrophobicContact CB-CG 4.45Å; L502-L520 HydrophobicContact CD1-CD1 4.31Å; L502-L520 PolarHBondContact N-O 3.25Å; L502-L520 PolarHBondContact O-N 3.37Å; L502-V522 HydrophobicContact CD1-CG2 4.06Å; L502-V522 HydrophobicContact CG-CG2 4.42Å |
| 503 | V | 91.9 | Very high | 89 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 109.8 | 169.8 | -176.4 | 0 | 0 | 0 | 0 | 106.5 | L469 K470 T517 A518 | L469-V503 HydrophobicContact CD2-CG1 4.32Å; L469-V503 PolarHBondContact N-O 3.19Å; K470-V503 HydrophobicContact CB-CB 4.09Å; K470-V503 HydrophobicContact CB-CG2 4.26Å; K470-V503 PolarHBondContact N-O 3.32Å; K470-V503 VanDerWaalsContact N-O 3.16Å; K470-V503 PolarHBondContact O-N 2.86Å; V503-T517 HydrophobicContact CG1-CG2 4.2Å; V503-A518 WeakPolarHBondContact CA-O 3.36Å |
| 504 | V | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124 | 176.9 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | V451 Q467 L468 V479 T517 A518 L520 | V451-V504 HydrophobicContact CG2-CB 4.16Å; V451-V504 HydrophobicContact CG2-CG1 4.16Å; V451-V504 HydrophobicContact CG2-CG2 4.05Å; Q467-V504 CarbonylContact O-C 3.49Å; Q467-V504 WeakPolarHBondContact O-CA 3.43Å; L468-V504 HydrophobicContact CD1-CG2 4.43Å; V479-V504 HydrophobicContact CG1-CG1 3.96Å; V479-V504 HydrophobicContact CG2-CG1 4.31Å; V479-V504 HydrophobicContact CG2-CG2 3.85Å; V504-T517 CarbonylContact O-C 3.6Å; V504-T517 VanDerWaalsContact O-CA 3.31Å; V504-T517 WeakPolarHBondContact O-CA 3.29Å; V504-A518 HydrophobicContact CB-CB 4.48Å; V504-A518 PolarHBondContact N-O 3.44Å; V504-A518 PolarHBondContact O-N 2.84Å; V504-L520 HydrophobicContact CG2-CD1 3.7Å; V504-L520 HydrophobicContact CG2-CG 4.28Å |
| 505 | L | 94.1 | Very high | 90.4 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127 | 166.7 | -173.1 | 72.3 | 0 | 0 | 0 | 107.8 | Q467 L469 K507 T517 | Q467-L505 HydrophobicContact CB-CB 4.47Å; Q467-L505 PolarHBondContact N-O 3.06Å; Q467-L505 PolarHBondContact O-N 2.76Å; L469-L505 HydrophobicContact CB-CB 4.11Å; L469-L505 HydrophobicContact CD1-CB 4.16Å; L469-L505 HydrophobicContact CD1-CD1 4.26Å; L469-L505 HydrophobicContact CD1-CD2 4.17Å; L469-L505 HydrophobicContact CD1-CG 4.45Å; L505-K507 HydrophobicContact CD2-CB 4.36Å; L505-K507 HydrophobicContact CG-CB 4.38Å; L505-T517 HydrophobicContact CD1-CG2 3.81Å |
| 506 | V | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.2 | 161.3 | -171.3 | 0 | 0 | 0 | 0 | 106.4 | P421 V423 V451 A453 L464 S465 Y466 S515 A516 | P421-V506 HydrophobicContact CB-CB 4.12Å; P421-V506 HydrophobicContact CB-CG1 3.73Å; P421-V506 HydrophobicContact CG-CG1 4.42Å; V423-V506 HydrophobicContact CG2-CG2 4.14Å; V451-V506 HydrophobicContact CG1-CG2 3.94Å; A453-V506 HydrophobicContact CB-CB 4.44Å; A453-V506 HydrophobicContact CB-CG1 3.82Å; A453-V506 HydrophobicContact CB-CG2 4.21Å; L464-V506 HydrophobicContact CB-CG1 4.26Å; L464-V506 HydrophobicContact CD1-CG1 4.18Å; L464-V506 HydrophobicContact CD2-CG1 4.21Å; L464-V506 HydrophobicContact CG-CG1 4.46Å; S465-V506 WeakPolarHBondContact O-CA 3.39Å; Y466-V506 HydrophobicContact CD1-CG1 4.35Å; Y466-V506 HydrophobicContact CD1-CG2 3.81Å; Y466-V506 HydrophobicContact CE1-CG1 4.03Å; Y466-V506 HydrophobicContact CE1-CG2 3.78Å; V506-S515 CarbonylContact O-C 3.56Å; V506-S515 WeakPolarHBondContact O-CA 3.36Å; V506-S515 WeakPolarHBondContact O-CB 3.41Å; V506-A516 PolarHBondContact N-O 3.16Å; V506-A516 PolarHBondContact O-N 3.32Å; V506-A516 VanDerWaalsContact O-O 3.12Å |
| 507 | K | 94.2 | Very high | 91.3 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134.3 | -174.6 | -174.4 | -154.4 | 163.5 | -166.8 | 0 | 109.3 | S465 L505 P513 R514 | S465-K507 WeakPolarHBondContact CA-O 3.34Å; S465-K507 PolarHBondContact N-O 3.06Å; S465-K507 PolarHBondContact O-N 2.86Å; S465-K507 PolarHBondContact OG-O 3.2Å; L505-K507 HydrophobicContact CD2-CB 4.36Å; L505-K507 HydrophobicContact CG-CB 4.38Å; K507-P513 HydrophobicContact CG-CB 4.49Å; K507-R514 WeakPolarHBondContact CA-O 3.16Å; K507-R514 VanDerWaalsContact CG-O 3.26Å; K507-R514 WeakPolarHBondContact CG-O 3.49Å |
| 508 | D | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -69.2 | -175 | 171.8 | 63.3 | 52.6 | 0 | 0 | 0 | 113.1 | N417 P421 N461 W463 G510 P513 R514 | N417-D508 PolarHBondContact ND2-OD1 3.3Å; N417-D508 PolarHBondContact ND2-OD2 2.72Å; P421-D508 HydrophobicContact CG-CB 4.44Å; N461-D508 WeakPolarHBondContact O-CB 3.32Å; W463-D508 CarbonylContact O-C 3.58Å; D508-G510 PolarHBondContact OD1-N 3Å; D508-P513 WeakPolarHBondContact OD1-CA 3.46Å; D508-P513 WeakPolarHBondContact OD1-CB 3.42Å; D508-R514 VanDerWaalsContact CG-N 3.32Å; D508-R514 PolarHBondContact N-O 2.9Å; D508-R514 PolarHBondContact OD1-N 3.17Å; D508-R514 VanDerWaalsContact OD2-CA 3.22Å; D508-R514 WeakPolarHBondContact OD2-CA 3.5Å; D508-R514 VanDerWaalsContact OD2-CB 3.24Å; D508-R514 WeakPolarHBondContact OD2-CB 3.17Å; D508-R514 PolarHBondContact OD2-N 3.04Å; D508-R514 VanDerWaalsContact OD2-O 3.12Å | ||
| 509 | N | 92.4 | Very high | 91.8 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -119.3 | 25.5 | 172.6 | -158.1 | 53.2 | 0 | 0 | 0 | 112.7 | Q460 W463 | Q460-N509 CarbonylContact O-C 3.51Å; Q460-N509 PolarHBondContact O-N 3.43Å; Q460-N509 PolarHBondContact OE1-ND2 3.49Å; W463-N509 HydrophobicContact CB-CB 4.05Å; W463-N509 PolarHBondContact O-N 2.9Å |
| 510 | G | 90.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -82.4 | 179.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N417 N461 D508 P513 | N417-G510 WeakPolarHBondContact OD1-CA 3.39Å; N461-G510 WeakPolarHBondContact OD1-CA 3.39Å; D508-G510 PolarHBondContact OD1-N 3Å; G510-P513 WeakPolarHBondContact O-CA 3.45Å; G510-P513 VanDerWaalsContact O-CB 3.23Å; G510-P513 WeakPolarHBondContact O-CB 3.43Å; G510-P513 VanDerWaalsContact O-CD 3.27Å; G510-P513 WeakPolarHBondContact O-CD 3.38Å |
| 511 | E | 87.5 | Confident | 91.8 | Very high | 185 Ų | 185 | 48.4 Ų | 48.4 | 86% | 0.864 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -132.9 | 115.3 | 175.7 | -68.8 | -165.1 | 162.1 | 0 | 0 | 111.6 | ||
| 512 | P | 91.3 | Very high | 91.8 | Very high | 104 Ų | 104 | 42.1 Ų | 42.1 | 68% | 0.675 | 23% | 0.232 | S | C | * | . | S | Bend | cis | -71.2 | 139.5 | -6.8 | 31.7 | -34.5 | 0 | 0 | 0 | 111.2 | N417 | N417-P512 PolarHBondContact ND2-O 2.66Š|
| 513 | P | 92.4 | Very high | 91.6 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | trans | -77.7 | 143 | -176.2 | 29.4 | -33.6 | 0 | 0 | 0 | 112 | K507 D508 G510 | K507-P513 HydrophobicContact CG-CB 4.49Å; D508-P513 WeakPolarHBondContact OD1-CA 3.46Å; D508-P513 WeakPolarHBondContact OD1-CB 3.42Å; G510-P513 WeakPolarHBondContact O-CA 3.45Å; G510-P513 VanDerWaalsContact O-CB 3.23Å; G510-P513 WeakPolarHBondContact O-CB 3.43Å; G510-P513 VanDerWaalsContact O-CD 3.27Å; G510-P513 WeakPolarHBondContact O-CD 3.38Å | ||
