| 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 | 51.8 | Low | 86.7 | Confident | 220 Ų | 220 | 71.9 Ų | 71.9 | 100% | 1.084 | 38% | 0.38 | S | S | * | . | 0 | 139.5 | 0 | -75.4 | -178.4 | -176.3 | 0 | 0 | 109.5 | R105 | M1-R105 PolarHBondContact O-NH2 2.91Š| |||
| 2 | A | 69.6 | Low | 87.5 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | trans | -56.3 | 151.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L431 | A2-L431 HydrophobicContact CB-CD1 4.5Š| ||
| 3 | F | 86 | Confident | 88.2 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -77.4 | -44 | -176.6 | -175.8 | -89 | 0 | 0 | 0 | 111.4 | H48 P103 R105 V202 | F3-H48 PolarHBondContact N-NE2 2.83Å; F3-P103 HydrophobicContact CB-CB 3.76Å; F3-P103 HydrophobicContact CB-CG 3.65Å; F3-P103 HydrophobicContact CD1-CB 4.27Å; F3-P103 HydrophobicContact CD2-CB 3.79Å; F3-P103 HydrophobicContact CD2-CG 4.28Å; F3-P103 HydrophobicContact CE2-CB 4.45Å; F3-P103 HydrophobicContact CG-CB 3.67Å; F3-P103 HydrophobicContact CG-CG 4.11Å; F3-R105 HydrophobicContact CD2-CG 3.89Å; F3-R105 HydrophobicContact CE2-CG 4.04Å; F3-V202 HydrophobicContact CD1-CG1 3.88Å; F3-V202 HydrophobicContact CE1-CB 4.34Å; F3-V202 HydrophobicContact CE1-CG1 3.42Å; F3-V202 VanDerWaalsContact CE1-CG1 3.42Å; F3-V202 HydrophobicContact CE1-CG2 4.01Å; F3-V202 HydrophobicContact CE2-CG1 4.24Å; F3-V202 HydrophobicContact CG-CG1 4.48Å; F3-V202 HydrophobicContact CZ-CB 4.44Å; F3-V202 HydrophobicContact CZ-CG1 3.61Å; F3-V202 HydrophobicContact CZ-CG2 3.88Å |
| 4 | F | 92.5 | Very high | 88.7 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -96.4 | 151.6 | 171.5 | -59.1 | -54.9 | 0 | 0 | 0 | 110.8 | S47 H48 L125 V170 V202 Y203 M335 | F4-S47 WeakPolarHBondContact CD2-O 3.44Å; F4-H48 PolarHBondContact N-NE2 2.82Å; F4-H48 VanDerWaalsContact N-NE2 3.2Å; F4-H48 PolarHBondContact O-CE1 3.15Å; F4-H48 VanDerWaalsContact O-CE1 3.3Å; F4-L125 HydrophobicContact CE2-CD1 3.99Å; F4-L125 HydrophobicContact CE2-CD2 4.08Å; F4-L125 HydrophobicContact CZ-CD1 4.03Å; F4-L125 HydrophobicContact CZ-CD2 3.76Å; F4-V170 HydrophobicContact CD1-CG1 3.66Å; F4-V170 HydrophobicContact CE1-CG1 3.43Å; F4-V170 VanDerWaalsContact CE1-CG1 3.43Å; F4-V202 HydrophobicContact CZ-CG1 4.32Å; F4-Y203 HydrophobicContact CD2-CE2 4.38Å; F4-Y203 HydrophobicContact CE2-CD2 4.28Å; F4-Y203 AromaticContact CE2-CE2 3.5Å; F4-Y203 HydrophobicContact CE2-CE2 3.5Å; F4-Y203 VanDerWaalsContact CE2-CE2 3.5Å; F4-Y203 HydrophobicContact CZ-CE2 4.06Å; F4-M335 HydrophobicContact CD1-SD 4.03Å; F4-M335 HydrophobicContact CE1-SD 4.3Å; F4-M335 HydrophobicContact CG-SD 4.19Å |
| 5 | P | 89.9 | Confident | 89.1 | Confident | 88 Ų | 88 | 69.5 Ų | 69.5 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 172.8 | 168.4 | 30.6 | -35.5 | 0 | 0 | 0 | 110.8 | S47 | P5-S47 VanDerWaalsContact O-CB 3.22Å; P5-S47 WeakPolarHBondContact O-CB 3.37Å; P5-S47 PolarHBondContact O-OG 3.33Å |
| 6 | K | 93.6 | Very high | 89.6 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 156.3 | 169.2 | 68.5 | 170 | -179.2 | 173.7 | 0 | 110.9 | S8 E14 L43 R44 | K6-S8 PolarHBondContact O-N 2.74Å; K6-E14 IonicContact NZ-OE1 2.74Å; K6-E14 PolarHBondContact NZ-OE1 3.45Å; K6-L43 WeakPolarHBondContact CA-O 3.41Å; K6-L43 HydrophobicContact CB-CB 3.97Å; K6-L43 HydrophobicContact CD-CB 4.25Å; K6-L43 HydrophobicContact CD-CD1 4.02Å; K6-R44 HydrophobicContact CB-CG 4.05Å |
| 7 | I | 95.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -56 | 135.6 | 175.4 | -174.6 | 169.4 | 0 | 0 | 0 | 110 | F9 L43 L46 S47 N334 M335 | I7-F9 HydrophobicContact CB-CE2 4.49Å; I7-F9 HydrophobicContact CD1-CE1 3.89Å; I7-F9 HydrophobicContact CD1-CE2 4.47Å; I7-F9 HydrophobicContact CD1-CZ 3.73Å; I7-F9 HydrophobicContact CG1-CE1 4.29Å; I7-F9 HydrophobicContact CG1-CE2 4.43Å; I7-F9 HydrophobicContact CG1-CZ 4.12Å; I7-F9 HydrophobicContact CG2-CD2 4.03Å; I7-F9 HydrophobicContact CG2-CE2 3.36Å; I7-F9 HydrophobicContact CG2-CZ 3.67Å; I7-L43 HydrophobicContact CG2-CB 4.27Å; I7-L43 HydrophobicContact CG2-CD2 3.96Å; I7-L43 PolarHBondContact N-O 2.75Å; I7-L46 HydrophobicContact CB-CB 4.3Å; I7-L46 HydrophobicContact CD1-CB 4.38Å; I7-L46 HydrophobicContact CG2-CB 4.18Å; I7-L46 HydrophobicContact CG2-CD1 4.08Å; I7-S47 WeakPolarHBondContact CA-OG 3.41Å; I7-S47 PolarHBondContact N-OG 3.48Å; I7-N334 WeakPolarHBondContact CB-O 3.29Å; I7-N334 HydrophobicContact CD1-CB 3.94Å; I7-N334 WeakPolarHBondContact CD1-O 3.46Å; I7-N334 WeakPolarHBondContact CG1-O 3.26Å; I7-M335 WeakPolarHBondContact CA-O 3.29Å |
| 8 | S | 93.1 | Very high | 90.2 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 126 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | K6 M335 A336 Y337 | K6-S8 PolarHBondContact O-N 2.74Å; S8-M335 PolarHBondContact N-O 2.75Å; S8-A336 WeakPolarHBondContact O-CA 3.47Å; S8-Y337 PolarHBondContact O-N 2.77Å |
| 9 | F | 94.1 | Very high | 90.5 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 162 | 173.1 | -68.9 | -63.6 | 0 | 0 | 0 | 110.4 | I7 V13 E14 L17 L43 M329 Y337 | I7-F9 HydrophobicContact CB-CE2 4.49Å; I7-F9 HydrophobicContact CD1-CE1 3.89Å; I7-F9 HydrophobicContact CD1-CE2 4.47Å; I7-F9 HydrophobicContact CD1-CZ 3.73Å; I7-F9 HydrophobicContact CG1-CE1 4.29Å; I7-F9 HydrophobicContact CG1-CE2 4.43Å; I7-F9 HydrophobicContact CG1-CZ 4.12Å; I7-F9 HydrophobicContact CG2-CD2 4.03Å; I7-F9 HydrophobicContact CG2-CE2 3.36Å; I7-F9 HydrophobicContact CG2-CZ 3.67Å; F9-V13 HydrophobicContact CB-CB 4.35Å; F9-V13 HydrophobicContact CB-CG1 4.35Å; F9-V13 HydrophobicContact CD1-CG1 3.97Å; F9-V13 HydrophobicContact CG-CG1 4.27Å; F9-E14 HydrophobicContact CB-CB 4.1Å; F9-L17 HydrophobicContact CD2-CD1 4.32Å; F9-L17 HydrophobicContact CE1-CD1 4.31Å; F9-L17 HydrophobicContact CE2-CD1 3.84Å; F9-L17 HydrophobicContact CZ-CD1 3.87Å; F9-L43 HydrophobicContact CD2-CD2 4.38Å; F9-L43 HydrophobicContact CE2-CD2 3.65Å; F9-M329 HydrophobicContact CE1-CE 4.1Å; F9-Y337 AromaticContact CD1-CD1 3.84Å; F9-Y337 HydrophobicContact CD1-CD1 3.84Å; F9-Y337 HydrophobicContact CD1-CG 4.06Å; F9-Y337 AromaticContact CE1-CD1 3.83Å; F9-Y337 HydrophobicContact CE1-CD1 3.83Å; F9-Y337 AromaticContact CE1-CG 3.81Å; F9-Y337 HydrophobicContact CE1-CG 3.81Å |
| 10 | Q | 94.1 | Very high | 90.7 | Very high | 73 Ų | 73 | 63.2 Ų | 63.2 | 34% | 0.341 | 32% | 0.321 | S | S | . | . | trans | -63.1 | 146.8 | 159.7 | -61.2 | -168.5 | 13.3 | 0 | 0 | 109.9 | E12 V13 E14 S338 | Q10-E12 VanDerWaalsContact C-N 3.34Å; Q10-E12 PolarHBondContact O-N 3.17Å; Q10-V13 HydrophobicContact CB-CG2 4.3Å; Q10-V13 WeakPolarHBondContact O-CB 3.21Å; Q10-V13 PolarHBondContact O-N 2.98Å; Q10-E14 PolarHBondContact O-N 2.69Å; Q10-S338 PolarHBondContact NE2-O 2.93Å | ||
| 11 | H | 94.3 | Very high | 91 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 67% | 0.667 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -53.4 | -47 | -174.4 | -177.7 | 62.4 | 0 | 0 | 0 | 113.4 | V13 E14 E15 | H11-V13 VanDerWaalsContact C-N 3.28Å; H11-V13 PolarHBondContact O-N 2.98Å; H11-E14 PolarHBondContact O-N 3.28Å; H11-E15 PolarHBondContact O-N 2.92Å |
| 12 | E | 96.1 | Very high | 93 | Very high | 115 Ų | 115 | 55 Ų | 55 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -34.3 | 179.6 | -61.1 | 178.9 | 178.5 | 0 | 0 | 112.8 | Q10 H16 L341 | Q10-E12 VanDerWaalsContact C-N 3.34Å; Q10-E12 PolarHBondContact O-N 3.17Å; E12-H16 WeakPolarHBondContact O-CB 3.41Å; E12-H16 PolarHBondContact O-N 3.24Å; E12-L341 HydrophobicContact CB-CB 4.37Å |
| 13 | V | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.6 | -44.4 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | F9 Q10 H11 E15 H16 L17 M329 W339 L341 V344 | F9-V13 HydrophobicContact CB-CB 4.35Å; F9-V13 HydrophobicContact CB-CG1 4.35Å; F9-V13 HydrophobicContact CD1-CG1 3.97Å; F9-V13 HydrophobicContact CG-CG1 4.27Å; Q10-V13 HydrophobicContact CB-CG2 4.3Å; Q10-V13 WeakPolarHBondContact O-CB 3.21Å; Q10-V13 PolarHBondContact O-N 2.98Å; H11-V13 VanDerWaalsContact C-N 3.28Å; H11-V13 PolarHBondContact O-N 2.98Å; V13-E15 VanDerWaalsContact C-N 3.34Å; V13-E15 PolarHBondContact O-N 3.42Å; V13-H16 PolarHBondContact O-N 3.13Å; V13-L17 HydrophobicContact CG1-CD1 4.07Å; V13-L17 HydrophobicContact CG1-CG 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.36Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 3.04Å; V13-M329 HydrophobicContact CG1-CE 3.55Å; V13-W339 WeakPolarHBondContact CG2-O 3.45Å; V13-L341 HydrophobicContact CG2-CB 4.19Å; V13-V344 HydrophobicContact CG1-CG2 4.33Å; V13-V344 HydrophobicContact CG2-CG2 4.37Å |
| 14 | E | 94.9 | Very high | 94.8 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 177.4 | -168.7 | 170.8 | -178.7 | 0 | 0 | 111.7 | K6 F9 Q10 H11 S18 Y39 | K6-E14 IonicContact NZ-OE1 2.74Å; K6-E14 PolarHBondContact NZ-OE1 3.45Å; F9-E14 HydrophobicContact CB-CB 4.1Å; Q10-E14 PolarHBondContact O-N 2.69Å; H11-E14 PolarHBondContact O-N 3.28Å; E14-S18 VanDerWaalsContact O-CB 3.25Å; E14-S18 WeakPolarHBondContact O-CB 3.5Å; E14-S18 PolarHBondContact O-N 3.38Å; E14-Y39 PolarHBondContact O-OH 3.05Å |
| 15 | E | 95.5 | Very high | 94.9 | Very high | 90 Ų | 90 | 58.3 Ų | 58.3 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.8 | -165.9 | -165 | 158.6 | 0 | 0 | 111.5 | H11 V13 S18 K19 | H11-E15 PolarHBondContact O-N 2.92Å; V13-E15 VanDerWaalsContact C-N 3.34Å; V13-E15 PolarHBondContact O-N 3.42Å; E15-S18 PolarHBondContact O-N 3.33Å; E15-K19 WeakPolarHBondContact O-CG 3.44Å; E15-K19 PolarHBondContact O-N 2.96Å; E15-K19 VanDerWaalsContact O-N 3.1Å; E15-K19 VanDerWaalsContact OE1-CE 3.27Å; E15-K19 WeakPolarHBondContact OE1-CE 3.32Å; E15-K19 IonicContact OE1-NZ 2.78Å; E15-K19 PolarHBondContact OE1-NZ 2.84Å |
| 16 | H | 96 | Very high | 95.1 | Very high | 51 Ų | 51 | 55 Ų | 55 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -50.9 | 176.3 | 176.2 | 73 | 0 | 0 | 0 | 111.7 | E12 V13 S18 K19 V20 L341 | E12-H16 WeakPolarHBondContact O-CB 3.41Å; E12-H16 PolarHBondContact O-N 3.24Å; V13-H16 PolarHBondContact O-N 3.13Å; H16-S18 VanDerWaalsContact C-N 3.32Å; H16-S18 PolarHBondContact O-N 3.42Å; H16-K19 WeakPolarHBondContact O-CB 3.44Å; H16-K19 PolarHBondContact O-N 2.95Å; H16-K19 VanDerWaalsContact O-N 3.16Å; H16-V20 WeakPolarHBondContact O-CG2 3.11Å; H16-V20 PolarHBondContact O-N 3.27Å; H16-V20 VanDerWaalsContact O-N 3.09Å; H16-L341 HydrophobicContact CB-CD1 3.57Å; H16-L341 HydrophobicContact CB-CD2 4.38Å; H16-L341 VanDerWaalsContact CG-CD1 3.48Å |
| 17 | L | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.8 | -69.6 | 176.8 | 0 | 0 | 0 | 111.3 | F9 V13 K19 V20 F21 Y39 M329 T376 | F9-L17 HydrophobicContact CD2-CD1 4.32Å; F9-L17 HydrophobicContact CE1-CD1 4.31Å; F9-L17 HydrophobicContact CE2-CD1 3.84Å; F9-L17 HydrophobicContact CZ-CD1 3.87Å; V13-L17 HydrophobicContact CG1-CD1 4.07Å; V13-L17 HydrophobicContact CG1-CG 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.36Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 3.04Å; L17-K19 PolarHBondContact O-N 2.94Å; L17-V20 PolarHBondContact O-N 2.85Å; L17-V20 VanDerWaalsContact O-N 3.07Å; L17-F21 HydrophobicContact CD2-CE2 4.41Å; L17-F21 WeakPolarHBondContact O-CD2 3.48Å; L17-F21 PolarHBondContact O-N 3.16Å; L17-Y39 HydrophobicContact CB-CE2 4.07Å; L17-Y39 VanDerWaalsContact CB-OH 3.31Å; L17-Y39 WeakPolarHBondContact CB-OH 3.42Å; L17-M329 HydrophobicContact CD1-CE 3.93Å; L17-M329 HydrophobicContact CD1-SD 3.96Å; L17-M329 HydrophobicContact CD2-SD 3.93Å; L17-M329 HydrophobicContact CG-SD 4.47Å; L17-T376 HydrophobicContact CD2-CG2 4Å |
| 18 | S | 95.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 59.7 Ų | 59.7 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57 | -38.8 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | E14 E15 H16 R22 Y39 | E14-S18 VanDerWaalsContact O-CB 3.25Å; E14-S18 WeakPolarHBondContact O-CB 3.5Å; E14-S18 PolarHBondContact O-N 3.38Å; E15-S18 PolarHBondContact O-N 3.33Å; H16-S18 VanDerWaalsContact C-N 3.32Å; H16-S18 PolarHBondContact O-N 3.42Å; S18-R22 VanDerWaalsContact O-CB 3.23Å; S18-R22 WeakPolarHBondContact O-CB 3.35Å; S18-R22 WeakPolarHBondContact O-CD 3.47Å; S18-R22 VanDerWaalsContact O-CG 3.3Å; S18-R22 WeakPolarHBondContact O-CG 3.49Å; S18-R22 PolarHBondContact O-N 3.08Å; S18-Y39 PolarHBondContact N-OH 2.99Å |
| 19 | K | 95.2 | Very high | 95.2 | Very high | 124 Ų | 124 | 60.7 Ų | 60.7 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 175.6 | -69.9 | 170.6 | -174.4 | 167.3 | 0 | 111.8 | E15 H16 L17 R22 N23 | E15-K19 WeakPolarHBondContact O-CG 3.44Å; E15-K19 PolarHBondContact O-N 2.96Å; E15-K19 VanDerWaalsContact O-N 3.1Å; E15-K19 VanDerWaalsContact OE1-CE 3.27Å; E15-K19 WeakPolarHBondContact OE1-CE 3.32Å; E15-K19 IonicContact OE1-NZ 2.78Å; E15-K19 PolarHBondContact OE1-NZ 2.84Å; H16-K19 WeakPolarHBondContact O-CB 3.44Å; H16-K19 PolarHBondContact O-N 2.95Å; H16-K19 VanDerWaalsContact O-N 3.16Å; L17-K19 PolarHBondContact O-N 2.94Å; K19-R22 CarbonylContact O-C 3.25Å; K19-R22 VanDerWaalsContact O-C 3.25Å; K19-R22 PolarHBondContact O-N 2.63Å; K19-N23 PolarHBondContact O-N 3.18Å; K19-N23 VanDerWaalsContact O-N 3.08Å |
| 20 | V | 95.1 | Very high | 95.1 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 179.2 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | H16 L17 R22 N23 L377 M408 | H16-V20 WeakPolarHBondContact O-CG2 3.11Å; H16-V20 PolarHBondContact O-N 3.27Å; H16-V20 VanDerWaalsContact O-N 3.09Å; L17-V20 PolarHBondContact O-N 2.85Å; L17-V20 VanDerWaalsContact O-N 3.07Å; V20-R22 PolarHBondContact O-N 2.84Å; V20-N23 PolarHBondContact O-N 3.34Å; V20-N23 PolarHBondContact O-ND2 2.87Å; V20-L377 HydrophobicContact CG1-CB 3.57Å; V20-M408 HydrophobicContact CG1-CE 4.15Å |
| 21 | F | 95.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 60.5 Ų | 60.5 | 9% | 0.092 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.5 | -179.7 | -75.1 | -87.1 | 0 | 0 | 0 | 113.8 | L17 Y39 L42 I375 M408 | L17-F21 HydrophobicContact CD2-CE2 4.41Å; L17-F21 WeakPolarHBondContact O-CD2 3.48Å; L17-F21 PolarHBondContact O-N 3.16Å; F21-Y39 HydrophobicContact CB-CD2 3.65Å; F21-Y39 HydrophobicContact CB-CE2 4.35Å; F21-Y39 HydrophobicContact CB-CG 4.08Å; F21-Y39 AromaticContact CD2-CD2 3.85Å; F21-Y39 HydrophobicContact CD2-CD2 3.85Å; F21-Y39 AromaticContact CD2-CE2 3.9Å; F21-Y39 HydrophobicContact CD2-CE2 3.9Å; F21-Y39 AromaticContact CG-CD2 3.75Å; F21-Y39 HydrophobicContact CG-CD2 3.75Å; F21-Y39 HydrophobicContact CG-CE2 4.28Å; F21-L42 HydrophobicContact CD1-CD2 4.13Å; F21-L42 HydrophobicContact CE1-CD2 3.55Å; F21-L42 HydrophobicContact CE2-CD2 4.21Å; F21-L42 HydrophobicContact CZ-CD2 3.6Å; F21-I375 HydrophobicContact CE2-CD1 4.16Å; F21-I375 HydrophobicContact CZ-CB 4.08Å; F21-I375 HydrophobicContact CZ-CD1 3.96Å; F21-I375 HydrophobicContact CZ-CG1 4.21Å; F21-I375 VanDerWaalsContact CZ-O 3.29Å; F21-I375 WeakPolarHBondContact CZ-O 3.25Å; F21-M408 HydrophobicContact CD1-CE 4.45Å; F21-M408 HydrophobicContact CD1-SD 3.77Å; F21-M408 HydrophobicContact CE1-CE 4.27Å; F21-M408 HydrophobicContact CE1-SD 3.69Å |
| 22 | R | 95.3 | Very high | 95.3 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 33.6 | 175.2 | -62.3 | 171.3 | 53.2 | -170.2 | -9.6 | 111 | S18 K19 V20 I27 A35 E36 | S18-R22 VanDerWaalsContact O-CB 3.23Å; S18-R22 WeakPolarHBondContact O-CB 3.35Å; S18-R22 WeakPolarHBondContact O-CD 3.47Å; S18-R22 VanDerWaalsContact O-CG 3.3Å; S18-R22 WeakPolarHBondContact O-CG 3.49Å; S18-R22 PolarHBondContact O-N 3.08Å; K19-R22 CarbonylContact O-C 3.25Å; K19-R22 VanDerWaalsContact O-C 3.25Å; K19-R22 PolarHBondContact O-N 2.63Å; V20-R22 PolarHBondContact O-N 2.84Å; R22-I27 HydrophobicContact CB-CD1 4.21Å; R22-I27 HydrophobicContact CB-CG1 4.46Å; R22-I27 WeakPolarHBondContact O-CD1 3.44Å; R22-A35 HydrophobicContact CG-CB 4.33Å; R22-E36 WeakPolarHBondContact CD-OE2 3.31Å; R22-E36 IonicContact CZ-OE2 2.73Å; R22-E36 IonicContact NE-OE2 2.66Å; R22-E36 PolarHBondContact NE-OE2 2.93Å; R22-E36 IonicContact NH1-OE2 3.48Å; R22-E36 PolarHBondContact NH1-OE2 2.9Å |
| 23 | N | 96 | Very high | 95.3 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | trans | -62.9 | 161.5 | 174.5 | 70.5 | 68.1 | 0 | 0 | 0 | 110.7 | K19 V20 E25 L26 I27 R409 G410 | K19-N23 PolarHBondContact O-N 3.18Å; K19-N23 VanDerWaalsContact O-N 3.08Å; V20-N23 PolarHBondContact O-N 3.34Å; V20-N23 PolarHBondContact O-ND2 2.87Å; N23-E25 VanDerWaalsContact C-N 3.3Å; N23-E25 PolarHBondContact O-N 3Å; N23-E25 WeakPolarHBondContact OD1-CB 3.23Å; N23-E25 PolarHBondContact OD1-N 2.83Å; N23-E25 VanDerWaalsContact OD1-N 3.13Å; N23-L26 WeakPolarHBondContact ND2-CD1 3.4Å; N23-L26 PolarHBondContact O-N 2.7Å; N23-L26 PolarHBondContact OD1-N 3.3Å; N23-I27 PolarHBondContact O-N 3.26Å; N23-R409 PolarHBondContact ND2-O 3.12Å; N23-G410 WeakPolarHBondContact OD1-CA 3.36Å | ||
| 24 | S | 95.6 | Very high | 95.2 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.4 | -39.4 | -174.3 | 47.6 | 0 | 0 | 0 | 0 | 113 | I27 T28 | S24-I27 PolarHBondContact O-N 2.71Å; S24-T28 WeakPolarHBondContact O-CB 3.35Å; S24-T28 PolarHBondContact O-N 3.38Å; S24-T28 PolarHBondContact O-OG1 2.82Å |
| 25 | E | 95.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 29% | 0.29 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 179.4 | -63.2 | -179.9 | -149.4 | 0 | 0 | 111.9 | N23 T28 D29 R409 G410 G412 | N23-E25 VanDerWaalsContact C-N 3.3Å; N23-E25 PolarHBondContact O-N 3Å; N23-E25 WeakPolarHBondContact OD1-CB 3.23Å; N23-E25 PolarHBondContact OD1-N 2.83Å; N23-E25 VanDerWaalsContact OD1-N 3.13Å; E25-T28 PolarHBondContact O-N 3.39Å; E25-D29 WeakPolarHBondContact O-CB 3.3Å; E25-D29 PolarHBondContact O-N 2.93Å; E25-D29 VanDerWaalsContact O-N 3.07Å; E25-R409 HydrophobicContact CB-CB 3.9Å; E25-G410 PolarHBondContact OE2-N 3Å; E25-G412 PolarHBondContact OE1-N 3.28Å |
| 26 | L | 93.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 176 | -76 | 176.6 | 0 | 0 | 0 | 112.2 | N23 T28 D29 L30 M408 R409 | N23-L26 WeakPolarHBondContact ND2-CD1 3.4Å; N23-L26 PolarHBondContact O-N 2.7Å; N23-L26 PolarHBondContact OD1-N 3.3Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-T28 PolarHBondContact O-N 3.18Å; L26-D29 PolarHBondContact O-N 2.89Å; L26-L30 HydrophobicContact CD2-CD1 4.34Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 2.9Å; L26-M408 HydrophobicContact CD1-CG 3.9Å; L26-M408 HydrophobicContact CD1-SD 3.92Å; L26-M408 HydrophobicContact CD2-CG 4.06Å; L26-M408 HydrophobicContact CG-CG 4.4Å; L26-R409 HydrophobicContact CD2-CB 3.97Å; L26-R409 HydrophobicContact CG-CB 4.26Å |
| 27 | I | 95.6 | Very high | 95.2 | Very high | 51 Ų | 51 | 60 Ų | 60 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177 | -71.5 | 178.7 | 0 | 0 | 0 | 110.6 | R22 N23 S24 D29 G31 T32 | R22-I27 HydrophobicContact CB-CD1 4.21Å; R22-I27 HydrophobicContact CB-CG1 4.46Å; R22-I27 WeakPolarHBondContact O-CD1 3.44Å; N23-I27 PolarHBondContact O-N 3.26Å; S24-I27 PolarHBondContact O-N 2.71Å; I27-D29 VanDerWaalsContact C-N 3.31Å; I27-D29 PolarHBondContact O-N 3.21Å; I27-G31 WeakPolarHBondContact O-CA 3.27Å; I27-G31 PolarHBondContact O-N 2.88Å; I27-T32 WeakPolarHBondContact CG2-OG1 3.07Å |
| 28 | T | 95.8 | Very high | 95.1 | Very high | 125 Ų | 125 | 65.5 Ų | 65.5 | 77% | 0.767 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.5 | -36.7 | 176.8 | -64 | 0 | 0 | 0 | 0 | 112 | S24 E25 L26 | S24-T28 WeakPolarHBondContact O-CB 3.35Å; S24-T28 PolarHBondContact O-N 3.38Å; S24-T28 PolarHBondContact O-OG1 2.82Å; E25-T28 PolarHBondContact O-N 3.39Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-T28 PolarHBondContact O-N 3.18Å |
| 29 | D | 92.4 | Very high | 95.1 | Very high | 85 Ų | 85 | 64.5 Ų | 64.5 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -80 | -43.1 | -177.5 | -163.8 | 44.4 | 0 | 0 | 0 | 113.4 | E25 L26 I27 R409 | E25-D29 WeakPolarHBondContact O-CB 3.3Å; E25-D29 PolarHBondContact O-N 2.93Å; E25-D29 VanDerWaalsContact O-N 3.07Å; L26-D29 PolarHBondContact O-N 2.89Å; I27-D29 VanDerWaalsContact C-N 3.31Å; I27-D29 PolarHBondContact O-N 3.21Å; D29-R409 VanDerWaalsContact CG-NE 3.32Å; D29-R409 IonicContact OD1-CZ 2.71Å; D29-R409 IonicContact OD1-NE 2.64Å; D29-R409 IonicContact OD1-NH2 3.43Å; D29-R409 PolarHBondContact OD1-NH2 2.86Å; D29-R409 IonicContact OD2-CZ 3.4Å; D29-R409 IonicContact OD2-NE 2.66Å; D29-R409 PolarHBondContact OD2-NE 2.72Å; D29-R409 IonicContact OD2-NH2 3.56Å; D29-R409 PolarHBondContact OD2-NH2 3.49Å |
| 30 | L | 93.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 61 Ų | 61 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -105.5 | -23.4 | -172 | -59 | 177 | 0 | 0 | 0 | 113.7 | L26 E34 | L26-L30 HydrophobicContact CD2-CD1 4.34Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 2.9Å; L30-E34 HydrophobicContact CB-CB 4.27Å; L30-E34 HydrophobicContact CB-CG 4.14Å; L30-E34 WeakPolarHBondContact O-CB 3.34Å |
| 31 | G | 96.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 32% | 0.32 | 33% | 0.326 | S | S | . | . | trans | 83.7 | 153 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I27 Q33 E34 A35 | I27-G31 WeakPolarHBondContact O-CA 3.27Å; I27-G31 PolarHBondContact O-N 2.88Å; G31-Q33 PolarHBondContact O-N 2.82Å; G31-E34 PolarHBondContact O-N 2.79Å; G31-A35 PolarHBondContact O-N 3.19Å; G31-A35 VanDerWaalsContact O-N 3.11Å | ||
| 32 | T | 95.4 | Very high | 95.1 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | -174.4 | -50.8 | 0 | 0 | 0 | 0 | 113.6 | I27 E36 | I27-T32 WeakPolarHBondContact CG2-OG1 3.07Å; T32-E36 WeakPolarHBondContact O-CB 3.47Å; T32-E36 PolarHBondContact O-N 3.1Å; T32-E36 VanDerWaalsContact O-N 3.12Å |
| 33 | Q | 95.5 | Very high | 95.1 | Very high | 175 Ų | 175 | 56.3 Ų | 56.3 | 82% | 0.818 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.8 | -42.6 | -176.7 | -70.2 | -177.3 | -10.2 | 0 | 0 | 112 | G31 E36 S37 | G31-Q33 PolarHBondContact O-N 2.82Å; Q33-E36 PolarHBondContact O-N 3.38Å; Q33-S37 WeakPolarHBondContact O-CB 3.27Å; Q33-S37 PolarHBondContact O-N 3.26Å |
| 34 | E | 95.1 | Very high | 95.1 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 179.1 | -179.8 | 59.1 | -163.9 | 0 | 0 | 111.2 | L30 G31 E36 S37 R38 | L30-E34 HydrophobicContact CB-CB 4.27Å; L30-E34 HydrophobicContact CB-CG 4.14Å; L30-E34 WeakPolarHBondContact O-CB 3.34Å; G31-E34 PolarHBondContact O-N 2.79Å; E34-E36 VanDerWaalsContact C-N 3.35Å; E34-E36 PolarHBondContact O-N 2.98Å; E34-S37 WeakPolarHBondContact O-CB 3.38Å; E34-S37 PolarHBondContact O-N 3.38Å; E34-R38 WeakPolarHBondContact O-CG 3.49Å; E34-R38 PolarHBondContact O-N 3.05Å; E34-R38 IonicContact OE1-CZ 3.55Å; E34-R38 IonicContact OE1-NE 3.61Å; E34-R38 PolarHBondContact OE1-NE 3.05Å; E34-R38 IonicContact OE1-NH2 3.38Å; E34-R38 PolarHBondContact OE1-NH2 3.29Å |
| 35 | A | 94.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R22 G31 Y39 | R22-A35 HydrophobicContact CG-CB 4.33Å; G31-A35 PolarHBondContact O-N 3.19Å; G31-A35 VanDerWaalsContact O-N 3.11Å; A35-Y39 WeakPolarHBondContact O-CB 3.33Å; A35-Y39 PolarHBondContact O-N 3.01Å |
| 36 | E | 95.4 | Very high | 95.2 | Very high | 51 Ų | 51 | 53.5 Ų | 53.5 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 174.8 | -178.1 | 62.1 | -142.1 | 0 | 0 | 111.8 | R22 T32 Q33 E34 R38 Y39 Q40 | R22-E36 WeakPolarHBondContact CD-OE2 3.31Å; R22-E36 IonicContact CZ-OE2 2.73Å; R22-E36 IonicContact NE-OE2 2.66Å; R22-E36 PolarHBondContact NE-OE2 2.93Å; R22-E36 IonicContact NH1-OE2 3.48Å; R22-E36 PolarHBondContact NH1-OE2 2.9Å; T32-E36 WeakPolarHBondContact O-CB 3.47Å; T32-E36 PolarHBondContact O-N 3.1Å; T32-E36 VanDerWaalsContact O-N 3.12Å; Q33-E36 PolarHBondContact O-N 3.38Å; E34-E36 VanDerWaalsContact C-N 3.35Å; E34-E36 PolarHBondContact O-N 2.98Å; E36-R38 PolarHBondContact O-N 3.31Å; E36-Y39 PolarHBondContact O-N 2.93Å; E36-Q40 HydrophobicContact CG-CG 4.48Å; E36-Q40 WeakPolarHBondContact O-CG 3.49Å; E36-Q40 PolarHBondContact O-N 3.3Å; E36-Q40 VanDerWaalsContact OE1-CG 3.31Å; E36-Q40 WeakPolarHBondContact OE1-CG 3.33Å; E36-Q40 PolarHBondContact OE1-NE2 3.09Å |