| 514 | R | 94.2 | Very high | 91.4 | Very high | 90 Ų | 90 | 44.8 Ų | 44.8 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | trans | -111.7 | 171.5 | -178.4 | -58.4 | 168.6 | 173 | -135.5 | 14.4 | 110 | N417 D418 N419 K507 D508 | N417-R514 WeakPolarHBondContact ND2-CG 3.47Å; N417-R514 VanDerWaalsContact O-CZ 3.24Å; N417-R514 PolarHBondContact O-NE 3.11Å; N417-R514 PolarHBondContact O-NH2 3.06Å; D418-R514 VanDerWaalsContact CA-NH2 3.31Å; D418-R514 PolarHBondContact O-NH1 3Å; D418-R514 PolarHBondContact O-NH2 3.01Å; D418-R514 VanDerWaalsContact O-NH2 3.11Å; N419-R514 WeakPolarHBondContact O-CD 3.4Å; N419-R514 PolarHBondContact O-NH1 2.96Å; N419-R514 VanDerWaalsContact O-NH1 3.08Å; K507-R514 WeakPolarHBondContact CA-O 3.16Å; K507-R514 VanDerWaalsContact CG-O 3.26Å; K507-R514 WeakPolarHBondContact CG-O 3.49Å; D508-R514 VanDerWaalsContact CG-N 3.32Å; D508-R514 PolarHBondContact N-O 2.9Å; D508-R514 PolarHBondContact OD1-N 3.17Å; D508-R514 VanDerWaalsContact OD2-CA 3.22Å; D508-R514 WeakPolarHBondContact OD2-CA 3.5Å; D508-R514 VanDerWaalsContact OD2-CB 3.24Å; D508-R514 WeakPolarHBondContact OD2-CB 3.17Å; D508-R514 PolarHBondContact OD2-N 3.04Å; D508-R514 VanDerWaalsContact OD2-O 3.12Å | ||
| 515 | S | 94.4 | Very high | 91 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 44% | 0.441 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 152.1 | -170.1 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | V506 | V506-S515 CarbonylContact O-C 3.56Å; V506-S515 WeakPolarHBondContact O-CA 3.36Å; V506-S515 WeakPolarHBondContact O-CB 3.41Å |
| 516 | A | 93.3 | Very high | 90.1 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 165 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P421 V423 V506 | P421-A516 WeakPolarHBondContact O-CB 3.16Å; V423-A516 HydrophobicContact CG2-CB 4.39Å; V506-A516 PolarHBondContact N-O 3.16Å; V506-A516 PolarHBondContact O-N 3.32Å; V506-A516 VanDerWaalsContact O-O 3.12Å |
| 517 | T | 92.1 | Very high | 88.5 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.9 | 178.1 | 59 | 0 | 0 | 0 | 0 | 112.1 | V503 V504 L505 | V503-T517 HydrophobicContact CG1-CG2 4.2Å; V504-T517 CarbonylContact O-C 3.6Å; V504-T517 VanDerWaalsContact O-CA 3.31Å; V504-T517 WeakPolarHBondContact O-CA 3.29Å; L505-T517 HydrophobicContact CD1-CG2 3.81Å |
| 518 | A | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V423 V451 V503 V504 L520 | V423-A518 HydrophobicContact CG1-CB 3.97Å; V423-A518 HydrophobicContact CG2-CB 4.24Å; V451-A518 HydrophobicContact CG1-CB 3.94Å; V503-A518 WeakPolarHBondContact CA-O 3.36Å; V504-A518 HydrophobicContact CB-CB 4.48Å; V504-A518 PolarHBondContact N-O 3.44Å; V504-A518 PolarHBondContact O-N 2.84Å; A518-L520 HydrophobicContact CB-CD2 4.47Å |
| 519 | T | 89.3 | Confident | 84.6 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 130.4 | 164 | -66 | 0 | 0 | 0 | 0 | 109.1 | Q428 R501 L502 | Q428-T519 PolarHBondContact NE2-O 2.89Å; R501-T519 HydrophobicContact CG-CG2 3.85Å; R501-T519 PolarHBondContact NH2-OG1 2.83Å; L502-T519 WeakPolarHBondContact O-CA 3.5Å |
| 520 | L | 89.3 | Confident | 82.1 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.3 | 173.8 | -43.6 | 174.7 | 0 | 0 | 0 | 108.7 | P426 T449 V451 V486 R501 L502 V504 A518 | P426-L520 HydrophobicContact CG-CD2 3.28Å; T449-L520 HydrophobicContact CG2-CD1 4.05Å; V451-L520 HydrophobicContact CG2-CD1 4.15Å; V451-L520 HydrophobicContact CG2-CD2 4.19Å; V486-L520 HydrophobicContact CB-CD1 4.48Å; V486-L520 HydrophobicContact CG1-CD1 4.25Å; V486-L520 HydrophobicContact CG2-CD1 3.72Å; R501-L520 WeakPolarHBondContact CA-O 3.3Å; L502-L520 HydrophobicContact CB-CB 4.14Å; L502-L520 HydrophobicContact CB-CD1 4.27Å; L502-L520 HydrophobicContact CB-CG 4.45Å; L502-L520 HydrophobicContact CD1-CD1 4.31Å; L502-L520 PolarHBondContact N-O 3.25Å; L502-L520 PolarHBondContact O-N 3.37Å; V504-L520 HydrophobicContact CG2-CD1 3.7Å; V504-L520 HydrophobicContact CG2-CG 4.28Å; A518-L520 HydrophobicContact CB-CD2 4.47Å |
| 521 | H | 88.8 | Confident | 79.7 | Confident | 37 Ų | 37 | 68.8 Ų | 68.8 | 17% | 0.171 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.6 | 164.9 | -73.1 | -73.2 | 0 | 0 | 0 | 109.3 | C434 T435 E436 | C434-H521 PolarHBondContact O-N 2.86Å; T435-H521 CarbonylContact C-O 3.59Å; T435-H521 WeakPolarHBondContact CA-O 3.47Å; T435-H521 HydrophobicContact CG2-CB 4.3Å; E436-H521 PolarHBondContact N-O 3.2Å |
| 522 | V | 88.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.8 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | E436 V438 V448 F477 K499 H500 L502 | E436-V522 CarbonylContact O-C 3.54Å; E436-V522 WeakPolarHBondContact O-CA 3.39Å; V438-V522 HydrophobicContact CB-CG1 4.09Å; V438-V522 HydrophobicContact CG2-CG1 3.5Å; V448-V522 HydrophobicContact CG1-CG1 4.14Å; V448-V522 HydrophobicContact CG1-CG2 3.91Å; F477-V522 HydrophobicContact CE1-CG1 4.14Å; F477-V522 HydrophobicContact CZ-CB 4.45Å; F477-V522 HydrophobicContact CZ-CG1 3.96Å; K499-V522 WeakPolarHBondContact CA-O 3.34Å; H500-V522 HydrophobicContact CB-CB 4.39Å; H500-V522 PolarHBondContact N-O 3.06Å; H500-V522 PolarHBondContact O-N 3.4Å; L502-V522 HydrophobicContact CD1-CG2 4.06Å; L502-V522 HydrophobicContact CG-CG2 4.42Å |
| 523 | L | 88.2 | Confident | 74.7 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.8 | 176.9 | -171.5 | 74.3 | 0 | 0 | 0 | 109.1 | T435 E436 L437 V438 K499 V525 | T435-L523 HydrophobicContact CG2-CB 3.91Å; E436-L523 PolarHBondContact O-N 2.99Å; L437-L523 HydrophobicContact CD2-CB 3.98Å; L437-L523 HydrophobicContact CD2-CD2 3.93Å; L437-L523 HydrophobicContact CD2-CG 4.48Å; V438-L523 PolarHBondContact N-O 2.87Å; K499-L523 HydrophobicContact CB-CD1 4.16Å; L523-V525 HydrophobicContact CD2-CG1 4.29Å; L523-V525 HydrophobicContact CG-CG1 4.42Å |
| 524 | L | 86.9 | Confident | 72.1 | Confident | 8 Ų | 8 | 74.3 Ų | 74.3 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123 | 173 | -56.6 | -173.7 | 0 | 0 | 0 | 109.1 | V438 R440 L492 D496 A498 H500 | V438-L524 HydrophobicContact CB-CD2 4.19Å; V438-L524 HydrophobicContact CG1-CD2 4.29Å; V438-L524 WeakPolarHBondContact O-CA 3.19Å; R440-L524 HydrophobicContact CG-CB 4.19Å; L492-L524 HydrophobicContact CD1-CD2 4.13Å; L492-L524 HydrophobicContact CD2-CD1 3.77Å; L492-L524 HydrophobicContact CD2-CD2 3.62Å; L492-L524 HydrophobicContact CD2-CG 4.36Å; D496-L524 HydrophobicContact CB-CD1 4.22Å; A498-L524 PolarHBondContact O-N 3.24Å; H500-L524 WeakPolarHBondContact NE2-CD1 3.31Å |