| 37 | S | 95 | Very high | 95.4 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 177.9 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | Q33 E34 Q40 S41 | Q33-S37 WeakPolarHBondContact O-CB 3.27Å; Q33-S37 PolarHBondContact O-N 3.26Å; E34-S37 WeakPolarHBondContact O-CB 3.38Å; E34-S37 PolarHBondContact O-N 3.38Å; S37-Q40 PolarHBondContact O-N 3.36Å; S37-S41 WeakPolarHBondContact O-CB 3.44Å; S37-S41 PolarHBondContact O-N 2.96Å |
| 38 | R | 94.4 | Very high | 95.4 | Very high | 114 Ų | 114 | 50.5 Ų | 50.5 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.1 | -71.4 | -174.8 | -173.9 | -163.7 | 2.2 | 112 | E34 E36 Q40 S41 L42 | E34-R38 WeakPolarHBondContact O-CG 3.49Å; E34-R38 PolarHBondContact O-N 3.05Å; E34-R38 IonicContact OE1-CZ 3.55Å; E34-R38 IonicContact OE1-NE 3.61Å; E34-R38 PolarHBondContact OE1-NE 3.05Å; E34-R38 IonicContact OE1-NH2 3.38Å; E34-R38 PolarHBondContact OE1-NH2 3.29Å; E36-R38 PolarHBondContact O-N 3.31Å; R38-Q40 PolarHBondContact O-N 2.97Å; R38-S41 WeakPolarHBondContact O-CA 3.37Å; R38-S41 VanDerWaalsContact O-CB 3.29Å; R38-S41 WeakPolarHBondContact O-CB 3.29Å; R38-S41 PolarHBondContact O-N 3.11Å; R38-S41 VanDerWaalsContact O-N 3.12Å; R38-L42 PolarHBondContact O-N 3.41Å |
| 39 | Y | 95.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 176 | 179.4 | -121 | 0 | 0 | 0 | 111.8 | E14 L17 S18 F21 A35 E36 S41 L42 L43 | E14-Y39 PolarHBondContact O-OH 3.05Å; L17-Y39 HydrophobicContact CB-CE2 4.07Å; L17-Y39 VanDerWaalsContact CB-OH 3.31Å; L17-Y39 WeakPolarHBondContact CB-OH 3.42Å; S18-Y39 PolarHBondContact N-OH 2.99Å; F21-Y39 HydrophobicContact CB-CD2 3.65Å; F21-Y39 HydrophobicContact CB-CE2 4.35Å; F21-Y39 HydrophobicContact CB-CG 4.08Å; F21-Y39 AromaticContact CD2-CD2 3.85Å; F21-Y39 HydrophobicContact CD2-CD2 3.85Å; F21-Y39 AromaticContact CD2-CE2 3.9Å; F21-Y39 HydrophobicContact CD2-CE2 3.9Å; F21-Y39 AromaticContact CG-CD2 3.75Å; F21-Y39 HydrophobicContact CG-CD2 3.75Å; F21-Y39 HydrophobicContact CG-CE2 4.28Å; A35-Y39 WeakPolarHBondContact O-CB 3.33Å; A35-Y39 PolarHBondContact O-N 3.01Å; E36-Y39 PolarHBondContact O-N 2.93Å; Y39-S41 PolarHBondContact O-N 2.96Å; Y39-L42 WeakPolarHBondContact O-CB 3.28Å; Y39-L42 PolarHBondContact O-N 3.43Å; Y39-L43 HydrophobicContact CD1-CD1 4.45Å; Y39-L43 HydrophobicContact CD2-CG 4.46Å; Y39-L43 HydrophobicContact CE1-CD1 3.87Å; Y39-L43 HydrophobicContact CE1-CG 4.41Å; Y39-L43 HydrophobicContact CE2-CD1 4.36Å; Y39-L43 HydrophobicContact CE2-CD2 3.85Å; Y39-L43 HydrophobicContact CE2-CG 4.11Å; Y39-L43 WeakPolarHBondContact O-CG 3.36Å; Y39-L43 PolarHBondContact O-N 3.13Å |
| 40 | Q | 95.6 | Very high | 95.7 | Very high | 50 Ų | 50 | 41 Ų | 41 | 23% | 0.234 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -29.5 | 175.7 | -65.7 | -57.2 | -34.4 | 0 | 0 | 112.7 | E36 S37 R38 R44 | E36-Q40 HydrophobicContact CG-CG 4.48Å; E36-Q40 WeakPolarHBondContact O-CG 3.49Å; E36-Q40 PolarHBondContact O-N 3.3Å; E36-Q40 VanDerWaalsContact OE1-CG 3.31Å; E36-Q40 WeakPolarHBondContact OE1-CG 3.33Å; E36-Q40 PolarHBondContact OE1-NE2 3.09Å; S37-Q40 PolarHBondContact O-N 3.36Å; R38-Q40 PolarHBondContact O-N 2.97Å; Q40-R44 WeakPolarHBondContact O-CG 3.4Å; Q40-R44 PolarHBondContact O-N 3.33Å; Q40-R44 PolarHBondContact O-NE 3.04Å |
| 41 | S | 95.1 | Very high | 95.8 | Very high | 28 Ų | 28 | 39 Ų | 39 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -50.5 | 171.9 | -166.9 | 0 | 0 | 0 | 0 | 110.7 | S37 R38 Y39 L43 R44 H45 | S37-S41 WeakPolarHBondContact O-CB 3.44Å; S37-S41 PolarHBondContact O-N 2.96Å; R38-S41 WeakPolarHBondContact O-CA 3.37Å; R38-S41 VanDerWaalsContact O-CB 3.29Å; R38-S41 WeakPolarHBondContact O-CB 3.29Å; R38-S41 PolarHBondContact O-N 3.11Å; R38-S41 VanDerWaalsContact O-N 3.12Å; Y39-S41 PolarHBondContact O-N 2.96Å; S41-L43 VanDerWaalsContact C-N 3.35Å; S41-L43 PolarHBondContact O-N 2.81Å; S41-R44 WeakPolarHBondContact O-CB 3.34Å; S41-R44 PolarHBondContact O-N 2.82Å; S41-H45 PolarHBondContact O-N 2.93Å; S41-H45 PolarHBondContact O-ND1 3.28Å; S41-H45 PolarHBondContact OG-CE1 2.82Å; S41-H45 PolarHBondContact OG-ND1 2.88Å |
| 42 | L | 96.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.6 | -50 | 176.2 | 175.2 | 60.7 | 0 | 0 | 0 | 111.9 | F21 R38 Y39 R44 H45 L46 I375 P426 | F21-L42 HydrophobicContact CD1-CD2 4.13Å; F21-L42 HydrophobicContact CE1-CD2 3.55Å; F21-L42 HydrophobicContact CE2-CD2 4.21Å; F21-L42 HydrophobicContact CZ-CD2 3.6Å; R38-L42 PolarHBondContact O-N 3.41Å; Y39-L42 WeakPolarHBondContact O-CB 3.28Å; Y39-L42 PolarHBondContact O-N 3.43Å; L42-R44 PolarHBondContact O-N 3.47Å; L42-H45 PolarHBondContact O-N 2.92Å; L42-H45 VanDerWaalsContact O-N 3.1Å; L42-L46 HydrophobicContact CD1-CD1 4.43Å; L42-L46 HydrophobicContact CD1-CD2 4.43Å; L42-L46 HydrophobicContact CD1-CG 4.21Å; L42-L46 HydrophobicContact CG-CD1 4.4Å; L42-L46 WeakPolarHBondContact O-CG 3.1Å; L42-L46 PolarHBondContact O-N 3.02Å; L42-I375 HydrophobicContact CD2-CD1 3.8Å; L42-I375 HydrophobicContact CG-CD1 4.35Å; L42-P426 HydrophobicContact CD1-CB 3.88Å; L42-P426 HydrophobicContact CD1-CG 3.78Å |
| 43 | L | 95.7 | Very high | 96 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -34.1 | 179 | -62.7 | -168.9 | 0 | 0 | 0 | 113.1 | K6 I7 F9 Y39 S41 | K6-L43 WeakPolarHBondContact CA-O 3.41Å; K6-L43 HydrophobicContact CB-CB 3.97Å; K6-L43 HydrophobicContact CD-CB 4.25Å; K6-L43 HydrophobicContact CD-CD1 4.02Å; I7-L43 HydrophobicContact CG2-CB 4.27Å; I7-L43 HydrophobicContact CG2-CD2 3.96Å; I7-L43 PolarHBondContact N-O 2.75Å; F9-L43 HydrophobicContact CD2-CD2 4.38Å; F9-L43 HydrophobicContact CE2-CD2 3.65Å; Y39-L43 HydrophobicContact CD1-CD1 4.45Å; Y39-L43 HydrophobicContact CD2-CG 4.46Å; Y39-L43 HydrophobicContact CE1-CD1 3.87Å; Y39-L43 HydrophobicContact CE1-CG 4.41Å; Y39-L43 HydrophobicContact CE2-CD1 4.36Å; Y39-L43 HydrophobicContact CE2-CD2 3.85Å; Y39-L43 HydrophobicContact CE2-CG 4.11Å; Y39-L43 WeakPolarHBondContact O-CG 3.36Å; Y39-L43 PolarHBondContact O-N 3.13Å; S41-L43 VanDerWaalsContact C-N 3.35Å; S41-L43 PolarHBondContact O-N 2.81Å |
| 44 | R | 95.2 | Very high | 96.1 | Very high | 115 Ų | 115 | 26.8 Ų | 26.8 | 43% | 0.434 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -73.8 | -41.4 | 176 | -73.8 | 177.6 | -82.2 | 170.7 | -4.9 | 111.9 | K6 Q40 S41 L42 L46 S47 H48 L431 | K6-R44 HydrophobicContact CB-CG 4.05Å; Q40-R44 WeakPolarHBondContact O-CG 3.4Å; Q40-R44 PolarHBondContact O-N 3.33Å; Q40-R44 PolarHBondContact O-NE 3.04Å; S41-R44 WeakPolarHBondContact O-CB 3.34Å; S41-R44 PolarHBondContact O-N 2.82Å; L42-R44 PolarHBondContact O-N 3.47Å; R44-L46 VanDerWaalsContact C-N 3.35Å; R44-L46 PolarHBondContact O-N 3.21Å; R44-S47 PolarHBondContact O-N 2.95Å; R44-H48 PolarHBondContact O-CE1 2.87Å; R44-H48 PolarHBondContact O-ND1 2.76Å; R44-L431 HydrophobicContact CB-CD1 4.48Å |
| 45 | H | 96.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.023 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.7 | -35.7 | -179.5 | -73.8 | 75.7 | 0 | 0 | 0 | 112.5 | S41 L42 S47 H48 R332 P426 V429 L431 | S41-H45 PolarHBondContact O-N 2.93Å; S41-H45 PolarHBondContact O-ND1 3.28Å; S41-H45 PolarHBondContact OG-CE1 2.82Å; S41-H45 PolarHBondContact OG-ND1 2.88Å; L42-H45 PolarHBondContact O-N 2.92Å; L42-H45 VanDerWaalsContact O-N 3.1Å; H45-S47 PolarHBondContact O-N 3.42Å; H45-S47 VanDerWaalsContact O-N 3.15Å; H45-H48 PolarHBondContact O-N 2.76Å; H45-R332 PolarHBondContact O-NE 3.36Å; H45-P426 HydrophobicContact CB-CB 3.96Å; H45-P426 WeakPolarHBondContact CB-O 3.45Å; H45-P426 PolarHBondContact CD2-O 3.24Å; H45-P426 VanDerWaalsContact CG-O 3.28Å; H45-V429 PolarHBondContact NE2-O 3.25Å; H45-L431 VanDerWaalsContact CD2-CD2 3.43Å; H45-L431 WeakPolarHBondContact CD2-CD2 3.2Å; H45-L431 VanDerWaalsContact CD2-CG 3.42Å; H45-L431 WeakPolarHBondContact CD2-CG 3.41Å; H45-L431 WeakPolarHBondContact NE2-CG 3.13Å; H45-L431 PolarHBondContact NE2-N 3.22Å |
| 46 | L | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.2 | -34.2 | -179.9 | -73.2 | 174.8 | 0 | 0 | 0 | 113 | I7 L42 R44 H48 M329 R332 P333 N334 I375 P426 | I7-L46 HydrophobicContact CB-CB 4.3Å; I7-L46 HydrophobicContact CD1-CB 4.38Å; I7-L46 HydrophobicContact CG2-CB 4.18Å; I7-L46 HydrophobicContact CG2-CD1 4.08Å; L42-L46 HydrophobicContact CD1-CD1 4.43Å; L42-L46 HydrophobicContact CD1-CD2 4.43Å; L42-L46 HydrophobicContact CD1-CG 4.21Å; L42-L46 HydrophobicContact CG-CD1 4.4Å; L42-L46 WeakPolarHBondContact O-CG 3.1Å; L42-L46 PolarHBondContact O-N 3.02Å; R44-L46 VanDerWaalsContact C-N 3.35Å; R44-L46 PolarHBondContact O-N 3.21Å; L46-H48 VanDerWaalsContact C-N 3.3Å; L46-H48 PolarHBondContact O-N 3.45Å; L46-M329 WeakPolarHBondContact CD2-O 3.48Å; L46-R332 HydrophobicContact CD2-CG 4.13Å; L46-P333 CarbonylContact O-C 3.57Å; L46-N334 CarbonylContact C-O 3.59Å; L46-N334 PolarHBondContact O-N 2.92Å; L46-I375 HydrophobicContact CD1-CD1 4.14Å; L46-P426 HydrophobicContact CD2-CG 4.09Å |
| 47 | S | 96.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -7.2 | 179.8 | -60.3 | 0 | 0 | 0 | 0 | 115.5 | F4 P5 I7 R44 H45 N334 | F4-S47 WeakPolarHBondContact CD2-O 3.44Å; P5-S47 VanDerWaalsContact O-CB 3.22Å; P5-S47 WeakPolarHBondContact O-CB 3.37Å; P5-S47 PolarHBondContact O-OG 3.33Å; I7-S47 WeakPolarHBondContact CA-OG 3.41Å; I7-S47 PolarHBondContact N-OG 3.48Å; R44-S47 PolarHBondContact O-N 2.95Å; H45-S47 PolarHBondContact O-N 3.42Å; H45-S47 VanDerWaalsContact O-N 3.15Å; S47-N334 WeakPolarHBondContact CA-O 3.12Å; S47-N334 PolarHBondContact N-O 2.92Å; S47-N334 PolarHBondContact OG-O 2.63Å |
| 48 | H | 96.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 3% | 0.028 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -106.7 | 141.1 | -178.5 | -64 | 69.7 | 0 | 0 | 0 | 109.9 | F3 F4 R44 H45 L46 Y203 R332 L431 | F3-H48 PolarHBondContact N-NE2 2.83Å; F4-H48 PolarHBondContact N-NE2 2.82Å; F4-H48 VanDerWaalsContact N-NE2 3.2Å; F4-H48 PolarHBondContact O-CE1 3.15Å; F4-H48 VanDerWaalsContact O-CE1 3.3Å; R44-H48 PolarHBondContact O-CE1 2.87Å; R44-H48 PolarHBondContact O-ND1 2.76Å; H45-H48 PolarHBondContact O-N 2.76Å; L46-H48 VanDerWaalsContact C-N 3.3Å; L46-H48 PolarHBondContact O-N 3.45Å; H48-Y203 PolarHBondContact CD2-OH 3.1Å; H48-Y203 VanDerWaalsContact CD2-OH 3.28Å; H48-R332 PolarHBondContact O-NE 3.1Å; H48-R332 PolarHBondContact O-NH2 3.1Å; H48-L431 HydrophobicContact CB-CD2 3.94Å |
| 49 | P | 96.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 3% | 0.026 | 8% | 0.075 | C | C | . | . | trans | -62.4 | 152.2 | 174.5 | 27.7 | -33.5 | 0 | 0 | 0 | 109.8 | Y203 R332 P333 | P49-Y203 HydrophobicContact CG-CD1 3.5Å; P49-Y203 HydrophobicContact CG-CD2 3.73Å; P49-Y203 HydrophobicContact CG-CE1 3.64Å; P49-Y203 HydrophobicContact CG-CE2 3.88Å; P49-Y203 HydrophobicContact CG-CG 3.54Å; P49-R332 PolarHBondContact O-NH2 3.27Å; P49-P333 HydrophobicContact CB-CB 4.47Å; P49-P333 HydrophobicContact CB-CG 4.21Å | ||
| 50 | P | 96.9 | Very high | 97 | Very high | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.039 | 9% | 0.09 | C | C | . | . | trans | -56.1 | 143.8 | 167.1 | -23.7 | 33.8 | 0 | 0 | 0 | 111.1 | F52 R332 D454 I456 | P50-F52 PolarHBondContact O-N 3.35Å; P50-R332 HydrophobicContact CG-CB 4.05Å; P50-D454 WeakPolarHBondContact CB-O 3.25Å; P50-I456 HydrophobicContact CG-CG2 4.26Å | ||
| 51 | A | 95.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 18.3 Ų | 18.3 | 11% | 0.107 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -63.4 | -10.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V100 L450 D454 | A51-V100 WeakPolarHBondContact O-CB 3.29Å; A51-V100 PolarHBondContact O-N 2.97Å; A51-L450 HydrophobicContact CB-CD2 4.31Å; A51-D454 HydrophobicContact CB-CB 4.32Å; A51-D454 WeakPolarHBondContact CB-OD2 3.29Å; A51-D454 PolarHBondContact N-OD2 2.99Å |