| 525 | V | 84.4 | Confident | 69.3 | Low | 30 Ų | 30 | 77.9 Ų | 77.9 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 143.1 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | L437 V438 P439 R440 L523 G527 F528 | L437-V525 HydrophobicContact CD2-CG1 4.21Å; V438-V525 PolarHBondContact O-N 3.08Å; P439-V525 CarbonylContact C-O 3.55Å; P439-V525 WeakPolarHBondContact CA-O 3.13Å; R440-V525 PolarHBondContact N-O 2.65Å; L523-V525 HydrophobicContact CD2-CG1 4.29Å; L523-V525 HydrophobicContact CG-CG1 4.42Å; V525-G527 PolarHBondContact O-N 3.37Å; V525-F528 HydrophobicContact CG2-CD1 4.32Å; V525-F528 HydrophobicContact CG2-CE1 4.22Å |
| 526 | D | 74.5 | Confident | 66.6 | Low | 136 Ų | 136 | 80.2 Ų | 80.2 | 73% | 0.727 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -82.8 | 59.5 | -175.7 | -57.9 | -37.3 | 0 | 0 | 0 | 110.7 | R440 | R440-D526 WeakPolarHBondContact CD-OD1 3.24Å; R440-D526 WeakPolarHBondContact CG-OD1 3.17Å; R440-D526 IonicContact CZ-OD1 3.87Å; R440-D526 IonicContact NE-OD1 2.76Å; R440-D526 PolarHBondContact NE-OD1 3.25Å |
| 527 | G | 61 | Low | 64.1 | Low | 38 Ų | 38 | 88.3 Ų | 88.3 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | trans | 87.5 | 146.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V525 S529 | V525-G527 PolarHBondContact O-N 3.37Å; G527-S529 PolarHBondContact O-N 3.19Å | ||
| 528 | F | 60.5 | Low | 61.6 | Low | 111 Ų | 111 | 89 Ų | 89 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | trans | -74.9 | 103.1 | 159.5 | -63.7 | -72.5 | 0 | 0 | 0 | 107.5 | L437 P439 V525 Q530 | L437-F528 HydrophobicContact CB-CE1 3.62Å; L437-F528 HydrophobicContact CB-CZ 3.97Å; L437-F528 HydrophobicContact CD1-CE1 4.11Å; P439-F528 HydrophobicContact CB-CD2 4.24Å; P439-F528 HydrophobicContact CB-CE2 4.17Å; P439-F528 HydrophobicContact CG-CD2 4.28Å; P439-F528 HydrophobicContact CG-CE2 3.85Å; V525-F528 HydrophobicContact CG2-CD1 4.32Å; V525-F528 HydrophobicContact CG2-CE1 4.22Å; F528-Q530 PolarHBondContact O-N 2.8Å; F528-Q530 VanDerWaalsContact O-N 3.14Å | ||
| 529 | S | 48.2 | Very low | 59.4 | Low | 109 Ų | 109 | 92.8 Ų | 92.8 | 76% | 0.762 | 52% | 0.521 | S | S | * | . | trans | -61.4 | 117.4 | 160.6 | 47.6 | 0 | 0 | 0 | 0 | 107.4 | G527 P531 | G527-S529 PolarHBondContact O-N 3.19Å; S529-P531 WeakPolarHBondContact O-CD 3.36Å | ||
| 530 | Q | 39.2 | Very low | 56.9 | Low | 179 Ų | 179 | 97.4 Ų | 97.4 | 84% | 0.836 | 55% | 0.551 | S | S | * | * | trans | -80.7 | 102.2 | 164.5 | -74.7 | -177.9 | -39 | 0 | 0 | 107.8 | F528 Y532 | F528-Q530 PolarHBondContact O-N 2.8Å; F528-Q530 VanDerWaalsContact O-N 3.14Å; Q530-Y532 PolarHBondContact O-N 3.26Å | ||
| 531 | P | 39.5 | Very low | 54.6 | Low | 93 Ų | 93 | 101.6 Ų | 101.6 | 60% | 0.604 | 59% | 0.586 | S | S | * | * | trans | -61.6 | 124.4 | 141.6 | 30.5 | -30.3 | 0 | 0 | 0 | 105.9 | S529 L533 | S529-P531 WeakPolarHBondContact O-CD 3.36Å; P531-L533 PolarHBondContact O-N 2.86Å | ||
| 532 | Y | 36.9 | Very low | 52.6 | Low | 219 Ų | 219 | 108.7 Ų | 108.7 | 86% | 0.859 | 62% | 0.619 | S | S | * | * | trans | -68.3 | 84.8 | 164.2 | -155.5 | -83.7 | 0 | 0 | 0 | 106.2 | Q530 P534 | Q530-Y532 PolarHBondContact O-N 3.26Å; Y532-P534 VanDerWaalsContact O-CD 3.32Å; Y532-P534 WeakPolarHBondContact O-CD 3.32Å | ||
| 533 | L | 37.3 | Very low | 50.4 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 122.4 | 177.9 | -85 | 169.8 | 0 | 0 | 0 | 107.5 | P531 L535 | P531-L533 PolarHBondContact O-N 2.86Å; L533-L535 PolarHBondContact O-N 3.43Å |
| 534 | P | 37.7 | Very low | 48.7 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 68% | 0.682 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 138 | 162.2 | -19 | 32.1 | 0 | 0 | 0 | 107.6 | Y532 P536 | Y532-P534 VanDerWaalsContact O-CD 3.32Å; Y532-P534 WeakPolarHBondContact O-CD 3.32Å; P534-P536 WeakPolarHBondContact O-CD 3.27Å |
| 535 | L | 34.7 | Very low | 46.9 | Very low | 165 Ų | 165 | 122 Ų | 122 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 126.2 | 162.8 | -80.5 | 161.1 | 0 | 0 | 0 | 107.3 | L533 E537 | L533-L535 PolarHBondContact O-N 3.43Å; L535-E537 PolarHBondContact O-N 3.33Å |
| 536 | P | 39.2 | Very low | 45.7 | Very low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 129.8 | 168.7 | -21.3 | 32.5 | 0 | 0 | 0 | 107.8 | P534 A538 | P534-P536 WeakPolarHBondContact O-CD 3.27Å; P536-A538 PolarHBondContact O-N 2.8Å |
| 537 | E | 40.6 | Very low | 45.2 | Very low | 202 Ų | 202 | 123 Ų | 123 | 94% | 0.944 | 72% | 0.718 | S | S | * | * | trans | -68.5 | 78.6 | 162.4 | -75.4 | -170.4 | 122.4 | 0 | 0 | 108 | L535 A539 | L535-E537 PolarHBondContact O-N 3.33Å; E537-A539 PolarHBondContact O-N 2.82Å | ||
| 538 | A | 39.7 | Very low | 45.3 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | trans | -60.1 | 105.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | P536 | P536-A538 PolarHBondContact O-N 2.8Š| ||
| 539 | A | 41.8 | Very low | 45.8 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | trans | -47.5 | 143.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | E537 A541 | E537-A539 PolarHBondContact O-N 2.82Å; A539-A541 PolarHBondContact O-N 2.91Å | ||
| 540 | P | 38.6 | Very low | 46.9 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | trans | -68.9 | 80.9 | -169.7 | 27.9 | -36 | 0 | 0 | 0 | 111.7 | Q542 | P540-Q542 PolarHBondContact O-N 3.32Š| ||
| 541 | A | 41.3 | Very low | 48.8 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | trans | -56.8 | 118.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | A539 A543 | A539-A541 PolarHBondContact O-N 2.91Å; A541-A543 PolarHBondContact O-N 3.38Å | ||
| 542 | Q | 44.9 | Very low | 50.7 | Low | 186 Ų | 186 | 125.1 Ų | 125.1 | 87% | 0.869 | 71% | 0.71 | S | S | * | * | trans | -61.2 | 110.9 | -179 | -68.4 | 170.1 | -86.1 | 0 | 0 | 108 | P540 Q544 | P540-Q542 PolarHBondContact O-N 3.32Å; Q542-Q544 PolarHBondContact O-N 3.3Å | ||
| 543 | A | 42.4 | Very low | 52.8 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | trans | -69.4 | 83.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A541 A545 | A541-A543 PolarHBondContact O-N 3.38Å; A543-A545 PolarHBondContact O-N 2.87Å | ||
| 544 | Q | 53.2 | Low | 54.9 | Low | 183 Ų | 183 | 116.7 Ų | 116.7 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | trans | -60.9 | 90.5 | 164.7 | -167 | 89 | 0 | 0 | 0 | 106.3 | Q542 D546 | Q542-Q544 PolarHBondContact O-N 3.3Å; Q544-D546 PolarHBondContact O-N 3.49Å | ||
| 545 | A | 48.5 | Very low | 57 | Low | 70 Ų | 70 | 114.1 Ų | 114.1 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | trans | -59.9 | 115 | -170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A543 S547 V550 | A543-A545 PolarHBondContact O-N 2.87Å; A545-S547 PolarHBondContact O-N 2.95Å; A545-S547 VanDerWaalsContact O-N 3.16Å; A545-V550 HydrophobicContact CB-CG2 4.1Å | ||
| 546 | D | 60 | Low | 59.5 | Low | 113 Ų | 113 | 112 Ų | 112 | 60% | 0.604 | 66% | 0.663 | S | S | * | * | trans | -64.2 | 119 | -175.5 | -164.8 | 4 | 0 | 0 | 0 | 108.9 | Q544 L548 T549 | Q544-D546 PolarHBondContact O-N 3.49Å; D546-L548 PolarHBondContact O-N 3.4Å; D546-L548 VanDerWaalsContact O-N 3.07Å; D546-T549 HydrophobicContact CB-CG2 4.37Å; D546-T549 WeakPolarHBondContact O-CB 3.37Å; D546-T549 PolarHBondContact O-N 3.03Å; D546-T549 PolarHBondContact O-OG1 3.35Å | ||
| 547 | S | 63.1 | Low | 61.6 | Low | 72 Ų | 72 | 109.1 Ų | 109.1 | 50% | 0.503 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.3 | -31.8 | -158.3 | 63 | 0 | 0 | 0 | 0 | 112.3 | A545 T549 V550 Y551 | A545-S547 PolarHBondContact O-N 2.95Å; A545-S547 VanDerWaalsContact O-N 3.16Å; S547-T549 VanDerWaalsContact C-N 3.28Å; S547-T549 PolarHBondContact O-N 3.1Å; S547-V550 PolarHBondContact O-N 2.88Å; S547-Y551 WeakPolarHBondContact O-CD2 3.29Å; S547-Y551 PolarHBondContact O-N 2.76Å |
| 548 | L | 64.5 | Low | 63.7 | Low | 132 Ų | 132 | 102.3 Ų | 102.3 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -57.4 | -38.4 | 174.8 | -148.8 | 81.7 | 0 | 0 | 0 | 112.6 | D546 Y551 L552 | D546-L548 PolarHBondContact O-N 3.4Å; D546-L548 VanDerWaalsContact O-N 3.07Å; L548-Y551 PolarHBondContact O-N 3.26Å; L548-L552 WeakPolarHBondContact O-CB 3.38Å; L548-L552 PolarHBondContact O-N 2.87Å |
| 549 | T | 71.3 | Confident | 66.1 | Low | 76 Ų | 76 | 103 Ų | 103 | 47% | 0.466 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.5 | -37 | 179.2 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | D546 S547 L552 V553 | D546-T549 HydrophobicContact CB-CG2 4.37Å; D546-T549 WeakPolarHBondContact O-CB 3.37Å; D546-T549 PolarHBondContact O-N 3.03Å; D546-T549 PolarHBondContact O-OG1 3.35Å; S547-T549 VanDerWaalsContact C-N 3.28Å; S547-T549 PolarHBondContact O-N 3.1Å; T549-L552 PolarHBondContact O-N 2.89Å; T549-V553 WeakPolarHBondContact O-CG2 3.39Å; T549-V553 PolarHBondContact O-N 2.6Å |
| 550 | V | 71.5 | Confident | 68.2 | Low | 72 Ų | 72 | 102.1 Ų | 102.1 | 44% | 0.436 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.6 | -46.5 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | A545 S547 L552 V553 V554 | A545-V550 HydrophobicContact CB-CG2 4.1Å; S547-V550 PolarHBondContact O-N 2.88Å; V550-L552 PolarHBondContact O-N 2.91Å; V550-V553 PolarHBondContact O-N 3.31Å; V550-V554 HydrophobicContact CG1-CG2 4.36Å; V550-V554 WeakPolarHBondContact O-CB 3.14Å; V550-V554 VanDerWaalsContact O-CG2 3.26Å; V550-V554 WeakPolarHBondContact O-CG2 3.12Å; V550-V554 PolarHBondContact O-N 2.89Å |
| 551 | Y | 77.7 | Confident | 70.5 | Confident | 173 Ų | 173 | 99.6 Ų | 99.6 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.7 | -38.7 | 175.9 | -73.6 | -61.1 | 0 | 0 | 0 | 112.8 | S547 L548 V554 A555 | S547-Y551 WeakPolarHBondContact O-CD2 3.29Å; S547-Y551 PolarHBondContact O-N 2.76Å; L548-Y551 PolarHBondContact O-N 3.26Å; Y551-V554 PolarHBondContact O-N 2.84Å; Y551-A555 VanDerWaalsContact O-CB 3.25Å; Y551-A555 WeakPolarHBondContact O-CB 3.48Å; Y551-A555 PolarHBondContact O-N 3.12Å |
| 552 | L | 80 | Confident | 72.8 | Confident | 123 Ų | 123 | 101 Ų | 101 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.3 | -47.3 | 176.1 | -170.2 | 75.6 | 0 | 0 | 0 | 111.7 | L548 T549 V550 A555 L556 | L548-L552 WeakPolarHBondContact O-CB 3.38Å; L548-L552 PolarHBondContact O-N 2.87Å; T549-L552 PolarHBondContact O-N 2.89Å; V550-L552 PolarHBondContact O-N 2.91Å; L552-A555 PolarHBondContact O-N 2.96Å; L552-L556 WeakPolarHBondContact O-CB 3.33Å; L552-L556 PolarHBondContact O-N 2.86Å |
| 553 | V | 81.9 | Confident | 74.9 | Confident | 103 Ų | 103 | 99 Ų | 99 | 62% | 0.624 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65 | -41.7 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | T549 V550 L556 A557 | T549-V553 WeakPolarHBondContact O-CG2 3.39Å; T549-V553 PolarHBondContact O-N 2.6Å; V550-V553 PolarHBondContact O-N 3.31Å; V553-L556 PolarHBondContact O-N 2.84Å; V553-A557 VanDerWaalsContact O-CB 3.23Å; V553-A557 WeakPolarHBondContact O-CB 3.4Å; V553-A557 PolarHBondContact O-N 3.49Å |
| 554 | V | 80.3 | Confident | 77.1 | Confident | 78 Ų | 78 | 99.6 Ų | 99.6 | 47% | 0.473 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.3 | -43.5 | 175 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | V550 Y551 S558 | V550-V554 HydrophobicContact CG1-CG2 4.36Å; V550-V554 WeakPolarHBondContact O-CB 3.14Å; V550-V554 VanDerWaalsContact O-CG2 3.26Å; V550-V554 WeakPolarHBondContact O-CG2 3.12Å; V550-V554 PolarHBondContact O-N 2.89Å; Y551-V554 PolarHBondContact O-N 2.84Å; V554-S558 VanDerWaalsContact O-CB 3.28Å; V554-S558 WeakPolarHBondContact O-CB 3.35Å; V554-S558 PolarHBondContact O-N 2.92Å; V554-S558 PolarHBondContact O-OG 3.03Å |
| 555 | A | 81.1 | Confident | 78.9 | Confident | 52 Ų | 52 | 97 Ų | 97 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -44.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y551 L552 S558 V559 | Y551-A555 VanDerWaalsContact O-CB 3.25Å; Y551-A555 WeakPolarHBondContact O-CB 3.48Å; Y551-A555 PolarHBondContact O-N 3.12Å; L552-A555 PolarHBondContact O-N 2.96Å; A555-S558 PolarHBondContact O-N 3.29Å; A555-S558 VanDerWaalsContact O-N 3.15Å; A555-V559 WeakPolarHBondContact O-CG2 3.39Å; A555-V559 PolarHBondContact O-N 2.77Å |
| 556 | L | 87.8 | Confident | 80.6 | Confident | 120 Ų | 120 | 96.6 Ų | 96.6 | 63% | 0.628 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.9 | -38.4 | -179.8 | -153.1 | 159.1 | 0 | 0 | 0 | 111.3 | L552 V553 S560 | L552-L556 WeakPolarHBondContact O-CB 3.33Å; L552-L556 PolarHBondContact O-N 2.86Å; V553-L556 PolarHBondContact O-N 2.84Å; L556-S560 WeakPolarHBondContact O-CB 3.11Å; L556-S560 PolarHBondContact O-N 3.37Å; L556-S560 PolarHBondContact O-OG 3.49Å |
| 557 | A | 83.8 | Confident | 82 | Confident | 53 Ų | 53 | 94.4 Ų | 94.4 | 44% | 0.438 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V553 S560 S561 | V553-A557 VanDerWaalsContact O-CB 3.23Å; V553-A557 WeakPolarHBondContact O-CB 3.4Å; V553-A557 PolarHBondContact O-N 3.49Å; A557-S560 WeakPolarHBondContact CA-OG 3.47Å; A557-S560 PolarHBondContact O-OG 2.79Å; A557-S561 WeakPolarHBondContact O-CB 3.34Å; A557-S561 PolarHBondContact O-N 3.48Å |
| 558 | S | 84.8 | Confident | 83.2 | Confident | 59 Ų | 59 | 95.8 Ų | 95.8 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.9 | -44.7 | 178.8 | -61.1 | 0 | 0 | 0 | 0 | 112 | V554 A555 S561 L562 | V554-S558 VanDerWaalsContact O-CB 3.28Å; V554-S558 WeakPolarHBondContact O-CB 3.35Å; V554-S558 PolarHBondContact O-N 2.92Å; V554-S558 PolarHBondContact O-OG 3.03Å; A555-S558 PolarHBondContact O-N 3.29Å; A555-S558 VanDerWaalsContact O-N 3.15Å; S558-S561 PolarHBondContact O-N 3.3Å; S558-L562 WeakPolarHBondContact O-CB 3.29Å; S558-L562 WeakPolarHBondContact O-CG 3.31Å; S558-L562 PolarHBondContact O-N 2.93Å |