| 52 | F | 97.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 2% | 0.022 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.6 | 178.1 | -67.3 | -97.5 | 0 | 0 | 0 | 111.8 | P50 L87 L97 I98 P99 R126 M434 L447 L450 A451 | P50-F52 PolarHBondContact O-N 3.35Å; F52-L87 HydrophobicContact CE1-CD1 4.31Å; F52-L97 HydrophobicContact CD1-CB 4.01Å; F52-I98 WeakPolarHBondContact CA-O 3.32Å; F52-P99 HydrophobicContact CD1-CB 4.34Å; F52-P99 HydrophobicContact CD1-CG 4.33Å; F52-P99 HydrophobicContact CE1-CB 3.99Å; F52-P99 HydrophobicContact CE1-CG 3.83Å; F52-R126 PolarHBondContact O-NH1 2.78Å; F52-M434 HydrophobicContact CE2-CE 4.48Å; F52-M434 HydrophobicContact CZ-CE 4.2Å; F52-L447 HydrophobicContact CE1-CB 4.2Å; F52-L447 WeakPolarHBondContact CE2-O 3.13Å; F52-L447 HydrophobicContact CZ-CB 3.86Å; F52-L447 HydrophobicContact CZ-CD2 4.08Å; F52-L447 WeakPolarHBondContact CZ-O 3.23Å; F52-L450 HydrophobicContact CE2-CB 3.95Å; F52-L450 HydrophobicContact CE2-CD2 3.97Å; F52-L450 HydrophobicContact CE2-CG 3.87Å; F52-A451 HydrophobicContact CB-CB 4.24Å; F52-A451 HydrophobicContact CD1-CB 4.05Å; F52-A451 VanDerWaalsContact CD2-CA 3.46Å; F52-A451 HydrophobicContact CD2-CB 3.51Å; F52-A451 HydrophobicContact CE1-CB 4.29Å; F52-A451 HydrophobicContact CE2-CB 3.81Å; F52-A451 HydrophobicContact CG-CB 3.65Å; F52-A451 HydrophobicContact CZ-CB 4.2Å |
| 53 | T | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.9 | 157.9 | -62.4 | 0 | 0 | 0 | 0 | 108.1 | I98 F208 L218 | T53-I98 PolarHBondContact N-O 3.44Å; T53-I98 WeakPolarHBondContact O-CD1 3.44Å; T53-I98 PolarHBondContact O-N 3.29Å; T53-F208 HydrophobicContact CG2-CD2 4.32Å; T53-F208 HydrophobicContact CG2-CE2 3.49Å; T53-F208 VanDerWaalsContact CG2-CE2 3.49Å; T53-F208 HydrophobicContact CG2-CZ 4.06Å; T53-L218 HydrophobicContact CG2-CD2 3.85Å |
| 54 | T | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 21.7 Ų | 21.7 | 6% | 0.055 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.6 | 177 | -52.3 | 0 | 0 | 0 | 0 | 108.9 | I95 L97 Q219 L221 | T54-I95 HydrophobicContact CG2-CB 4.2Å; T54-I95 HydrophobicContact CG2-CD1 4.15Å; T54-I95 HydrophobicContact CG2-CG2 4.35Å; T54-L97 HydrophobicContact CG2-CD2 3.97Å; T54-Q219 CarbonylContact C-O 3.54Å; T54-Q219 VanDerWaalsContact CB-O 3.26Å; T54-Q219 WeakPolarHBondContact CB-O 3.35Å; T54-Q219 WeakPolarHBondContact CG2-O 3.47Å; T54-Q219 PolarHBondContact O-N 3.08Å; T54-Q219 VanDerWaalsContact O-O 3.12Å; T54-L221 HydrophobicContact CG2-CB 4.26Å |
| 55 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.2 | 169.5 | -65.5 | 0 | 0 | 0 | 0 | 109.9 | L71 I95 L96 I98 F208 L216 L218 | V55-L71 HydrophobicContact CG2-CD2 3.84Å; V55-I95 CarbonylContact O-C 3.49Å; V55-I95 VanDerWaalsContact O-CA 3.27Å; V55-I95 WeakPolarHBondContact O-CA 3.46Å; V55-L96 HydrophobicContact CG2-CB 3.73Å; V55-L96 HydrophobicContact CG2-CD1 4.46Å; V55-L96 PolarHBondContact N-O 3.22Å; V55-L96 PolarHBondContact O-N 2.76Å; V55-I98 HydrophobicContact CG1-CD1 4.48Å; V55-I98 HydrophobicContact CG2-CD1 3.98Å; V55-F208 HydrophobicContact CG1-CD1 3.96Å; V55-F208 HydrophobicContact CG1-CE1 3.4Å; V55-F208 HydrophobicContact CG1-CE2 4.24Å; V55-F208 HydrophobicContact CG1-CZ 3.54Å; V55-L216 HydrophobicContact CB-CD2 4.11Å; V55-L216 HydrophobicContact CG2-CD2 3.88Å; V55-L218 HydrophobicContact CG1-CD2 3.66Å; V55-L218 HydrophobicContact CG1-CG 4.41Å |
| 56 | R | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134 | 169.7 | -179.5 | 177.8 | 58.6 | 85.3 | -5.8 | 109.3 | D94 L216 F217 Q219 V224 G247 T250 | R56-D94 CarbonylContact C-O 3.55Å; R56-D94 WeakPolarHBondContact CA-O 3.36Å; R56-L216 WeakPolarHBondContact O-CA 3.44Å; R56-F217 PolarHBondContact N-O 3.22Å; R56-F217 PolarHBondContact O-N 3.46Å; R56-Q219 HydrophobicContact CB-CB 4.38Å; R56-V224 HydrophobicContact CB-CG2 4.22Å; R56-G247 PolarHBondContact NH2-O 3Å; R56-T250 PolarHBondContact NH2-OG1 2.94Å |
| 57 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 134.4 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | T59 V64 V67 D94 L96 H215 L216 | V57-T59 HydrophobicContact CB-CG2 4.44Å; V57-T59 HydrophobicContact CG1-CG2 4.23Å; V57-T59 PolarHBondContact O-N 3.46Å; V57-T59 VanDerWaalsContact O-N 3.08Å; V57-V64 HydrophobicContact CB-CG2 4.14Å; V57-V64 HydrophobicContact CG1-CG2 4.2Å; V57-V64 HydrophobicContact CG2-CG1 4.4Å; V57-V64 HydrophobicContact CG2-CG2 4.3Å; V57-V67 HydrophobicContact CG1-CB 4Å; V57-V67 HydrophobicContact CG1-CG1 4.27Å; V57-V67 HydrophobicContact CG1-CG2 3.8Å; V57-V67 HydrophobicContact CG2-CB 4.32Å; V57-V67 HydrophobicContact CG2-CG1 4.09Å; V57-D94 PolarHBondContact N-O 3.15Å; V57-L96 HydrophobicContact CG2-CD1 3.89Å; V57-L96 HydrophobicContact CG2-CG 3.94Å; V57-H215 WeakPolarHBondContact CA-O 3.29Å; V57-L216 HydrophobicContact CG2-CD2 4.43Å |
| 58 | N | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | trans | -78.1 | 86.2 | 168.8 | -175.6 | 11 | 0 | 0 | 0 | 109.9 | H60 L61 A62 S214 H215 L282 | N58-H60 PolarHBondContact O-N 3.33Å; N58-H60 VanDerWaalsContact O-N 3.16Å; N58-H60 WeakPolarHBondContact OD1-CB 3.43Å; N58-H60 PolarHBondContact OD1-N 3.19Å; N58-L61 WeakPolarHBondContact ND2-CD1 3.5Å; N58-L61 WeakPolarHBondContact ND2-CG 3.16Å; N58-L61 PolarHBondContact O-N 3.1Å; N58-L61 VanDerWaalsContact O-N 3.1Å; N58-A62 PolarHBondContact O-N 3.33Å; N58-S214 WeakPolarHBondContact CB-O 3.42Å; N58-S214 PolarHBondContact ND2-O 3.06Å; N58-H215 PolarHBondContact N-O 3.39Å; N58-L282 HydrophobicContact CB-CD2 4.17Å; N58-L282 PolarHBondContact ND2-O 3.24Å | ||
| 59 | T | 98.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 34% | 0.344 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.2 | -178.3 | 52.3 | 0 | 0 | 0 | 0 | 114 | V57 L61 A62 V64 D94 T254 | V57-T59 HydrophobicContact CB-CG2 4.44Å; V57-T59 HydrophobicContact CG1-CG2 4.23Å; V57-T59 PolarHBondContact O-N 3.46Å; V57-T59 VanDerWaalsContact O-N 3.08Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-A62 WeakPolarHBondContact CA-O 3.49Å; T59-V64 HydrophobicContact CG2-CG2 3.86Å; T59-D94 HydrophobicContact CG2-CB 3.88Å; T59-T254 WeakPolarHBondContact OG1-CG2 3.49Å |
| 60 | H | 97.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 35.5 Ų | 35.5 | 32% | 0.324 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -36.5 | 169.3 | -176.9 | 23.3 | 0 | 0 | 0 | 111.9 | N58 T254 Q283 L284 | N58-H60 PolarHBondContact O-N 3.33Å; N58-H60 VanDerWaalsContact O-N 3.16Å; N58-H60 WeakPolarHBondContact OD1-CB 3.43Å; N58-H60 PolarHBondContact OD1-N 3.19Å; H60-T254 HydrophobicContact CB-CG2 4.35Å; H60-Q283 PolarHBondContact CD2-O 3.41Å; H60-Q283 PolarHBondContact NE2-O 3.32Å; H60-L284 HydrophobicContact CB-CD2 4.3Å |
| 61 | L | 97.2 | Very high | 97.7 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -30.4 | -174.5 | -65.3 | -176 | 0 | 0 | 0 | 114 | N58 T59 Q283 | N58-L61 WeakPolarHBondContact ND2-CD1 3.5Å; N58-L61 WeakPolarHBondContact ND2-CG 3.16Å; N58-L61 PolarHBondContact O-N 3.1Å; N58-L61 VanDerWaalsContact O-N 3.1Å; T59-L61 VanDerWaalsContact C-N 3.33Å; L61-Q283 HydrophobicContact CD1-CB 4.26Å; L61-Q283 HydrophobicContact CD1-CG 4.05Å; L61-Q283 HydrophobicContact CD2-CB 4.14Å; L61-Q283 HydrophobicContact CD2-CG 4.41Å |
| 62 | A | 97.2 | Very high | 97.7 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -150.5 | 152.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N58 T59 V67 H215 | N58-A62 PolarHBondContact O-N 3.33Å; T59-A62 WeakPolarHBondContact CA-O 3.49Å; A62-V67 HydrophobicContact CB-CG2 3.62Å; A62-H215 VanDerWaalsContact CB-CD2 3.49Å; A62-H215 WeakPolarHBondContact CB-CD2 3.35Å |
| 63 | S | 98.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | trans | -70.9 | 150.5 | 172.6 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | K65 H66 V67 | S63-K65 VanDerWaalsContact C-N 3.28Å; S63-K65 PolarHBondContact O-N 3.08Å; S63-H66 WeakPolarHBondContact O-CB 3.4Å; S63-H66 PolarHBondContact O-N 3.43Å; S63-H66 VanDerWaalsContact O-N 3.1Å; S63-H66 WeakPolarHBondContact OG-CB 3.49Å; S63-H66 PolarHBondContact OG-N 2.82Å; S63-V67 PolarHBondContact O-N 2.67Å | ||
| 64 | V | 98.2 | Very high | 97.4 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.2 | -42.7 | 178 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | V57 T59 H66 V67 K68 E88 Q93 L96 | V57-V64 HydrophobicContact CB-CG2 4.14Å; V57-V64 HydrophobicContact CG1-CG2 4.2Å; V57-V64 HydrophobicContact CG2-CG1 4.4Å; V57-V64 HydrophobicContact CG2-CG2 4.3Å; T59-V64 HydrophobicContact CG2-CG2 3.86Å; V64-H66 PolarHBondContact O-N 2.86Å; V64-V67 PolarHBondContact O-N 2.99Å; V64-K68 VanDerWaalsContact O-CB 3.25Å; V64-K68 WeakPolarHBondContact O-CB 3.41Å; V64-K68 PolarHBondContact O-N 3.16Å; V64-E88 HydrophobicContact CG1-CG 4.11Å; V64-Q93 WeakPolarHBondContact CG2-O 3.17Å; V64-L96 HydrophobicContact CG1-CD2 3.8Å; V64-L96 HydrophobicContact CG1-CG 4.46Å |
| 65 | K | 97.9 | Very high | 97.2 | Very high | 147 Ų | 147 | 45.2 Ų | 45.2 | 64% | 0.639 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.3 | -42.7 | 176.1 | -175.1 | 174.9 | -178.3 | 175.7 | 0 | 112.7 | S63 N69 | S63-K65 VanDerWaalsContact C-N 3.28Å; S63-K65 PolarHBondContact O-N 3.08Å; K65-N69 PolarHBondContact O-N 3.16Å |
| 66 | H | 97.9 | Very high | 96.9 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 43% | 0.431 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.2 | -48.6 | 178.1 | 178.3 | 61.6 | 0 | 0 | 0 | 111.2 | S63 V64 K68 N69 L70 | S63-H66 WeakPolarHBondContact O-CB 3.4Å; S63-H66 PolarHBondContact O-N 3.43Å; S63-H66 VanDerWaalsContact O-N 3.1Å; S63-H66 WeakPolarHBondContact OG-CB 3.49Å; S63-H66 PolarHBondContact OG-N 2.82Å; V64-H66 PolarHBondContact O-N 2.86Å; H66-K68 VanDerWaalsContact C-N 3.34Å; H66-K68 PolarHBondContact O-N 3.09Å; H66-N69 PolarHBondContact O-N 2.69Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.29Å; H66-L70 PolarHBondContact O-N 3.18Å |
| 67 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -37.5 | -179.2 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | V57 A62 S63 V64 N69 L70 L71 L96 L212 H215 L216 | V57-V67 HydrophobicContact CG1-CB 4Å; V57-V67 HydrophobicContact CG1-CG1 4.27Å; V57-V67 HydrophobicContact CG1-CG2 3.8Å; V57-V67 HydrophobicContact CG2-CB 4.32Å; V57-V67 HydrophobicContact CG2-CG1 4.09Å; A62-V67 HydrophobicContact CB-CG2 3.62Å; S63-V67 PolarHBondContact O-N 2.67Å; V64-V67 PolarHBondContact O-N 2.99Å; V67-N69 VanDerWaalsContact C-N 3.34Å; V67-N69 PolarHBondContact O-N 2.94Å; V67-L70 PolarHBondContact O-N 3.28Å; V67-L71 VanDerWaalsContact O-CB 3.23Å; V67-L71 WeakPolarHBondContact O-CB 3.43Å; V67-L71 PolarHBondContact O-N 3.25Å; V67-L96 HydrophobicContact CG1-CD1 4.29Å; V67-L212 HydrophobicContact CG1-CD1 4.33Å; V67-H215 HydrophobicContact CG1-CB 4.46Å; V67-H215 HydrophobicContact CG2-CB 3.95Å; V67-L216 HydrophobicContact CG1-CD2 3.45Å; V67-L216 VanDerWaalsContact CG1-CD2 3.45Å; V67-L216 HydrophobicContact CG1-CG 4.06Å |
| 68 | K | 98.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 172.9 | 172.9 | 173.3 | 170.7 | 167.8 | 0 | 112.2 | V64 H66 L71 F72 V86 E88 L96 | V64-K68 VanDerWaalsContact O-CB 3.25Å; V64-K68 WeakPolarHBondContact O-CB 3.41Å; V64-K68 PolarHBondContact O-N 3.16Å; H66-K68 VanDerWaalsContact C-N 3.34Å; H66-K68 PolarHBondContact O-N 3.09Å; K68-L71 PolarHBondContact O-N 3.29Å; K68-F72 VanDerWaalsContact O-CB 3.28Å; K68-F72 WeakPolarHBondContact O-CB 3.5Å; K68-F72 PolarHBondContact O-N 3.43Å; K68-V86 WeakPolarHBondContact CE-O 3.18Å; K68-V86 HydrophobicContact CG-CB 4.29Å; K68-V86 HydrophobicContact CG-CG1 4.03Å; K68-V86 PolarHBondContact NZ-O 3.43Å; K68-E88 HydrophobicContact CD-CG 3.86Å; K68-E88 WeakPolarHBondContact CD-OE1 3.39Å; K68-E88 WeakPolarHBondContact CE-OE1 3.35Å; K68-E88 IonicContact NZ-OE1 2.72Å; K68-E88 PolarHBondContact NZ-OE1 3.08Å; K68-L96 HydrophobicContact CB-CD1 4.01Å; K68-L96 HydrophobicContact CB-CD2 3.93Å; K68-L96 HydrophobicContact CD-CD2 4.29Å; K68-L96 HydrophobicContact CG-CD2 4.33Å |
| 69 | N | 97.4 | Very high | 96 | Very high | 85 Ų | 85 | 57.9 Ų | 57.9 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 179.4 | -68.6 | -14.9 | 0 | 0 | 0 | 111.4 | K65 H66 V67 L71 F72 E73 | K65-N69 PolarHBondContact O-N 3.16Å; H66-N69 PolarHBondContact O-N 2.69Å; V67-N69 VanDerWaalsContact C-N 3.34Å; V67-N69 PolarHBondContact O-N 2.94Å; N69-L71 VanDerWaalsContact C-N 3.32Å; N69-L71 PolarHBondContact O-N 2.92Å; N69-F72 PolarHBondContact O-N 3.23Å; N69-E73 WeakPolarHBondContact O-CG 3.42Å; N69-E73 PolarHBondContact O-N 2.73Å |
| 70 | L | 97.2 | Very high | 95.4 | Very high | 52 Ų | 52 | 64.9 Ų | 64.9 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 177.2 | -64.9 | 174.1 | 0 | 0 | 0 | 111.9 | H66 V67 E73 E74 L212 | H66-L70 WeakPolarHBondContact NE2-CD1 3.29Å; H66-L70 PolarHBondContact O-N 3.18Å; V67-L70 PolarHBondContact O-N 3.28Å; L70-E73 PolarHBondContact O-N 3.43Å; L70-E74 WeakPolarHBondContact O-CB 3.16Å; L70-E74 PolarHBondContact O-N 3.07Å; L70-L212 HydrophobicContact CB-CD1 3.73Å; L70-L212 HydrophobicContact CB-CD2 4.19Å; L70-L212 HydrophobicContact CD1-CD1 4.45Å; L70-L212 HydrophobicContact CD1-CD2 3.95Å |
| 71 | L | 96.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 179.6 | -177.2 | 57.3 | 0 | 0 | 0 | 111.6 | V55 V67 K68 N69 E74 I75 V86 L96 I98 F208 V211 L212 L216 | V55-L71 HydrophobicContact CG2-CD2 3.84Å; V67-L71 VanDerWaalsContact O-CB 3.23Å; V67-L71 WeakPolarHBondContact O-CB 3.43Å; V67-L71 PolarHBondContact O-N 3.25Å; K68-L71 PolarHBondContact O-N 3.29Å; N69-L71 VanDerWaalsContact C-N 3.32Å; N69-L71 PolarHBondContact O-N 2.92Å; L71-E74 PolarHBondContact O-N 3.02Å; L71-I75 HydrophobicContact CD1-CD1 4.02Å; L71-I75 HydrophobicContact CD1-CG1 4.2Å; L71-I75 HydrophobicContact CG-CD1 3.83Å; L71-I75 HydrophobicContact CG-CG1 4.45Å; L71-I75 WeakPolarHBondContact O-CB 3.45Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.43Å; L71-I75 PolarHBondContact O-N 3.45Å; L71-V86 HydrophobicContact CD2-CG1 4.26Å; L71-L96 HydrophobicContact CD2-CD1 4.02Å; L71-I98 HydrophobicContact CD2-CD1 4.02Å; L71-I98 HydrophobicContact CD2-CG1 4.5Å; L71-F208 HydrophobicContact CD1-CE1 3.69Å; L71-F208 HydrophobicContact CD1-CZ 4.34Å; L71-F208 HydrophobicContact CD2-CE1 4.28Å; L71-V211 HydrophobicContact CD1-CG1 4.23Å; L71-L212 HydrophobicContact CB-CD1 4.45Å; L71-L216 HydrophobicContact CD1-CD1 4.07Å; L71-L216 HydrophobicContact CD2-CD1 4.25Å |
| 72 | F | 95.6 | Very high | 93.8 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 174.2 | 179.8 | -98.6 | 0 | 0 | 0 | 110.9 | K68 N69 E74 I75 Q76 V86 | K68-F72 VanDerWaalsContact O-CB 3.28Å; K68-F72 WeakPolarHBondContact O-CB 3.5Å; K68-F72 PolarHBondContact O-N 3.43Å; N69-F72 PolarHBondContact O-N 3.23Å; F72-E74 VanDerWaalsContact C-N 3.3Å; F72-E74 PolarHBondContact O-N 2.97Å; F72-I75 PolarHBondContact O-N 2.86Å; F72-Q76 HydrophobicContact CD1-CG 4.26Å; F72-Q76 HydrophobicContact CE1-CG 3.9Å; F72-Q76 VanDerWaalsContact CE2-NE2 3.34Å; F72-Q76 HydrophobicContact CZ-CG 4.05Å; F72-Q76 WeakPolarHBondContact O-CG 3.34Å; F72-Q76 PolarHBondContact O-N 3.39Å; F72-V86 HydrophobicContact CB-CG2 4.2Å; F72-V86 HydrophobicContact CD2-CG2 4.28Å |
| 73 | E | 94.1 | Very high | 93.3 | Very high | 106 Ų | 106 | 66.7 Ų | 66.7 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 176 | -71.8 | 178.2 | -167.6 | 0 | 0 | 112.5 | N69 L70 Q76 K77 | N69-E73 WeakPolarHBondContact O-CG 3.42Å; N69-E73 PolarHBondContact O-N 2.73Å; L70-E73 PolarHBondContact O-N 3.43Å; E73-Q76 PolarHBondContact O-N 2.83Å; E73-K77 WeakPolarHBondContact O-CG 3.44Å; E73-K77 PolarHBondContact O-N 3.42Å; E73-K77 VanDerWaalsContact O-N 3.13Å |
| 74 | E | 94.9 | Very high | 93 | Very high | 55 Ų | 55 | 63.3 Ų | 63.3 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65 | -43 | 178 | -175.4 | 55.1 | -150.4 | 0 | 0 | 112.1 | L70 L71 F72 Q76 K77 Q78 V211 | L70-E74 WeakPolarHBondContact O-CB 3.16Å; L70-E74 PolarHBondContact O-N 3.07Å; L71-E74 PolarHBondContact O-N 3.02Å; F72-E74 VanDerWaalsContact C-N 3.3Å; F72-E74 PolarHBondContact O-N 2.97Å; E74-Q76 VanDerWaalsContact C-N 3.34Å; E74-Q76 PolarHBondContact O-N 3.46Å; E74-K77 WeakPolarHBondContact O-CB 3.37Å; E74-K77 PolarHBondContact O-N 2.88Å; E74-Q78 WeakPolarHBondContact O-CG 3.38Å; E74-Q78 PolarHBondContact O-N 3.2Å; E74-Q78 PolarHBondContact OE1-NE2 2.89Å; E74-V211 HydrophobicContact CG-CG1 3.82Å; E74-V211 HydrophobicContact CG-CG2 4.04Å |
| 75 | I | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.4 | -72.5 | 168.1 | 0 | 0 | 0 | 111 | L71 F72 K77 Q78 F79 I84 V86 I98 P206 | L71-I75 HydrophobicContact CD1-CD1 4.02Å; L71-I75 HydrophobicContact CD1-CG1 4.2Å; L71-I75 HydrophobicContact CG-CD1 3.83Å; L71-I75 HydrophobicContact CG-CG1 4.45Å; L71-I75 WeakPolarHBondContact O-CB 3.45Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.43Å; L71-I75 PolarHBondContact O-N 3.45Å; F72-I75 PolarHBondContact O-N 2.86Å; I75-K77 VanDerWaalsContact C-N 3.29Å; I75-K77 PolarHBondContact O-N 2.89Å; I75-Q78 PolarHBondContact O-N 2.68Å; I75-F79 HydrophobicContact CG2-CD2 3.6Å; I75-F79 HydrophobicContact CG2-CE2 3.75Å; I75-F79 PolarHBondContact O-N 2.96Å; I75-I84 HydrophobicContact CG2-CB 4.05Å; I75-V86 HydrophobicContact CD1-CG2 3.63Å; I75-I98 HydrophobicContact CD1-CG1 3.86Å; I75-I98 HydrophobicContact CD1-CG2 3.99Å; I75-P206 HydrophobicContact CD1-CG 4.25Å; I75-P206 HydrophobicContact CG1-CB 4.04Å; I75-P206 HydrophobicContact CG1-CG 4.21Å |
| 76 | Q | 92 | Very high | 92.7 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -39 | 175.4 | -66.7 | -50.5 | -44.4 | 0 | 0 | 112.1 | F72 E73 E74 K80 G81 L82 | F72-Q76 HydrophobicContact CD1-CG 4.26Å; F72-Q76 HydrophobicContact CE1-CG 3.9Å; F72-Q76 VanDerWaalsContact CE2-NE2 3.34Å; F72-Q76 HydrophobicContact CZ-CG 4.05Å; F72-Q76 WeakPolarHBondContact O-CG 3.34Å; F72-Q76 PolarHBondContact O-N 3.39Å; E73-Q76 PolarHBondContact O-N 2.83Å; E74-Q76 VanDerWaalsContact C-N 3.34Å; E74-Q76 PolarHBondContact O-N 3.46Å; Q76-K80 PolarHBondContact O-N 2.78Å; Q76-G81 PolarHBondContact O-N 3.11Å; Q76-G81 VanDerWaalsContact O-N 3.17Å; Q76-L82 PolarHBondContact OE1-O 2.95Å |
| 77 | K | 92.6 | Very high | 92.7 | Very high | 138 Ų | 138 | 53.2 Ų | 53.2 | 60% | 0.6 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65 | -47.3 | 175.5 | -68.2 | 168.5 | -166.5 | 164.9 | 0 | 111.3 | E73 E74 I75 F79 K80 | E73-K77 WeakPolarHBondContact O-CG 3.44Å; E73-K77 PolarHBondContact O-N 3.42Å; E73-K77 VanDerWaalsContact O-N 3.13Å; E74-K77 WeakPolarHBondContact O-CB 3.37Å; E74-K77 PolarHBondContact O-N 2.88Å; I75-K77 VanDerWaalsContact C-N 3.29Å; I75-K77 PolarHBondContact O-N 2.89Å; K77-F79 VanDerWaalsContact C-N 3.32Å; K77-F79 PolarHBondContact O-N 3.15Å; K77-K80 PolarHBondContact O-N 2.97Å |
| 78 | Q | 93.4 | Very high | 92.7 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | -179 | -70.2 | -172.9 | 25.8 | 0 | 0 | 112.4 | E74 I75 S207 | E74-Q78 WeakPolarHBondContact O-CG 3.38Å; E74-Q78 PolarHBondContact O-N 3.2Å; E74-Q78 PolarHBondContact OE1-NE2 2.89Å; I75-Q78 PolarHBondContact O-N 2.68Å; Q78-S207 PolarHBondContact NE2-O 2.97Å; Q78-S207 PolarHBondContact OE1-O 3.43Å |
| 79 | F | 90 | Very high | 92.6 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 21 | -176.6 | -56.6 | -40 | 0 | 0 | 0 | 115.1 | I75 K77 G81 L82 I84 L204 P206 | I75-F79 HydrophobicContact CG2-CD2 3.6Å; I75-F79 HydrophobicContact CG2-CE2 3.75Å; I75-F79 PolarHBondContact O-N 2.96Å; K77-F79 VanDerWaalsContact C-N 3.32Å; K77-F79 PolarHBondContact O-N 3.15Å; F79-G81 PolarHBondContact O-N 3.3Å; F79-G81 VanDerWaalsContact O-N 3.1Å; F79-L82 HydrophobicContact CB-CB 3.85Å; F79-L82 WeakPolarHBondContact O-CB 3.22Å; F79-L82 PolarHBondContact O-N 3.35Å; F79-I84 HydrophobicContact CD2-CD1 3.43Å; F79-I84 VanDerWaalsContact CD2-CD1 3.43Å; F79-I84 HydrophobicContact CD2-CG1 3.97Å; F79-I84 HydrophobicContact CE2-CD1 3.4Å; F79-I84 VanDerWaalsContact CE2-CD1 3.4Å; F79-I84 HydrophobicContact CE2-CG1 4.31Å; F79-I84 HydrophobicContact CG-CD1 4.4Å; F79-I84 HydrophobicContact CZ-CD1 4.33Å; F79-L204 HydrophobicContact CD1-CD1 3.84Å; F79-L204 HydrophobicContact CD1-CD2 4.18Å; F79-L204 HydrophobicContact CD1-CG 4.11Å; F79-L204 HydrophobicContact CE1-CD1 3.39Å; F79-L204 HydrophobicContact CE1-CD2 4.2Å; F79-L204 HydrophobicContact CE1-CG 3.64Å; F79-L204 HydrophobicContact CZ-CD1 4.15Å; F79-L204 HydrophobicContact CZ-CG 3.94Å; F79-P206 HydrophobicContact CE2-CB 4.16Å; F79-P206 HydrophobicContact CZ-CB 3.94Å; F79-P206 HydrophobicContact CZ-CG 4.48Å |
| 80 | K | 86.6 | Confident | 92.5 | Very high | 203 Ų | 203 | 55.4 Ų | 55.4 | 88% | 0.883 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 41 | 171.7 | -58.3 | -177.9 | -179.8 | 179.7 | 0 | 113.3 | Q76 K77 | Q76-K80 PolarHBondContact O-N 2.78Å; K77-K80 PolarHBondContact O-N 2.97Å |
| 81 | G | 74.3 | Confident | 92.3 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 6.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q76 F79 C83 | Q76-G81 PolarHBondContact O-N 3.11Å; Q76-G81 VanDerWaalsContact O-N 3.17Å; F79-G81 PolarHBondContact O-N 3.3Å; F79-G81 VanDerWaalsContact O-N 3.1Å; G81-C83 PolarHBondContact O-N 3.03Å |
| 82 | L | 85.3 | Confident | 92.3 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | trans | -69.3 | 118.9 | 167.3 | -175.7 | 68.1 | 0 | 0 | 0 | 110 | Q76 F79 I84 L204 I436 | Q76-L82 PolarHBondContact OE1-O 2.95Å; F79-L82 HydrophobicContact CB-CB 3.85Å; F79-L82 WeakPolarHBondContact O-CB 3.22Å; F79-L82 PolarHBondContact O-N 3.35Å; L82-I84 HydrophobicContact CD2-CD1 4.05Å; L82-I84 HydrophobicContact CD2-CG1 4.09Å; L82-I84 HydrophobicContact CG-CG1 4.16Å; L82-I84 PolarHBondContact O-N 3.13Å; L82-L204 HydrophobicContact CD2-CD2 3.99Å; L82-I436 HydrophobicContact CD1-CD1 3.49Å; L82-I436 VanDerWaalsContact CD1-CD1 3.49Å; L82-I436 HydrophobicContact CD1-CG1 3.88Å; L82-I436 HydrophobicContact CD1-CG2 4.08Å; L82-I436 HydrophobicContact CD2-CD1 4.05Å; L82-I436 HydrophobicContact CD2-CG1 4.25Å; L82-I436 HydrophobicContact CG-CD1 4.43Å | ||
| 83 | C | 86.9 | Confident | 92.2 | Very high | 80 Ų | 80 | 62 Ų | 62 | 54% | 0.541 | 32% | 0.32 | S | S | . | . | trans | -76.6 | 96.5 | -179.7 | -165.4 | 0 | 0 | 0 | 0 | 111.4 | G81 | G81-C83 PolarHBondContact O-N 3.03Š| ||
| 84 | I | 92.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | trans | -102.2 | 126.6 | 169.4 | -54.7 | -164.9 | 0 | 0 | 0 | 108.7 | I75 F79 L82 I98 I101 | I75-I84 HydrophobicContact CG2-CB 4.05Å; F79-I84 HydrophobicContact CD2-CD1 3.43Å; F79-I84 VanDerWaalsContact CD2-CD1 3.43Å; F79-I84 HydrophobicContact CD2-CG1 3.97Å; F79-I84 HydrophobicContact CE2-CD1 3.4Å; F79-I84 VanDerWaalsContact CE2-CD1 3.4Å; F79-I84 HydrophobicContact CE2-CG1 4.31Å; F79-I84 HydrophobicContact CG-CD1 4.4Å; F79-I84 HydrophobicContact CZ-CD1 4.33Å; L82-I84 HydrophobicContact CD2-CD1 4.05Å; L82-I84 HydrophobicContact CD2-CG1 4.09Å; L82-I84 HydrophobicContact CG-CG1 4.16Å; L82-I84 PolarHBondContact O-N 3.13Å; I84-I98 HydrophobicContact CG2-CG2 3.89Å; I84-I101 HydrophobicContact CD1-CG1 4.07Å | ||
| 85 | P | 93.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | trans | -74.9 | 153.4 | -179.1 | 33.4 | -34.8 | 0 | 0 | 0 | 111.1 | L87 P99 L439 | P85-L87 HydrophobicContact CB-CD2 3.81Å; P85-L87 HydrophobicContact CG-CD2 4.13Å; P85-P99 HydrophobicContact CG-CG 4.02Å; P85-P99 VanDerWaalsContact O-CD 3.26Å; P85-P99 WeakPolarHBondContact O-CD 3.45Å; P85-L439 HydrophobicContact CG-CD1 4.03Å | ||
| 86 | V | 96.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | trans | -114.8 | 107.3 | 170.9 | -179.2 | 0 | 0 | 0 | 0 | 107 | K68 L71 F72 I75 L96 I98 | K68-V86 WeakPolarHBondContact CE-O 3.18Å; K68-V86 HydrophobicContact CG-CB 4.29Å; K68-V86 HydrophobicContact CG-CG1 4.03Å; K68-V86 PolarHBondContact NZ-O 3.43Å; L71-V86 HydrophobicContact CD2-CG1 4.26Å; F72-V86 HydrophobicContact CB-CG2 4.2Å; F72-V86 HydrophobicContact CD2-CG2 4.28Å; I75-V86 HydrophobicContact CD1-CG2 3.63Å; V86-L96 HydrophobicContact CG1-CB 3.84Å; V86-L96 HydrophobicContact CG1-CD1 4.03Å; V86-L96 HydrophobicContact CG1-CD2 4.15Å; V86-L96 HydrophobicContact CG1-CG 4.23Å; V86-I98 HydrophobicContact CG1-CG1 4.48Å; V86-I98 HydrophobicContact CG2-CG1 4.32Å | ||