| 559 | V | 89.2 | Confident | 84.4 | Confident | 100 Ų | 100 | 94.1 Ų | 94.1 | 61% | 0.606 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 177.5 | 172 | 0 | 0 | 0 | 0 | 111.1 | A555 L562 F563 | A555-V559 WeakPolarHBondContact O-CG2 3.39Å; A555-V559 PolarHBondContact O-N 2.77Å; V559-L562 PolarHBondContact O-N 2.88Å; V559-F563 WeakPolarHBondContact O-CB 3.43Å; V559-F563 PolarHBondContact O-N 3.49Å |
| 560 | S | 86.9 | Confident | 85.1 | Confident | 63 Ų | 63 | 96.8 Ų | 96.8 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | L556 A557 L564 | L556-S560 WeakPolarHBondContact O-CB 3.11Å; L556-S560 PolarHBondContact O-N 3.37Å; L556-S560 PolarHBondContact O-OG 3.49Å; A557-S560 WeakPolarHBondContact CA-OG 3.47Å; A557-S560 PolarHBondContact O-OG 2.79Å; S560-L564 WeakPolarHBondContact O-CB 3.34Å; S560-L564 PolarHBondContact O-N 3.39Å |
| 561 | S | 86.4 | Confident | 85.8 | Confident | 76 Ų | 76 | 96.7 Ų | 96.7 | 53% | 0.531 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | A557 S558 F563 L564 F565 | A557-S561 WeakPolarHBondContact O-CB 3.34Å; A557-S561 PolarHBondContact O-N 3.48Å; S558-S561 PolarHBondContact O-N 3.3Å; S561-F563 PolarHBondContact O-N 2.9Å; S561-L564 PolarHBondContact O-N 3.05Å; S561-F565 VanDerWaalsContact O-CB 3.3Å; S561-F565 WeakPolarHBondContact O-CB 3.3Å; S561-F565 PolarHBondContact O-N 2.86Å |
| 562 | L | 89.3 | Confident | 86.1 | Confident | 120 Ų | 120 | 90.6 Ų | 90.6 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 175 | -79 | 165 | 0 | 0 | 0 | 112.1 | S558 V559 F565 S566 | S558-L562 WeakPolarHBondContact O-CB 3.29Å; S558-L562 WeakPolarHBondContact O-CG 3.31Å; S558-L562 PolarHBondContact O-N 2.93Å; V559-L562 PolarHBondContact O-N 2.88Å; L562-F565 PolarHBondContact O-N 3.24Å; L562-S566 WeakPolarHBondContact O-CB 3.4Å; L562-S566 PolarHBondContact O-N 2.85Å; L562-S566 PolarHBondContact O-OG 3.18Å |
| 563 | F | 89.5 | Confident | 86.3 | Confident | 144 Ų | 144 | 88.2 Ų | 88.2 | 63% | 0.632 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -50.3 | 173.1 | -177.7 | -101.5 | 0 | 0 | 0 | 111 | V559 S561 F565 S566 V567 | V559-F563 WeakPolarHBondContact O-CB 3.43Å; V559-F563 PolarHBondContact O-N 3.49Å; S561-F563 PolarHBondContact O-N 2.9Å; F563-F565 VanDerWaalsContact C-N 3.34Å; F563-F565 PolarHBondContact O-N 3.42Å; F563-S566 PolarHBondContact O-N 2.84Å; F563-S566 PolarHBondContact O-OG 2.92Å; F563-V567 HydrophobicContact CD1-CG2 4.41Å; F563-V567 HydrophobicContact CE1-CG2 4.04Å; F563-V567 HydrophobicContact CE2-CG2 4.4Å; F563-V567 HydrophobicContact CZ-CG2 4.04Å; F563-V567 WeakPolarHBondContact O-CG2 3.34Å; F563-V567 PolarHBondContact O-N 2.73Å |
| 564 | L | 88.9 | Confident | 86.2 | Confident | 109 Ų | 109 | 91.8 Ų | 91.8 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 179.1 | -167.3 | 132.1 | 0 | 0 | 0 | 112.4 | S560 S561 V567 L568 | S560-L564 WeakPolarHBondContact O-CB 3.34Å; S560-L564 PolarHBondContact O-N 3.39Å; S561-L564 PolarHBondContact O-N 3.05Å; L564-V567 PolarHBondContact O-N 3.17Å; L564-L568 HydrophobicContact CD2-CD1 3.69Å; L564-L568 HydrophobicContact CD2-CG 4.41Å; L564-L568 WeakPolarHBondContact O-CB 3.36Å; L564-L568 VanDerWaalsContact O-CG 3.31Å; L564-L568 WeakPolarHBondContact O-CG 3.4Å; L564-L568 PolarHBondContact O-N 3.15Å |
| 565 | F | 89.6 | Confident | 86.1 | Confident | 130 Ų | 130 | 93.1 Ų | 93.1 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 174.4 | -174.4 | -94 | 0 | 0 | 0 | 112.2 | S561 L562 F563 L568 L569 | S561-F565 VanDerWaalsContact O-CB 3.3Å; S561-F565 WeakPolarHBondContact O-CB 3.3Å; S561-F565 PolarHBondContact O-N 2.86Å; L562-F565 PolarHBondContact O-N 3.24Å; F563-F565 VanDerWaalsContact C-N 3.34Å; F563-F565 PolarHBondContact O-N 3.42Å; F565-L568 PolarHBondContact O-N 2.82Å; F565-L569 VanDerWaalsContact O-CB 3.29Å; F565-L569 WeakPolarHBondContact O-CB 3.43Å; F565-L569 PolarHBondContact O-N 2.71Å |
| 566 | S | 85.4 | Confident | 85.8 | Confident | 60 Ų | 60 | 94.3 Ų | 94.3 | 42% | 0.42 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -34.7 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | L562 F563 L569 F570 | L562-S566 WeakPolarHBondContact O-CB 3.4Å; L562-S566 PolarHBondContact O-N 2.85Å; L562-S566 PolarHBondContact O-OG 3.18Å; F563-S566 PolarHBondContact O-N 2.84Å; F563-S566 PolarHBondContact O-OG 2.92Å; S566-L569 PolarHBondContact O-N 3.01Å; S566-F570 WeakPolarHBondContact O-CB 3.28Å; S566-F570 PolarHBondContact O-N 3.37Å |
| 567 | V | 88.7 | Confident | 85 | Confident | 67 Ų | 67 | 97.8 Ų | 97.8 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 169.9 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | F563 L564 F570 V571 | F563-V567 HydrophobicContact CD1-CG2 4.41Å; F563-V567 HydrophobicContact CE1-CG2 4.04Å; F563-V567 HydrophobicContact CE2-CG2 4.4Å; F563-V567 HydrophobicContact CZ-CG2 4.04Å; F563-V567 WeakPolarHBondContact O-CG2 3.34Å; F563-V567 PolarHBondContact O-N 2.73Å; L564-V567 PolarHBondContact O-N 3.17Å; V567-F570 PolarHBondContact O-N 2.9Å; V567-V571 WeakPolarHBondContact O-CG2 3.36Å; V567-V571 PolarHBondContact O-N 3.45Å |
| 568 | L | 89.6 | Confident | 84.1 | Confident | 101 Ų | 101 | 105 Ų | 105 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 175.5 | -75 | 173.3 | 0 | 0 | 0 | 112.1 | L564 F565 V571 A572 | L564-L568 HydrophobicContact CD2-CD1 3.69Å; L564-L568 HydrophobicContact CD2-CG 4.41Å; L564-L568 WeakPolarHBondContact O-CB 3.36Å; L564-L568 VanDerWaalsContact O-CG 3.31Å; L564-L568 WeakPolarHBondContact O-CG 3.4Å; L564-L568 PolarHBondContact O-N 3.15Å; F565-L568 PolarHBondContact O-N 2.82Å; L568-V571 PolarHBondContact O-N 2.93Å; L568-A572 VanDerWaalsContact O-CB 3.29Å; L568-A572 WeakPolarHBondContact O-CB 3.25Å; L568-A572 PolarHBondContact O-N 3.36Å |
| 569 | L | 88.8 | Confident | 82.9 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.6 | -170.6 | 78.5 | 0 | 0 | 0 | 110.8 | F565 S566 A572 V573 | F565-L569 VanDerWaalsContact O-CB 3.29Å; F565-L569 WeakPolarHBondContact O-CB 3.43Å; F565-L569 PolarHBondContact O-N 2.71Å; S566-L569 PolarHBondContact O-N 3.01Å; L569-A572 PolarHBondContact O-N 2.83Å; L569-V573 WeakPolarHBondContact O-CB 3.11Å; L569-V573 VanDerWaalsContact O-CG2 3.27Å; L569-V573 WeakPolarHBondContact O-CG2 3.23Å; L569-V573 PolarHBondContact O-N 3.14Å |
| 570 | F | 86.7 | Confident | 81.3 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 175.9 | 179.6 | -97.7 | 0 | 0 | 0 | 111.7 | S566 V567 V573 R574 | S566-F570 WeakPolarHBondContact O-CB 3.28Å; S566-F570 PolarHBondContact O-N 3.37Å; V567-F570 PolarHBondContact O-N 2.9Å; F570-V573 PolarHBondContact O-N 3.46Å; F570-R574 WeakPolarHBondContact O-CB 3.38Å; F570-R574 PolarHBondContact O-N 2.9Å |
| 571 | V | 86.4 | Confident | 79.7 | Confident | 70 Ų | 70 | 111.5 Ų | 111.5 | 42% | 0.424 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.1 | -45.6 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | V567 L568 R574 L575 | V567-V571 WeakPolarHBondContact O-CG2 3.36Å; V567-V571 PolarHBondContact O-N 3.45Å; L568-V571 PolarHBondContact O-N 2.93Å; V571-R574 PolarHBondContact O-N 3.43Å; V571-L575 HydrophobicContact CG1-CD1 3.93Å; V571-L575 HydrophobicContact CG1-CG 4.43Å; V571-L575 WeakPolarHBondContact O-CG 3.36Å; V571-L575 PolarHBondContact O-N 3.45Å |
| 572 | A | 83.2 | Confident | 78 | Confident | 45 Ų | 45 | 112.1 Ų | 112.1 | 37% | 0.372 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.9 | -44.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L568 L569 R574 L575 C576 | L568-A572 VanDerWaalsContact O-CB 3.29Å; L568-A572 WeakPolarHBondContact O-CB 3.25Å; L568-A572 PolarHBondContact O-N 3.36Å; L569-A572 PolarHBondContact O-N 2.83Å; A572-R574 VanDerWaalsContact C-N 3.31Å; A572-R574 PolarHBondContact O-N 2.89Å; A572-L575 PolarHBondContact O-N 2.81Å; A572-C576 VanDerWaalsContact O-CB 3.31Å; A572-C576 WeakPolarHBondContact O-CB 2.9Å; A572-C576 PolarHBondContact O-N 3.21Å; A572-C576 PolarHBondContact O-SG 3.47Å; A572-C576 VanDerWaalsContact O-SG 3.33Å |
| 573 | V | 84.8 | Confident | 76.1 | Confident | 73 Ų | 73 | 111.3 Ų | 111.3 | 44% | 0.442 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62 | -38.1 | 173.9 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | L569 F570 R577 | L569-V573 WeakPolarHBondContact O-CB 3.11Å; L569-V573 VanDerWaalsContact O-CG2 3.27Å; L569-V573 WeakPolarHBondContact O-CG2 3.23Å; L569-V573 PolarHBondContact O-N 3.14Å; F570-V573 PolarHBondContact O-N 3.46Å; V573-R577 WeakPolarHBondContact O-CB 3.26Å; V573-R577 PolarHBondContact O-N 2.68Å |
| 574 | R | 78.6 | Confident | 73.9 | Confident | 178 Ų | 178 | 110.8 Ų | 110.8 | 67% | 0.672 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.6 | -40.6 | 175.8 | -136.6 | 177.7 | -173.2 | -159.9 | 2 | 111.9 | F570 V571 A572 R578 | F570-R574 WeakPolarHBondContact O-CB 3.38Å; F570-R574 PolarHBondContact O-N 2.9Å; V571-R574 PolarHBondContact O-N 3.43Å; A572-R574 VanDerWaalsContact C-N 3.31Å; A572-R574 PolarHBondContact O-N 2.89Å; R574-R578 WeakPolarHBondContact O-CB 3.46Å; R574-R578 PolarHBondContact O-N 3.35Å |
| 575 | L | 78.1 | Confident | 71.3 | Confident | 106 Ų | 106 | 109 Ų | 109 | 56% | 0.555 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.4 | -44.3 | 175.1 | -70.3 | 169.9 | 0 | 0 | 0 | 111.8 | V571 A572 R577 R578 S579 | V571-L575 HydrophobicContact CG1-CD1 3.93Å; V571-L575 HydrophobicContact CG1-CG 4.43Å; V571-L575 WeakPolarHBondContact O-CG 3.36Å; V571-L575 PolarHBondContact O-N 3.45Å; A572-L575 PolarHBondContact O-N 2.81Å; L575-R577 PolarHBondContact O-N 2.87Å; L575-R578 CarbonylContact O-C 3.53Å; L575-R578 WeakPolarHBondContact O-CA 3.37Å; L575-R578 PolarHBondContact O-N 3.07Å; L575-R578 VanDerWaalsContact O-N 3.1Å; L575-S579 PolarHBondContact O-N 2.99Å; L575-S579 PolarHBondContact O-OG 3.35Å |
| 576 | C | 75.7 | Confident | 68.7 | Low | 77 Ų | 77 | 113.6 Ų | 113.6 | 52% | 0.52 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.3 | -32.2 | 176 | -71.6 | 0 | 0 | 0 | 0 | 113.1 | A572 S579 R580 | A572-C576 VanDerWaalsContact O-CB 3.31Å; A572-C576 WeakPolarHBondContact O-CB 2.9Å; A572-C576 PolarHBondContact O-N 3.21Å; A572-C576 PolarHBondContact O-SG 3.47Å; A572-C576 VanDerWaalsContact O-SG 3.33Å; C576-S579 WeakPolarHBondContact CA-OG 3.13Å; C576-S579 PolarHBondContact O-OG 3.16Å; C576-R580 WeakPolarHBondContact O-CB 3.32Å; C576-R580 PolarHBondContact O-N 2.85Å |
| 577 | R | 70.8 | Confident | 66.1 | Low | 194 Ų | 194 | 121.9 Ų | 121.9 | 73% | 0.732 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.8 | -41.5 | 167 | -86.7 | -176.7 | 155.9 | 179.5 | -6.9 | 111.3 | V573 L575 S579 R580 A581 | V573-R577 WeakPolarHBondContact O-CB 3.26Å; V573-R577 PolarHBondContact O-N 2.68Å; L575-R577 PolarHBondContact O-N 2.87Å; R577-S579 PolarHBondContact O-N 3.39Å; R577-R580 PolarHBondContact O-N 3.24Å; R577-A581 VanDerWaalsContact O-CB 3.29Å; R577-A581 WeakPolarHBondContact O-CB 3.41Å; R577-A581 PolarHBondContact O-N 2.96Å |
| 578 | R | 64.2 | Low | 63.3 | Low | 205 Ų | 205 | 123.7 Ų | 123.7 | 77% | 0.774 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.6 | -30.2 | 179.3 | -158.1 | 173.3 | -170.1 | 178.9 | 2.5 | 113.1 | R574 L575 | R574-R578 WeakPolarHBondContact O-CB 3.46Å; R574-R578 PolarHBondContact O-N 3.35Å; L575-R578 CarbonylContact O-C 3.53Å; L575-R578 WeakPolarHBondContact O-CA 3.37Å; L575-R578 PolarHBondContact O-N 3.07Å; L575-R578 VanDerWaalsContact O-N 3.1Å |
| 579 | S | 59.3 | Low | 60.5 | Low | 71 Ų | 71 | 125.2 Ų | 125.2 | 50% | 0.497 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -81 | -39 | 172.5 | 63.7 | 0 | 0 | 0 | 0 | 113 | L575 C576 R577 A581 A582 | L575-S579 PolarHBondContact O-N 2.99Å; L575-S579 PolarHBondContact O-OG 3.35Å; C576-S579 WeakPolarHBondContact CA-OG 3.13Å; C576-S579 PolarHBondContact O-OG 3.16Å; R577-S579 PolarHBondContact O-N 3.39Å; S579-A581 VanDerWaalsContact C-N 3.31Å; S579-A581 PolarHBondContact O-N 3.05Å; S579-A582 PolarHBondContact O-N 2.78Å; S579-A582 VanDerWaalsContact O-N 3.1Å |
| 580 | R | 56.4 | Low | 58 | Low | 198 Ų | 198 | 126.3 Ų | 126.3 | 75% | 0.747 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -60.1 | -40.3 | 171.1 | -87 | -175.8 | 159.8 | -178.6 | -6 | 112.2 | C576 R577 A582 S583 V584 | C576-R580 WeakPolarHBondContact O-CB 3.32Å; C576-R580 PolarHBondContact O-N 2.85Å; R577-R580 PolarHBondContact O-N 3.24Å; R580-A582 PolarHBondContact O-N 2.99Å; R580-A582 VanDerWaalsContact O-N 3.17Å; R580-S583 PolarHBondContact O-N 2.67Å; R580-S583 VanDerWaalsContact O-N 3.11Å; R580-V584 PolarHBondContact O-N 2.75Å |
| 581 | A | 52.4 | Low | 55.3 | Low | 88 Ų | 88 | 129.3 Ų | 129.3 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -15.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R577 S579 | R577-A581 VanDerWaalsContact O-CB 3.29Å; R577-A581 WeakPolarHBondContact O-CB 3.41Å; R577-A581 PolarHBondContact O-N 2.96Å; S579-A581 VanDerWaalsContact C-N 3.31Å; S579-A581 PolarHBondContact O-N 3.05Å |
| 582 | A | 51.2 | Low | 52.6 | Low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -0.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S579 R580 | S579-A582 PolarHBondContact O-N 2.78Å; S579-A582 VanDerWaalsContact O-N 3.1Å; R580-A582 PolarHBondContact O-N 2.99Å; R580-A582 VanDerWaalsContact O-N 3.17Å |