| 87 | L | 97.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 144 | -172.8 | -43.8 | -179.6 | 0 | 0 | 0 | 110.3 | F52 P85 L96 L97 E444 L447 I448 | F52-L87 HydrophobicContact CE1-CD1 4.31Å; P85-L87 HydrophobicContact CB-CD2 3.81Å; P85-L87 HydrophobicContact CG-CD2 4.13Å; L87-L96 CarbonylContact O-C 3.53Å; L87-L96 VanDerWaalsContact O-CA 3.3Å; L87-L96 WeakPolarHBondContact O-CA 3.29Å; L87-L97 HydrophobicContact CB-CB 4.23Å; L87-L97 PolarHBondContact N-O 3.05Å; L87-L97 PolarHBondContact O-N 2.9Å; L87-E444 HydrophobicContact CD1-CG 4.43Å; L87-E444 HydrophobicContact CD2-CG 3.61Å; L87-E444 WeakPolarHBondContact CD2-OE1 3.19Å; L87-L447 HydrophobicContact CD1-CB 3.59Å; L87-L447 HydrophobicContact CD1-CD1 3.92Å; L87-L447 HydrophobicContact CD1-CG 4.41Å; L87-I448 HydrophobicContact CD1-CG1 4.38Å |
| 88 | E | 97.3 | Very high | 93.3 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 136.6 | 169 | -71.5 | 167.9 | -120.4 | 0 | 0 | 108.4 | V64 K68 L96 | V64-E88 HydrophobicContact CG1-CG 4.11Å; K68-E88 HydrophobicContact CD-CG 3.86Å; K68-E88 WeakPolarHBondContact CD-OE1 3.39Å; K68-E88 WeakPolarHBondContact CE-OE1 3.35Å; K68-E88 IonicContact NZ-OE1 2.72Å; K68-E88 PolarHBondContact NZ-OE1 3.08Å; E88-L96 HydrophobicContact CG-CD2 3.68Å |
| 89 | H | 97.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -81.9 | 128.5 | 175.7 | -169.6 | -74.1 | 0 | 0 | 0 | 109.9 | E91 I92 I95 L97 N452 | H89-E91 IonicContact CE1-OE2 2.96Å; H89-E91 PolarHBondContact ND1-N 3.01Å; H89-E91 VanDerWaalsContact ND1-N 3.16Å; H89-E91 PolarHBondContact O-N 2.86Å; H89-I92 HydrophobicContact CB-CB 4.21Å; H89-I92 PolarHBondContact ND1-N 3.45Å; H89-I92 VanDerWaalsContact ND1-N 3.13Å; H89-I92 CarbonylContact O-C 3.59Å; H89-I92 PolarHBondContact O-N 3.41Å; H89-I95 HydrophobicContact CB-CD1 3.6Å; H89-I95 HydrophobicContact CB-CG1 3.48Å; H89-I95 VanDerWaalsContact CB-CG1 3.48Å; H89-L97 HydrophobicContact CB-CD1 4.27Å; H89-N452 PolarHBondContact CD2-OD1 3.5Å; H89-N452 PolarHBondContact NE2-ND2 3.14Å; H89-N452 VanDerWaalsContact NE2-ND2 3.2Å; H89-N452 PolarHBondContact NE2-OD1 3.26Å |
| 90 | P | 94.4 | Very high | 93.8 | Very high | 90 Ų | 90 | 42.1 Ų | 42.1 | 58% | 0.584 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -67.5 | -36.1 | -172.2 | 24.4 | -33.5 | 0 | 0 | 0 | 113.2 | I448 | P90-I448 HydrophobicContact CG-CG2 4.25Š|
| 91 | E | 93.8 | Very high | 94.2 | Very high | 111 Ų | 111 | 32.9 Ų | 32.9 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -95.3 | -14.3 | -177.6 | -51.6 | 177.8 | 136.5 | 0 | 0 | 113.6 | H89 P401 | H89-E91 IonicContact CE1-OE2 2.96Å; H89-E91 PolarHBondContact ND1-N 3.01Å; H89-E91 VanDerWaalsContact ND1-N 3.16Å; H89-E91 PolarHBondContact O-N 2.86Å; E91-P401 HydrophobicContact CB-CB 4.26Å |
| 92 | I | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -126.8 | 87.8 | -174.8 | -56.2 | 163.6 | 0 | 0 | 0 | 105.7 | H89 D94 I95 L221 V224 V225 P401 V403 | H89-I92 HydrophobicContact CB-CB 4.21Å; H89-I92 PolarHBondContact ND1-N 3.45Å; H89-I92 VanDerWaalsContact ND1-N 3.13Å; H89-I92 CarbonylContact O-C 3.59Å; H89-I92 PolarHBondContact O-N 3.41Å; I92-D94 PolarHBondContact O-N 2.91Å; I92-D94 VanDerWaalsContact O-N 3.15Å; I92-I95 HydrophobicContact CB-CD1 3.93Å; I92-I95 HydrophobicContact CB-CG1 4.03Å; I92-I95 HydrophobicContact CD1-CD1 4.04Å; I92-I95 HydrophobicContact CG2-CB 4.46Å; I92-I95 HydrophobicContact CG2-CD1 3.89Å; I92-I95 HydrophobicContact CG2-CG1 3.87Å; I92-I95 HydrophobicContact CG2-CG2 3.87Å; I92-I95 WeakPolarHBondContact O-CG1 3.34Å; I92-I95 PolarHBondContact O-N 3.36Å; I92-L221 HydrophobicContact CD1-CD1 3.42Å; I92-L221 VanDerWaalsContact CD1-CD1 3.42Å; I92-V224 HydrophobicContact CG2-CG1 3.95Å; I92-V225 HydrophobicContact CD1-CG2 3.4Å; I92-V225 HydrophobicContact CG1-CG2 4.33Å; I92-P401 HydrophobicContact CG1-CG 4.03Å; I92-V403 HydrophobicContact CD1-CG2 4.17Å | ||
| 93 | Q | 93.6 | Very high | 95.5 | Very high | 157 Ų | 157 | 29.8 Ų | 29.8 | 73% | 0.734 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.2 | -160.5 | -63.1 | 177.3 | 2.2 | 0 | 0 | 113.5 | V64 | V64-Q93 WeakPolarHBondContact CG2-O 3.17Š|
| 94 | D | 97.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 21.7 | -174.7 | 59.5 | 3.9 | 0 | 0 | 0 | 114 | R56 V57 T59 I92 H228 H251 | R56-D94 CarbonylContact C-O 3.55Å; R56-D94 WeakPolarHBondContact CA-O 3.36Å; V57-D94 PolarHBondContact N-O 3.15Å; T59-D94 HydrophobicContact CG2-CB 3.88Å; I92-D94 PolarHBondContact O-N 2.91Å; I92-D94 VanDerWaalsContact O-N 3.15Å; D94-H228 VanDerWaalsContact CG-NE2 3.32Å; D94-H228 IonicContact OD1-CD2 3.3Å; D94-H228 IonicContact OD1-CE1 3.17Å; D94-H228 IonicContact OD1-NE2 2.7Å; D94-H228 PolarHBondContact OD1-NE2 3.47Å; D94-H228 IonicContact OD2-CE1 3.08Å; D94-H228 PolarHBondContact OD2-CE1 3.3Å; D94-H228 IonicContact OD2-NE2 3.69Å; D94-H228 PolarHBondContact OD2-NE2 3.23Å; D94-H251 IonicContact OD1-NE2 2.78Å; D94-H251 IonicContact OD2-CD2 2.63Å; D94-H251 IonicContact OD2-CE1 2.78Å; D94-H251 IonicContact OD2-NE2 3.17Å; D94-H251 PolarHBondContact OD2-NE2 3.06Å |
| 95 | I | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.2 | 172.3 | 67.4 | 175.4 | 0 | 0 | 0 | 113.3 | T54 V55 H89 I92 L97 L221 V224 | T54-I95 HydrophobicContact CG2-CB 4.2Å; T54-I95 HydrophobicContact CG2-CD1 4.15Å; T54-I95 HydrophobicContact CG2-CG2 4.35Å; V55-I95 CarbonylContact O-C 3.49Å; V55-I95 VanDerWaalsContact O-CA 3.27Å; V55-I95 WeakPolarHBondContact O-CA 3.46Å; H89-I95 HydrophobicContact CB-CD1 3.6Å; H89-I95 HydrophobicContact CB-CG1 3.48Å; H89-I95 VanDerWaalsContact CB-CG1 3.48Å; I92-I95 HydrophobicContact CB-CD1 3.93Å; I92-I95 HydrophobicContact CB-CG1 4.03Å; I92-I95 HydrophobicContact CD1-CD1 4.04Å; I92-I95 HydrophobicContact CG2-CB 4.46Å; I92-I95 HydrophobicContact CG2-CD1 3.89Å; I92-I95 HydrophobicContact CG2-CG1 3.87Å; I92-I95 HydrophobicContact CG2-CG2 3.87Å; I92-I95 WeakPolarHBondContact O-CG1 3.34Å; I92-I95 PolarHBondContact O-N 3.36Å; I95-L97 HydrophobicContact CD1-CD2 3.96Å; I95-L221 HydrophobicContact CD1-CD1 3.24Å; I95-V224 HydrophobicContact CG2-CB 4.05Å; I95-V224 HydrophobicContact CG2-CG1 3.53Å; I95-V224 HydrophobicContact CG2-CG2 3.89Å |
| 96 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.7 | 167.2 | -57.3 | 169.8 | 0 | 0 | 0 | 109.5 | V55 V57 V64 V67 K68 L71 V86 L87 E88 | V55-L96 HydrophobicContact CG2-CB 3.73Å; V55-L96 HydrophobicContact CG2-CD1 4.46Å; V55-L96 PolarHBondContact N-O 3.22Å; V55-L96 PolarHBondContact O-N 2.76Å; V57-L96 HydrophobicContact CG2-CD1 3.89Å; V57-L96 HydrophobicContact CG2-CG 3.94Å; V64-L96 HydrophobicContact CG1-CD2 3.8Å; V64-L96 HydrophobicContact CG1-CG 4.46Å; V67-L96 HydrophobicContact CG1-CD1 4.29Å; K68-L96 HydrophobicContact CB-CD1 4.01Å; K68-L96 HydrophobicContact CB-CD2 3.93Å; K68-L96 HydrophobicContact CD-CD2 4.29Å; K68-L96 HydrophobicContact CG-CD2 4.33Å; L71-L96 HydrophobicContact CD2-CD1 4.02Å; V86-L96 HydrophobicContact CG1-CB 3.84Å; V86-L96 HydrophobicContact CG1-CD1 4.03Å; V86-L96 HydrophobicContact CG1-CD2 4.15Å; V86-L96 HydrophobicContact CG1-CG 4.23Å; L87-L96 CarbonylContact O-C 3.53Å; L87-L96 VanDerWaalsContact O-CA 3.3Å; L87-L96 WeakPolarHBondContact O-CA 3.29Å; E88-L96 HydrophobicContact CG-CD2 3.68Å |
| 97 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.1 | -179.9 | -51.3 | 170.2 | 0 | 0 | 0 | 108.9 | F52 T54 L87 H89 I95 I448 A451 | F52-L97 HydrophobicContact CD1-CB 4.01Å; T54-L97 HydrophobicContact CG2-CD2 3.97Å; L87-L97 HydrophobicContact CB-CB 4.23Å; L87-L97 PolarHBondContact N-O 3.05Å; L87-L97 PolarHBondContact O-N 2.9Å; H89-L97 HydrophobicContact CB-CD1 4.27Å; I95-L97 HydrophobicContact CD1-CD2 3.96Å; L97-I448 HydrophobicContact CD1-CG1 4.31Å; L97-A451 HydrophobicContact CD1-CB 3.8Å; L97-A451 HydrophobicContact CD2-CB 4.35Å |
| 98 | I | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.6 | 176.8 | -53.9 | 91 | 0 | 0 | 0 | 108 | F52 T53 V55 L71 I75 I84 V86 P206 F208 | F52-I98 WeakPolarHBondContact CA-O 3.32Å; T53-I98 PolarHBondContact N-O 3.44Å; T53-I98 WeakPolarHBondContact O-CD1 3.44Å; T53-I98 PolarHBondContact O-N 3.29Å; V55-I98 HydrophobicContact CG1-CD1 4.48Å; V55-I98 HydrophobicContact CG2-CD1 3.98Å; L71-I98 HydrophobicContact CD2-CD1 4.02Å; L71-I98 HydrophobicContact CD2-CG1 4.5Å; I75-I98 HydrophobicContact CD1-CG1 3.86Å; I75-I98 HydrophobicContact CD1-CG2 3.99Å; I84-I98 HydrophobicContact CG2-CG2 3.89Å; V86-I98 HydrophobicContact CG1-CG1 4.48Å; V86-I98 HydrophobicContact CG2-CG1 4.32Å; I98-P206 HydrophobicContact CG2-CG 3.97Å; I98-F208 HydrophobicContact CD1-CZ 4.09Å |
| 99 | P | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 144.7 | 176.9 | -15.4 | 25.7 | 0 | 0 | 0 | 112.2 | F52 P85 M434 L439 | F52-P99 HydrophobicContact CD1-CB 4.34Å; F52-P99 HydrophobicContact CD1-CG 4.33Å; F52-P99 HydrophobicContact CE1-CB 3.99Å; F52-P99 HydrophobicContact CE1-CG 3.83Å; P85-P99 HydrophobicContact CG-CG 4.02Å; P85-P99 VanDerWaalsContact O-CD 3.26Å; P85-P99 WeakPolarHBondContact O-CD 3.45Å; P99-M434 HydrophobicContact CB-CE 4.12Å; P99-M434 HydrophobicContact CB-SD 3.45Å; P99-M434 WeakPolarHBondContact CB-SD 3.46Å; P99-L439 HydrophobicContact CB-CD1 3.95Å; P99-L439 HydrophobicContact CG-CD1 3.76Å |
| 100 | V | 96.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -102 | 121.6 | 177.8 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | A51 Y203 S205 | A51-V100 WeakPolarHBondContact O-CB 3.29Å; A51-V100 PolarHBondContact O-N 2.97Å; V100-Y203 HydrophobicContact CG1-CD1 3.92Å; V100-Y203 HydrophobicContact CG1-CG 4.4Å; V100-S205 WeakPolarHBondContact CG1-OG 3.32Å; V100-S205 VanDerWaalsContact CG2-OG 3.25Å; V100-S205 WeakPolarHBondContact CG2-OG 3.17Å |
| 101 | I | 95.1 | Very high | 95.7 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 121.8 | 177.2 | -56.2 | -72.5 | 0 | 0 | 0 | 109.3 | I84 Y203 L204 M434 I436 L439 | I84-I101 HydrophobicContact CD1-CG1 4.07Å; I101-Y203 CarbonylContact O-C 3.53Å; I101-Y203 WeakPolarHBondContact O-CA 3.47Å; I101-L204 HydrophobicContact CB-CB 4.14Å; I101-L204 PolarHBondContact N-O 3.1Å; I101-L204 VanDerWaalsContact N-O 3.12Å; I101-L204 PolarHBondContact O-N 2.82Å; I101-M434 CarbonylContact C-O 3.45Å; I101-M434 VanDerWaalsContact CA-O 3.31Å; I101-M434 WeakPolarHBondContact CA-O 3.39Å; I101-M434 HydrophobicContact CD1-CG 4.43Å; I101-I436 HydrophobicContact CD1-CG1 4.28Å; I101-I436 HydrophobicContact CG2-CG1 4.48Å; I101-L439 HydrophobicContact CD1-CB 4.37Å; I101-L439 HydrophobicContact CD1-CD2 3.76Å |
| 102 | G | 93.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | 152.3 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G433 M434 | G102-G433 CarbonylContact O-C 3.54Å; G102-G433 WeakPolarHBondContact O-CA 3.42Å; G102-M434 PolarHBondContact N-O 2.8Å; G102-M434 PolarHBondContact O-N 2.76Å |
| 103 | P | 95.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | cis | -77.3 | 134.2 | 2.2 | 27.4 | -31.3 | 0 | 0 | 0 | 113.1 | F3 V202 Y203 | F3-P103 HydrophobicContact CB-CB 3.76Å; F3-P103 HydrophobicContact CB-CG 3.65Å; F3-P103 HydrophobicContact CD1-CB 4.27Å; F3-P103 HydrophobicContact CD2-CB 3.79Å; F3-P103 HydrophobicContact CD2-CG 4.28Å; F3-P103 HydrophobicContact CE2-CB 4.45Å; F3-P103 HydrophobicContact CG-CB 3.67Å; F3-P103 HydrophobicContact CG-CG 4.11Å; P103-V202 HydrophobicContact CB-CG1 3.87Å; P103-Y203 HydrophobicContact CB-CE1 4.2Å; P103-Y203 HydrophobicContact CB-CE2 3.9Å | ||
| 104 | R | 93.8 | Very high | 96 | Very high | 63 Ų | 63 | 46.3 Ų | 46.3 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | trans | -82 | 119.8 | 171.8 | -63.9 | -171.6 | -73.2 | -171.8 | -6.4 | 110.7 | I107 P201 V202 | R104-I107 HydrophobicContact CB-CD1 3.73Å; R104-I107 HydrophobicContact CB-CG1 4.06Å; R104-P201 PolarHBondContact NE-O 2.99Å; R104-P201 VanDerWaalsContact NH2-CG 3.34Å; R104-P201 VanDerWaalsContact NH2-N 3.12Å; R104-P201 PolarHBondContact NH2-O 3.12Å; R104-V202 PolarHBondContact N-O 3.41Å | ||
| 105 | R | 91.6 | Very high | 96 | Very high | 152 Ų | 152 | 46.2 Ų | 46.2 | 57% | 0.574 | 23% | 0.231 | S | C | * | . | trans | -101.3 | -15.9 | -171.2 | -63.4 | -174.6 | -178.8 | -108.1 | 1.1 | 114.3 | M1 F3 | M1-R105 PolarHBondContact O-NH2 2.91Å; F3-R105 HydrophobicContact CD2-CG 3.89Å; F3-R105 HydrophobicContact CE2-CG 4.04Å | ||
| 106 | D | 92.3 | Very high | 96 | Very high | 137 Ų | 137 | 46.2 Ų | 46.2 | 73% | 0.733 | 23% | 0.231 | S | C | * | . | trans | -91.1 | 3.7 | -172.5 | 57.7 | -36 | 0 | 0 | 0 | 113.7 | K108 | D106-K108 PolarHBondContact O-N 3.22Š| ||
| 107 | I | 95.9 | Very high | 95.9 | Very high | 24 Ų | 24 | 47 Ų | 47 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 118 | 179.4 | -56.3 | 166.3 | 0 | 0 | 0 | 110.2 | R104 F171 N174 E200 V202 | R104-I107 HydrophobicContact CB-CD1 3.73Å; R104-I107 HydrophobicContact CB-CG1 4.06Å; I107-F171 HydrophobicContact CB-CE1 4.12Å; I107-F171 HydrophobicContact CB-CZ 4.4Å; I107-F171 HydrophobicContact CG2-CE1 3.96Å; I107-F171 HydrophobicContact CG2-CZ 3.74Å; I107-N174 WeakPolarHBondContact CG2-ND2 3.3Å; I107-E200 WeakPolarHBondContact CD1-O 3.46Å; I107-E200 HydrophobicContact CG2-CB 4.26Å; I107-V202 HydrophobicContact CD1-CG2 4.43Å |
| 108 | K | 96.5 | Very high | 95.7 | Very high | 177 Ų | 177 | 48 Ų | 48 | 77% | 0.77 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -77.2 | 130.7 | 176.4 | -67 | -176.7 | -178 | 177.4 | 0 | 110.5 | D106 N174 | D106-K108 PolarHBondContact O-N 3.22Å; K108-N174 PolarHBondContact O-ND2 2.92Å |
| 109 | K | 97.4 | Very high | 95.6 | Very high | 132 Ų | 132 | 55.3 Ų | 55.3 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 144.2 | 178.7 | -61.4 | 170.8 | -178.6 | 177.5 | 0 | 111.1 | S149 F171 | K109-S149 WeakPolarHBondContact CA-OG 3.23Å; K109-F171 HydrophobicContact CG-CD2 4.15Å; K109-F171 HydrophobicContact CG-CE2 4.02Å; K109-F171 HydrophobicContact CG-CZ 4.25Å |
| 110 | H | 96.4 | Very high | 95.6 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 157.7 | 174.4 | -63 | -72.5 | 0 | 0 | 0 | 111.5 | S112 S149 N174 | H110-S112 VanDerWaalsContact C-N 3.33Å; H110-S149 PolarHBondContact N-OG 2.82Å; H110-N174 VanDerWaalsContact CD2-CG 3.45Å; H110-N174 PolarHBondContact NE2-ND2 3.32Å |
| 111 | A | 93.9 | Very high | 95.7 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 85% | 0.851 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -72 | -27.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 112 | S | 95.6 | Very high | 95.8 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -82.6 | 124.8 | 174.5 | -163.2 | 0 | 0 | 0 | 0 | 109.5 | H110 V148 S149 | H110-S112 VanDerWaalsContact C-N 3.33Å; S112-V148 CarbonylContact O-C 3.59Å; S112-V148 WeakPolarHBondContact O-CA 3.4Å; S112-S149 PolarHBondContact O-N 2.87Å |
| 113 | E | 96.9 | Very high | 96 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145.8 | -173.8 | -57.1 | -168 | 148 | 0 | 0 | 111.4 | T138 S139 S149 Y151 K169 | E113-T138 CarbonylContact O-C 3.57Å; E113-T138 VanDerWaalsContact O-CA 3.31Å; E113-T138 WeakPolarHBondContact O-CA 3.47Å; E113-S139 PolarHBondContact N-OG 2.92Å; E113-S139 PolarHBondContact O-N 3.16Å; E113-S149 WeakPolarHBondContact CA-O 3.47Å; E113-Y151 HydrophobicContact CB-CD2 4.28Å; E113-Y151 HydrophobicContact CB-CE2 4.09Å; E113-Y151 HydrophobicContact CG-CD2 4.43Å; E113-Y151 HydrophobicContact CG-CE2 3.77Å; E113-Y151 WeakPolarHBondContact OE1-CE2 3.43Å; E113-Y151 PolarHBondContact OE1-OH 2.71Å; E113-K169 IonicContact OE1-NZ 2.67Å; E113-K169 PolarHBondContact OE1-NZ 2.93Å; E113-K169 IonicContact OE2-NZ 3.18Å; E113-K169 PolarHBondContact OE2-NZ 3.41Å |
| 114 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134 | 170.9 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | V116 I135 T138 L142 V148 S149 V150 Y151 I196 | V114-V116 HydrophobicContact CG1-CG1 4.41Å; V114-I135 HydrophobicContact CG1-CG1 4.39Å; V114-I135 HydrophobicContact CG1-CG2 3.99Å; V114-T138 HydrophobicContact CG1-CG2 4.27Å; V114-T138 HydrophobicContact CG2-CG2 4.12Å; V114-L142 HydrophobicContact CG2-CD2 4.18Å; V114-V148 HydrophobicContact CG2-CB 3.98Å; V114-V148 HydrophobicContact CG2-CG1 4.03Å; V114-V148 HydrophobicContact CG2-CG2 3.97Å; V114-S149 PolarHBondContact N-O 3.02Å; V114-V150 HydrophobicContact CB-CG2 4.46Å; V114-V150 CarbonylContact O-C 3.59Å; V114-V150 WeakPolarHBondContact O-CA 3.25Å; V114-Y151 PolarHBondContact O-N 3.23Å; V114-I196 HydrophobicContact CB-CD1 4.49Å; V114-I196 HydrophobicContact CG1-CD1 4.25Å; V114-I196 HydrophobicContact CG1-CG1 4.07Å; V114-I196 HydrophobicContact CG2-CD1 3.83Å; V114-I196 HydrophobicContact CG2-CG1 4.39Å |
| 115 | I | 98.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.4 | -179.5 | -57.1 | 166.6 | 0 | 0 | 0 | 108.5 | L136 S137 Y151 D153 C158 F165 | I115-L136 PolarHBondContact O-N 3.43Å; I115-S137 PolarHBondContact N-O 3.12Å; I115-S137 PolarHBondContact O-N 3.33Å; I115-S137 VanDerWaalsContact O-N 3.13Å; I115-Y151 CarbonylContact C-O 3.54Å; I115-Y151 VanDerWaalsContact CA-O 3.32Å; I115-Y151 WeakPolarHBondContact CA-O 3.27Å; I115-D153 HydrophobicContact CG2-CB 3.87Å; I115-C158 HydrophobicContact CG2-CB 4.24Å; I115-F165 HydrophobicContact CD1-CB 3.26Å; I115-F165 HydrophobicContact CD1-CD1 3.68Å; I115-F165 HydrophobicContact CD1-CG 3.82Å; I115-F165 HydrophobicContact CG2-CD1 4.49Å |
| 116 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 156.7 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | V114 C120 V130 G134 V150 Y151 D153 I172 | V114-V116 HydrophobicContact CG1-CG1 4.41Å; V116-C120 HydrophobicContact CB-CB 3.93Å; V116-C120 HydrophobicContact CG2-CB 4.15Å; V116-V130 HydrophobicContact CG1-CG1 3.58Å; V116-V130 HydrophobicContact CG1-CG2 4.2Å; V116-G134 VanDerWaalsContact CA-O 3.24Å; V116-G134 WeakPolarHBondContact CA-O 3.46Å; V116-G134 WeakPolarHBondContact CB-O 3.37Å; V116-V150 HydrophobicContact CG1-CG1 3.91Å; V116-V150 HydrophobicContact CG2-CG1 4.34Å; V116-Y151 WeakPolarHBondContact CG2-O 3.39Å; V116-Y151 PolarHBondContact N-O 3.5Å; V116-D153 PolarHBondContact O-N 3.33Å; V116-I172 HydrophobicContact CG2-CD1 3.86Å |
| 117 | G | 96.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 157.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H119 C120 G121 G134 | G117-H119 PolarHBondContact O-N 2.89Å; G117-C120 WeakPolarHBondContact O-CB 3.41Å; G117-C120 PolarHBondContact O-N 3.43Å; G117-G121 PolarHBondContact O-N 2.99Å; G117-G134 PolarHBondContact N-O 3.14Å; G117-G134 VanDerWaalsContact N-O 3.17Å |
| 118 | A | 95 | Very high | 96.9 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -47.1 | -51.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C120 G121 Y122 D153 | A118-C120 VanDerWaalsContact C-N 3.32Å; A118-C120 PolarHBondContact O-N 3.39Å; A118-G121 CarbonylContact O-C 3.45Å; A118-G121 WeakPolarHBondContact O-CA 3.43Å; A118-G121 PolarHBondContact O-N 3.26Å; A118-Y122 HydrophobicContact CB-CE2 4.25Å; A118-Y122 WeakPolarHBondContact O-CD1 3.45Å; A118-Y122 PolarHBondContact O-N 2.74Å; A118-D153 PolarHBondContact N-O 3.48Å |
| 119 | H | 95.1 | Very high | 96.9 | Very high | 152 Ų | 152 | 37.2 Ų | 37.2 | 70% | 0.704 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -62.3 | -36.2 | -180 | -65.7 | -62 | 0 | 0 | 0 | 113.5 | G117 Y122 A123 | G117-H119 PolarHBondContact O-N 2.89Å; H119-Y122 PolarHBondContact O-N 3.05Å; H119-A123 PolarHBondContact O-N 3.32Å |
| 120 | C | 97 | Very high | 97 | Very high | 24 Ų | 24 | 31 Ų | 31 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.6 | -39.8 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | V116 G117 A118 Y122 A123 V124 | V116-C120 HydrophobicContact CB-CB 3.93Å; V116-C120 HydrophobicContact CG2-CB 4.15Å; G117-C120 WeakPolarHBondContact O-CB 3.41Å; G117-C120 PolarHBondContact O-N 3.43Å; A118-C120 VanDerWaalsContact C-N 3.32Å; A118-C120 PolarHBondContact O-N 3.39Å; C120-Y122 VanDerWaalsContact C-N 3.34Å; C120-Y122 PolarHBondContact O-N 3.28Å; C120-A123 PolarHBondContact O-N 3.44Å; C120-V124 WeakPolarHBondContact O-CG2 3.45Å; C120-V124 PolarHBondContact O-N 3.44Å |
| 121 | G | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G117 A118 A123 V124 L125 | G117-G121 PolarHBondContact O-N 2.99Å; A118-G121 CarbonylContact O-C 3.45Å; A118-G121 WeakPolarHBondContact O-CA 3.43Å; A118-G121 PolarHBondContact O-N 3.26Å; G121-A123 PolarHBondContact O-N 3.4Å; G121-V124 PolarHBondContact O-N 2.83Å; G121-L125 WeakPolarHBondContact O-CG 3.36Å; G121-L125 PolarHBondContact O-N 2.81Å |
| 122 | Y | 97.1 | Very high | 97 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 9% | 0.086 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 176.4 | -55.4 | -21.7 | 0 | 0 | 0 | 112.2 | A118 H119 C120 L125 R126 P333 N334 M335 A336 | A118-Y122 HydrophobicContact CB-CE2 4.25Å; A118-Y122 WeakPolarHBondContact O-CD1 3.45Å; A118-Y122 PolarHBondContact O-N 2.74Å; H119-Y122 PolarHBondContact O-N 3.05Å; C120-Y122 VanDerWaalsContact C-N 3.34Å; C120-Y122 PolarHBondContact O-N 3.28Å; Y122-L125 PolarHBondContact O-N 3.02Å; Y122-R126 WeakPolarHBondContact O-CG 3.28Å; Y122-R126 PolarHBondContact O-N 3.41Å; Y122-P333 HydrophobicContact CD1-CG 4.36Å; Y122-P333 WeakPolarHBondContact CD2-O 3.4Å; Y122-P333 HydrophobicContact CG-CG 4.46Å; Y122-P333 VanDerWaalsContact CG-O 3.32Å; Y122-N334 PolarHBondContact OH-OD1 3.45Å; Y122-N334 VanDerWaalsContact OH-OD1 3.12Å; Y122-M335 HydrophobicContact CD1-CE 3.87Å; Y122-M335 HydrophobicContact CE1-CB 4.01Å; Y122-M335 HydrophobicContact CE1-CE 3.62Å; Y122-M335 HydrophobicContact CE1-CG 4.07Å; Y122-M335 PolarHBondContact OH-N 3.16Å; Y122-A336 PolarHBondContact OH-N 3.35Å; Y122-A336 VanDerWaalsContact OH-N 3.14Å; Y122-A336 PolarHBondContact OH-O 3.04Å |
| 123 | A | 97.6 | Very high | 96.9 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 36% | 0.364 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H119 C120 G121 L125 R126 G127 A128 | H119-A123 PolarHBondContact O-N 3.32Å; C120-A123 PolarHBondContact O-N 3.44Å; G121-A123 PolarHBondContact O-N 3.4Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 2.85Å; A123-R126 CarbonylContact O-C 3.43Å; A123-R126 WeakPolarHBondContact O-CA 3.31Å; A123-R126 PolarHBondContact O-N 3.16Å; A123-G127 PolarHBondContact O-N 3.45Å; A123-A128 HydrophobicContact CB-CB 3.96Å; A123-A128 VanDerWaalsContact O-CB 3.25Å; A123-A128 WeakPolarHBondContact O-CB 3.38Å; A123-A128 PolarHBondContact O-N 3.15Å |
| 124 | V | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 175.2 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | C120 G121 R126 G127 A128 V130 I172 M198 | C120-V124 WeakPolarHBondContact O-CG2 3.45Å; C120-V124 PolarHBondContact O-N 3.44Å; G121-V124 PolarHBondContact O-N 2.83Å; V124-R126 PolarHBondContact O-N 3.5Å; V124-R126 VanDerWaalsContact O-N 3.13Å; V124-G127 PolarHBondContact O-N 2.78Å; V124-A128 WeakPolarHBondContact CA-O 3.45Å; V124-V130 HydrophobicContact CG2-CG2 3.65Å; V124-I172 HydrophobicContact CB-CD1 3.98Å; V124-I172 HydrophobicContact CG1-CB 4.46Å; V124-I172 HydrophobicContact CG1-CD1 3.91Å; V124-I172 HydrophobicContact CG1-CG1 4.29Å; V124-I172 HydrophobicContact CG2-CD1 4.29Å; V124-M198 HydrophobicContact CG1-CE 3.84Å; V124-M198 HydrophobicContact CG1-CG 4.04Å; V124-M198 HydrophobicContact CG1-SD 4.19Å |