| 583 | S | 50.3 | Low | 50.3 | Low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | -17.3 | -169.2 | -164.3 | 0 | 0 | 0 | 0 | 114.5 | R580 | R580-S583 PolarHBondContact O-N 2.67Å; R580-S583 VanDerWaalsContact O-N 3.11Å |
| 584 | V | 43.7 | Very low | 47.6 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | -102.9 | 84.8 | 179.5 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | R580 | R580-V584 PolarHBondContact O-N 2.75Š| ||
| 585 | G | 34.6 | Very low | 45.7 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | -141.7 | 48.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 586 | R | 33.4 | Very low | 43.3 | Very low | 228 Ų | 228 | 135.4 Ų | 135.4 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -171.7 | 110.4 | 162.7 | -108.2 | 168.3 | -166.8 | -165.4 | 3.1 | 111.6 | ||||
| 587 | Y | 31 | Very low | 41.2 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | trans | 173.6 | 161.9 | 130.3 | -87.4 | -60.1 | 0 | 0 | 0 | 107.7 | ||||
| 588 | S | 30.8 | Very low | 39.3 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -137 | -178.9 | -155.7 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 589 | V | 29.4 | Very low | 37.9 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 86.6 | 132.9 | 170.1 | -172.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 590 | P | 36.8 | Very low | 36.3 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -130.4 | -166.5 | -27.7 | 38.4 | -19.6 | 0 | 0 | 0 | 113.1 | ||||
| 591 | E | 29.5 | Very low | 35.1 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -89.4 | 156.7 | -176.7 | -66 | 154.5 | 106.5 | 0 | 0 | 115 | ||||
| 592 | G | 29.6 | Very low | 33.8 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -154.6 | 117.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 593 | P | 35.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -94.9 | 139 | -162.5 | 34.2 | -35 | 0 | 0 | 0 | 114.9 | ||||
| 594 | F | 29.1 | Very low | 31.7 | Very low | 206 Ų | 206 | 136.9 Ų | 136.9 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -126.6 | 141.9 | 149.3 | -91.1 | -86.4 | 0 | 0 | 0 | 109 | ||||
| 595 | P | 38.1 | Very low | 31 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -79 | 133.2 | -168.4 | 31.1 | -34.6 | 0 | 0 | 0 | 111.9 | ||||
| 596 | G | 28.1 | Very low | 30.8 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -103.8 | 148.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 597 | H | 31.2 | Very low | 30.6 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -155 | 115.9 | 134.8 | -140.7 | -76.5 | 0 | 0 | 0 | 111.1 | ||||
| 598 | L | 29.5 | Very low | 30.5 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -136.8 | 131.5 | 158.3 | -119.4 | 170.9 | 0 | 0 | 0 | 106.3 | ||||
| 599 | V | 34.9 | Very low | 30.5 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 66% | 0.655 | 81% | 0.809 | S | S | * | * | trans | -82 | 136.2 | -163.8 | 178.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 600 | D | 26.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -72.8 | 128.6 | 171.1 | 175 | 30.8 | 0 | 0 | 0 | 111.4 | ||||
| 601 | V | 30.4 | Very low | 30 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -140.2 | 112.9 | 156.1 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 602 | S | 26.3 | Very low | 29.8 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 133.5 | 170.5 | 49 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 603 | G | 28.8 | Very low | 29.7 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -164.6 | 117.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 604 | T | 28.6 | Very low | 29.2 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -91.6 | 131.7 | -178.6 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 605 | G | 28.8 | Very low | 29.2 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 164.5 | 117.1 | 162 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 606 | T | 30.7 | Very low | 28.8 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | 44.1 | 121.4 | 147.2 | 52 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 607 | L | 28.6 | Very low | 28.9 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -64.1 | 133.1 | 164.4 | -78.3 | 156.6 | 0 | 0 | 0 | 112.6 | ||||
| 608 | S | 28.6 | Very low | 28.9 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -155.1 | 116.6 | 148.7 | -169.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 609 | Q | 30.9 | Very low | 28.9 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -114.3 | 93.4 | 173.8 | -79.8 | -171.6 | -22.6 | 0 | 0 | 109.4 | ||||
| 610 | S | 28.1 | Very low | 28.5 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | -85.4 | 126.3 | 164.4 | 54 | 0 | 0 | 0 | 0 | 109.7 | Q612 | S610-Q612 PolarHBondContact O-N 3.2Š| ||
| 611 | Y | 27.6 | Very low | 28.6 | Very low | 214 Ų | 214 | 137 Ų | 137 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -57.7 | 134.7 | 170.4 | -77.7 | -96.7 | 0 | 0 | 0 | 111.1 | ||||
| 612 | Q | 25.5 | Very low | 28.6 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -148.7 | 109.1 | 158.7 | -138.6 | 172.9 | 19.3 | 0 | 0 | 111.2 | S610 | S610-Q612 PolarHBondContact O-N 3.2Š| ||
| 613 | Y | 26.9 | Very low | 28.9 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -64.1 | 144.2 | 165 | -77.3 | -98.5 | 0 | 0 | 0 | 109.5 | ||||
| 614 | K | 26 | Very low | 28.9 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | trans | -123.4 | 108.6 | 168.8 | -155.1 | 169.9 | -171.8 | 177.9 | 0 | 110.7 | ||||
| 615 | V | 27.9 | Very low | 28.9 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | trans | -63.3 | 130.6 | 173.9 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | L617 | V615-L617 HydrophobicContact CG1-CG 4.43Š| ||
| 616 | C | 29.9 | Very low | 29 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 86% | 0.858 | 82% | 0.824 | S | S | * | * | trans | -91.1 | 109.5 | 165.9 | -69.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 617 | L | 30.7 | Very low | 28.9 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -79.4 | 146.2 | 171.5 | -78.6 | 166.7 | 0 | 0 | 0 | 110.7 | V615 | V615-L617 HydrophobicContact CG1-CG 4.43Š| ||
| 618 | T | 31.6 | Very low | 29 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -78.8 | 147.3 | 174.3 | 38.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 619 | G | 28.6 | Very low | 29 | Very low | 82 Ų | 82 | 155.7 Ų | 155.7 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | 174.7 | 114.4 | 173 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 620 | G | 28 | Very low | 29 | Very low | 79 Ų | 79 | 156.2 Ų | 156.2 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -138.4 | 166 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 621 | S | 28.5 | Very low | 29.1 | Very low | 95 Ų | 95 | 157.3 Ų | 157.3 | 66% | 0.664 | 83% | 0.826 | S | S | * | * | trans | -159.9 | 151 | 142.3 | -147.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 622 | E | 30.5 | Very low | 29.2 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | 32.6 | 114.4 | 148.5 | -65.2 | 154.3 | 138 | 0 | 0 | 120.2 | ||||
| 623 | T | 32.5 | Very low | 29.5 | Very low | 148 Ų | 148 | 154.4 Ų | 154.4 | 91% | 0.908 | 83% | 0.826 | S | S | * | * | -165.3 | 153.5 | 99.7 | 16.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 624 | N | 28 | Very low | 29.7 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -88.8 | 145.8 | 178.6 | -70.9 | -47.2 | 0 | 0 | 0 | 111.6 | ||||
| 625 | E | 29.6 | Very low | 29.8 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | -160.7 | 149.9 | 122.7 | -120.2 | -176.5 | -143.6 | 0 | 0 | 112.6 | |||||
| 626 | F | 30.4 | Very low | 30.4 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -91.2 | 145.8 | 178.7 | -90.4 | -106 | 0 | 0 | 0 | 111.9 | ||||
| 627 | K | 29.4 | Very low | 30.7 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -157.4 | 119.4 | 147.2 | -106.2 | 140.7 | -166.2 | 158.3 | 0 | 112.2 | ||||
| 628 | F | 29.8 | Very low | 31.4 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 77% | 0.772 | 82% | 0.818 | S | S | * | * | trans | -83.8 | 143.5 | 164.7 | -88.7 | -94.8 | 0 | 0 | 0 | 110.1 | ||||
| 629 | L | 27.8 | Very low | 31.4 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -137.7 | 147.4 | 150.2 | -77.8 | -179.7 | 0 | 0 | 0 | 109.9 | ||||
| 630 | K | 31.4 | Very low | 31.4 | Very low | 194 Ų | 194 | 149.8 Ų | 149.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -97.6 | 164.6 | 178.7 | -101.8 | -173.8 | 174.4 | -177.1 | 0 | 110.8 | ||||
| 631 | P | 30.2 | Very low | 31.6 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -71.1 | 160.5 | -175.1 | 30.5 | -36.8 | 0 | 0 | 0 | 113.2 | ||||
| 632 | I | 30.5 | Very low | 31.7 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -112.6 | 129.2 | 178.4 | -63.6 | 173.7 | 0 | 0 | 0 | 109 | ||||
| 633 | M | 30.9 | Very low | 31.7 | Very low | 179 Ų | 179 | 155 Ų | 155 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -89 | 138.7 | 162.3 | -73.6 | 178.2 | 166.4 | 0 | 0 | 109.7 | ||||
| 634 | P | 31.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 154.6 Ų | 154.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -80.4 | 145.3 | 166.7 | 33.6 | -32.5 | 0 | 0 | 0 | 110.8 | ||||
| 635 | N | 27.8 | Very low | 31.6 | Very low | 143 Ų | 143 | 155.2 Ų | 155.2 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -142.9 | 147.9 | 176.1 | -146.7 | 26.6 | 0 | 0 | 0 | 109.9 | ||||
| 636 | F | 39.8 | Very low | 31.5 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -25.1 | 164.7 | -174.6 | -54.7 | -83.4 | 0 | 0 | 0 | 121.5 | ||||
| 637 | P | 37.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -135.7 | 171.1 | 113.9 | 29.6 | -12.8 | 0 | 0 | 0 | 115.1 | |||||
| 638 | P | 45.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 152.6 Ų | 152.6 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -128.8 | 178.4 | -153 | 43.8 | -30.6 | 0 | 0 | 0 | 116.4 | ||||
| 639 | Q | 31.2 | Very low | 32.2 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -160.6 | 149.8 | 148.1 | -122.9 | 169.4 | -8 | 0 | 0 | 114 | ||||
| 640 | G | 28.3 | Very low | 32.3 | Very low | 62 Ų | 62 | 147.1 Ų | 147.1 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | -114 | -164.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 641 | T | 32.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | cis | -165.2 | 159.8 | 9 | -30.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 642 | E | 31.5 | Very low | 32.3 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | trans | 66.9 | 151.8 | 165.7 | -56.2 | -169.5 | 102.1 | 0 | 0 | 116.7 | ||||
| 643 | R | 30.2 | Very low | 32.4 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | cis | -160.3 | -164.3 | -9.5 | -120.8 | -165 | -103.1 | 159.7 | 3.5 | 109 | ||||
| 644 | E | 28.8 | Very low | 32.5 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | cis | -144.2 | -77 | 12.8 | -167.9 | 98 | -128.6 | 0 | 0 | 114.2 | ||||
| 645 | M | 27.9 | Very low | 32.8 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -156 | -179.5 | -162 | -88.7 | -171.1 | 167.5 | 0 | 0 | 114.4 | ||||
| 646 | E | 28.1 | Very low | 34 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 70.5 | 149.1 | 169.1 | -73.8 | 178.1 | -175.7 | 0 | 0 | 117.4 | ||||
| 647 | E | 28.2 | Very low | 34 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -157.3 | 176.7 | -28.4 | -136.4 | -174.6 | -169.4 | 0 | 0 | 108.4 | ||||
| 648 | T | 31.4 | Very low | 34.1 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -104.4 | 160 | 169.6 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 649 | P | 45.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | -152.2 | 146.7 | 107.1 | 37.4 | -20.3 | 0 | 0 | 0 | 117.6 | |||||
| 650 | T | 29.6 | Very low | 33.6 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | 50.2 | 126 | 142.8 | 62.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 651 | S | 29.7 | Very low | 33.9 | Very low | 130 Ų | 130 | 155.4 Ų | 155.4 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | -128.6 | 161.3 | 128 | 74.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 652 | R | 30.9 | Very low | 34 | Very low | 221 Ų | 221 | 157 Ų | 157 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -143.6 | 135.9 | -157.3 | -165.7 | -177.6 | -170 | -177.1 | 5.4 | 113.3 | ||||
| 653 | N | 33.5 | Very low | 34.2 | Very low | 145 Ų | 145 | 157.7 Ų | 157.7 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | trans | 37.4 | 124.1 | 159 | -62.4 | 14.2 | 0 | 0 | 0 | 120.7 | ||||
| 654 | S | 32.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -157.5 | 99 | 132.7 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 655 | F | 38.8 | Very low | 34.8 | Very low | 209 Ų | 209 | 157.8 Ų | 157.8 | 92% | 0.917 | 85% | 0.852 | S | S | * | * | trans | -76 | 147.8 | 143 | -86.2 | -84.6 | 0 | 0 | 0 | 107.4 | ||||
| 656 | P | 53.3 | Low | 35.4 | Very low | 110 Ų | 110 | 156.9 Ų | 156.9 | 71% | 0.714 | 85% | 0.853 | S | S | * | * | -146.7 | 164.6 | 86.7 | 32.8 | -12.7 | 0 | 0 | 0 | 116.8 | |||||
| 657 | F | 39.2 | Very low | 36 | Very low | 203 Ų | 203 | 154.9 Ų | 154.9 | 89% | 0.89 | 85% | 0.854 | S | S | * | * | trans | 4 | 126.3 | 155.8 | -60 | -83.9 | 0 | 0 | 0 | 119.8 | ||||
| 658 | S | 39.4 | Very low | 36.7 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 100% | 1.329 | 86% | 0.857 | S | S | * | * | -152.1 | 0 | 97.6 | -170.2 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 658 of 658 residues in 113.1 ms
(Link to these results)