| 125 | L | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12 | 174.5 | -68.3 | 173.8 | 0 | 0 | 0 | 113.6 | F4 G121 Y122 A123 I172 Y203 P333 M335 | F4-L125 HydrophobicContact CE2-CD1 3.99Å; F4-L125 HydrophobicContact CE2-CD2 4.08Å; F4-L125 HydrophobicContact CZ-CD1 4.03Å; F4-L125 HydrophobicContact CZ-CD2 3.76Å; G121-L125 WeakPolarHBondContact O-CG 3.36Å; G121-L125 PolarHBondContact O-N 2.81Å; Y122-L125 PolarHBondContact O-N 3.02Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 2.85Å; L125-I172 HydrophobicContact CD1-CG2 4.28Å; L125-I172 HydrophobicContact CD2-CB 4.22Å; L125-I172 HydrophobicContact CD2-CG2 4.06Å; L125-I172 HydrophobicContact CG-CG2 4.12Å; L125-Y203 HydrophobicContact CD2-CD2 3.82Å; L125-Y203 HydrophobicContact CD2-CE2 4.45Å; L125-P333 HydrophobicContact CB-CG 3.8Å; L125-P333 HydrophobicContact CD1-CB 4.19Å; L125-P333 HydrophobicContact CD1-CG 3.92Å; L125-M335 HydrophobicContact CD1-CE 3.75Å |
| 126 | R | 97.7 | Very high | 96.7 | Very high | 50 Ų | 50 | 28.5 Ų | 28.5 | 19% | 0.189 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 11.2 | 172.9 | -65 | -74.6 | -78 | 165.7 | -6.6 | 112.8 | F52 Y122 A123 V124 N220 | F52-R126 PolarHBondContact O-NH1 2.78Å; Y122-R126 WeakPolarHBondContact O-CG 3.28Å; Y122-R126 PolarHBondContact O-N 3.41Å; A123-R126 CarbonylContact O-C 3.43Å; A123-R126 WeakPolarHBondContact O-CA 3.31Å; A123-R126 PolarHBondContact O-N 3.16Å; V124-R126 PolarHBondContact O-N 3.5Å; V124-R126 VanDerWaalsContact O-N 3.13Å; R126-N220 PolarHBondContact NH2-OD1 2.79Å |
| 127 | G | 96.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | 1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | A123 V124 S205 S207 | A123-G127 PolarHBondContact O-N 3.45Å; V124-G127 PolarHBondContact O-N 2.78Å; G127-S205 WeakPolarHBondContact CA-O 3.33Å; G127-S207 WeakPolarHBondContact O-CA 3.26Å |
| 128 | A | 97.4 | Very high | 96.6 | Very high | 29 Ų | 29 | 28 Ų | 28 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 152.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | A123 V124 | A123-A128 HydrophobicContact CB-CB 3.96Å; A123-A128 VanDerWaalsContact O-CB 3.25Å; A123-A128 WeakPolarHBondContact O-CB 3.38Å; A123-A128 PolarHBondContact O-N 3.15Å; V124-A128 WeakPolarHBondContact CA-O 3.45Å |
| 129 | H | 97.5 | Very high | 96.6 | Very high | 40 Ų | 40 | 28.3 Ų | 28.3 | 19% | 0.185 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 168.5 | 159.7 | -59.7 | -46.3 | 0 | 0 | 0 | 110.9 | Y131 M194 M198 | H129-Y131 HydrophobicContact CB-CE2 4.44Å; H129-Y131 WeakPolarHBondContact O-CD2 3.48Å; H129-Y131 WeakPolarHBondContact O-CE2 3.29Å; H129-M194 HydrophobicContact CB-CE 4.16Å; H129-M194 HydrophobicContact CB-CG 4.27Å; H129-M194 HydrophobicContact CB-SD 4.24Å; H129-M194 VanDerWaalsContact CD2-CE 3.45Å; H129-M194 WeakPolarHBondContact CD2-CE 3.43Å; H129-M198 PolarHBondContact ND1-N 3.49Å |
| 130 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.1 | 176.2 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | V116 V124 I135 V150 G195 I196 M198 | V116-V130 HydrophobicContact CG1-CG1 3.58Å; V116-V130 HydrophobicContact CG1-CG2 4.2Å; V124-V130 HydrophobicContact CG2-CG2 3.65Å; V130-I135 HydrophobicContact CG1-CD1 4.03Å; V130-I135 HydrophobicContact CG1-CG1 3.5Å; V130-I135 VanDerWaalsContact CG1-CG1 3.5Å; V130-V150 HydrophobicContact CG2-CG1 4.16Å; V130-G195 WeakPolarHBondContact O-CA 3.43Å; V130-G195 PolarHBondContact O-N 2.88Å; V130-I196 HydrophobicContact CB-CB 3.83Å; V130-I196 HydrophobicContact CB-CG1 4.02Å; V130-I196 HydrophobicContact CG1-CG1 4.19Å; V130-I196 HydrophobicContact CG2-CB 4.15Å; V130-I196 HydrophobicContact CG2-CG1 4.44Å; V130-I196 PolarHBondContact N-O 3.37Å; V130-I196 PolarHBondContact O-N 3.3Å; V130-M198 HydrophobicContact CG2-CG 4.48Å; V130-M198 HydrophobicContact CG2-SD 3.94Å |
| 131 | Y | 95.9 | Very high | 96.3 | Very high | 72 Ų | 72 | 35.1 Ų | 35.1 | 28% | 0.282 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 150.3 | 172.7 | -60.2 | -95.1 | 0 | 0 | 0 | 110.5 | H129 P133 G134 G193 D209 | H129-Y131 HydrophobicContact CB-CE2 4.44Å; H129-Y131 WeakPolarHBondContact O-CD2 3.48Å; H129-Y131 WeakPolarHBondContact O-CE2 3.29Å; Y131-P133 VanDerWaalsContact C-N 3.31Å; Y131-P133 VanDerWaalsContact O-N 3.15Å; Y131-G134 PolarHBondContact O-N 3.45Å; Y131-G193 WeakPolarHBondContact CA-O 3.35Å; Y131-D209 VanDerWaalsContact OH-CB 3.28Å; Y131-D209 WeakPolarHBondContact OH-CB 3.45Å; Y131-D209 PolarHBondContact OH-OD2 3.39Å |
| 132 | V | 95.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -50.7 | -39.1 | -175.1 | 170.9 | 0 | 0 | 0 | 0 | 114.5 | G134 I135 R160 L179 I184 L191 G193 | V132-G134 PolarHBondContact O-N 3.13Å; V132-I135 PolarHBondContact O-N 2.89Å; V132-I135 VanDerWaalsContact O-N 3.15Å; V132-R160 PolarHBondContact O-NH2 2.99Å; V132-R160 VanDerWaalsContact O-NH2 3.1Å; V132-L179 HydrophobicContact CG2-CD1 3.38Å; V132-I184 HydrophobicContact CG1-CG2 4.42Å; V132-L191 VanDerWaalsContact CB-O 3.27Å; V132-L191 WeakPolarHBondContact CB-O 3.11Å; V132-L191 HydrophobicContact CG1-CB 4.28Å; V132-L191 WeakPolarHBondContact CG1-O 3.4Å; V132-L191 HydrophobicContact CG2-CB 4.41Å; V132-G193 PolarHBondContact N-O 3Å |
| 133 | P | 93.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 41 Ų | 41 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -58.5 | -30.5 | 176.3 | -27.9 | 37.2 | 0 | 0 | 0 | 113.7 | Y131 R160 | Y131-P133 VanDerWaalsContact C-N 3.31Å; Y131-P133 VanDerWaalsContact O-N 3.15Å; P133-R160 PolarHBondContact O-NH1 2.86Å |
| 134 | G | 95.4 | Very high | 96.1 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 19% | 0.186 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -79.7 | -15 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V116 G117 Y131 V132 | V116-G134 VanDerWaalsContact CA-O 3.24Å; V116-G134 WeakPolarHBondContact CA-O 3.46Å; V116-G134 WeakPolarHBondContact CB-O 3.37Å; G117-G134 PolarHBondContact N-O 3.14Å; G117-G134 VanDerWaalsContact N-O 3.17Å; Y131-G134 PolarHBondContact O-N 3.45Å; V132-G134 PolarHBondContact O-N 3.13Å |
| 135 | I | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.1 | -178.9 | -57.3 | 176.7 | 0 | 0 | 0 | 110.3 | V114 V130 V132 T138 I184 F185 I196 | V114-I135 HydrophobicContact CG1-CG1 4.39Å; V114-I135 HydrophobicContact CG1-CG2 3.99Å; V130-I135 HydrophobicContact CG1-CD1 4.03Å; V130-I135 HydrophobicContact CG1-CG1 3.5Å; V130-I135 VanDerWaalsContact CG1-CG1 3.5Å; V132-I135 PolarHBondContact O-N 2.89Å; V132-I135 VanDerWaalsContact O-N 3.15Å; I135-T138 HydrophobicContact CG2-CG2 3.69Å; I135-I184 HydrophobicContact CB-CG2 4.1Å; I135-I184 HydrophobicContact CD1-CD1 3.95Å; I135-I184 HydrophobicContact CD1-CG1 4.37Å; I135-I184 HydrophobicContact CD1-CG2 4.33Å; I135-I184 HydrophobicContact CG2-CG2 3.91Å; I135-F185 HydrophobicContact CG2-CZ 4.12Å; I135-I196 HydrophobicContact CD1-CD1 4.35Å; I135-I196 HydrophobicContact CD1-CG1 4.16Å |
| 136 | L | 96.6 | Very high | 96 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -42.9 | 177.8 | -60.9 | -179.4 | 0 | 0 | 0 | 111.9 | I115 D153 C158 R160 G161 F185 | I115-L136 PolarHBondContact O-N 3.43Å; L136-D153 HydrophobicContact CD1-CB 4.46Å; L136-C158 HydrophobicContact CB-CB 4.41Å; L136-C158 HydrophobicContact CD1-CB 4.08Å; L136-R160 HydrophobicContact CD2-CB 4.44Å; L136-R160 CarbonylContact O-C 3.59Å; L136-R160 VanDerWaalsContact O-CA 3.26Å; L136-R160 WeakPolarHBondContact O-CA 3.17Å; L136-G161 PolarHBondContact O-N 3.44Å; L136-F185 WeakPolarHBondContact O-CE1 3.45Å; L136-F185 WeakPolarHBondContact O-CZ 3.34Å |
| 137 | S | 97.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 155.5 | -176 | 173 | 0 | 0 | 0 | 0 | 110.8 | I115 A162 | I115-S137 PolarHBondContact N-O 3.12Å; I115-S137 PolarHBondContact O-N 3.33Å; I115-S137 VanDerWaalsContact O-N 3.13Å; S137-A162 PolarHBondContact OG-O 2.92Å |
| 138 | T | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 162.2 | 178.4 | 68.3 | 0 | 0 | 0 | 0 | 110.6 | E113 V114 I135 L142 R181 I184 F185 | E113-T138 CarbonylContact O-C 3.57Å; E113-T138 VanDerWaalsContact O-CA 3.31Å; E113-T138 WeakPolarHBondContact O-CA 3.47Å; V114-T138 HydrophobicContact CG1-CG2 4.27Å; V114-T138 HydrophobicContact CG2-CG2 4.12Å; I135-T138 HydrophobicContact CG2-CG2 3.69Å; T138-L142 HydrophobicContact CG2-CD2 3.73Å; T138-R181 PolarHBondContact O-NH1 3.21Å; T138-R181 WeakPolarHBondContact OG1-CD 3.45Å; T138-R181 WeakPolarHBondContact OG1-CG 3.3Å; T138-R181 PolarHBondContact OG1-NH1 3.48Å; T138-I184 HydrophobicContact CG2-CD1 4.11Å; T138-F185 HydrophobicContact CG2-CE2 4.01Å; T138-F185 HydrophobicContact CG2-CZ 4.28Å |
| 139 | S | 94.5 | Very high | 96.2 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | trans | -56.9 | 145.2 | 167.4 | -76.1 | 0 | 0 | 0 | 0 | 112.3 | E113 L141 L142 | E113-S139 PolarHBondContact N-OG 2.92Å; E113-S139 PolarHBondContact O-N 3.16Å; S139-L141 VanDerWaalsContact C-N 3.27Å; S139-L141 PolarHBondContact O-N 3.34Å; S139-L142 WeakPolarHBondContact O-CB 3.4Å; S139-L142 PolarHBondContact O-N 3.23Å | ||
| 140 | R | 92.6 | Very high | 96.2 | Very high | 167 Ų | 167 | 44.8 Ų | 44.8 | 63% | 0.63 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -35.9 | -174.4 | -68 | -176.2 | -177.6 | -174.4 | 0.7 | 114.1 | K163 | R140-K163 HydrophobicContact CG-CB 3.92Å; R140-K163 HydrophobicContact CG-CD 4.1Å; R140-K163 HydrophobicContact CG-CG 4.11Å |
| 141 | L | 93.3 | Very high | 96.2 | Very high | 151 Ų | 151 | 45.3 Ų | 45.3 | 79% | 0.791 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 15.8 | -173.3 | -59.1 | 178.5 | 0 | 0 | 0 | 112.8 | S139 K143 | S139-L141 VanDerWaalsContact C-N 3.27Å; S139-L141 PolarHBondContact O-N 3.34Å; L141-K143 PolarHBondContact O-N 3.32Å |
| 142 | L | 95.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | trans | -60.3 | 126.1 | -177.1 | -178.4 | 72.3 | 0 | 0 | 0 | 111.7 | V114 T138 S139 D146 V148 S180 R181 I184 | V114-L142 HydrophobicContact CG2-CD2 4.18Å; T138-L142 HydrophobicContact CG2-CD2 3.73Å; S139-L142 WeakPolarHBondContact O-CB 3.4Å; S139-L142 PolarHBondContact O-N 3.23Å; L142-D146 HydrophobicContact CD1-CB 3.89Å; L142-V148 HydrophobicContact CD1-CG1 3.36Å; L142-S180 WeakPolarHBondContact O-CA 3.42Å; L142-R181 HydrophobicContact CB-CB 4.28Å; L142-R181 PolarHBondContact O-N 3.37Å; L142-R181 VanDerWaalsContact O-N 3.08Å; L142-I184 HydrophobicContact CD2-CD1 4.15Å | ||
| 143 | K | 95.9 | Very high | 96.3 | Very high | 141 Ų | 141 | 41.9 Ų | 41.9 | 61% | 0.613 | 23% | 0.233 | S | C | * | . | trans | -116.8 | 159.9 | 174.2 | -63.1 | 177.9 | -175.7 | 179.4 | 0 | 110.9 | L141 D146 | L141-K143 PolarHBondContact O-N 3.32Å; K143-D146 PolarHBondContact N-OD2 3.44Å; K143-D146 WeakPolarHBondContact O-CB 3.49Å; K143-D146 PolarHBondContact O-N 3.01Å | ||
| 144 | A | 96.2 | Very high | 96.3 | Very high | 58 Ų | 58 | 39.9 Ų | 39.9 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 138.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | S177 E178 | A144-S177 CarbonylContact C-O 3.41Å; A144-S177 WeakPolarHBondContact CA-O 3.47Å; A144-E178 WeakPolarHBondContact CB-O 3.41Å |
| 145 | G | 96.8 | Very high | 96 | Very high | 53 Ų | 53 | 43 Ų | 43 | 55% | 0.546 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -13 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | S177 | G145-S177 PolarHBondContact N-O 3.13Š|
| 146 | D | 97.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | trans | -66.2 | 138.2 | -179.7 | -73.6 | -10.6 | 0 | 0 | 0 | 111.7 | L142 K143 V148 I176 S177 | L142-D146 HydrophobicContact CD1-CB 3.89Å; K143-D146 PolarHBondContact N-OD2 3.44Å; K143-D146 WeakPolarHBondContact O-CB 3.49Å; K143-D146 PolarHBondContact O-N 3.01Å; D146-V148 HydrophobicContact CB-CG1 4.43Å; D146-I176 WeakPolarHBondContact O-CA 3Å; D146-S177 PolarHBondContact O-N 3.19Å | ||
| 147 | L | 98.1 | Very high | 95.7 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.8 | 166 | -69.3 | 171 | 0 | 0 | 0 | 109.7 | I176 | L147-I176 HydrophobicContact CD2-CG1 3.74Å |
| 148 | V | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.8 | -175.4 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | S112 V114 L142 D146 V150 N174 G175 I196 | S112-V148 CarbonylContact O-C 3.59Å; S112-V148 WeakPolarHBondContact O-CA 3.4Å; V114-V148 HydrophobicContact CG2-CB 3.98Å; V114-V148 HydrophobicContact CG2-CG1 4.03Å; V114-V148 HydrophobicContact CG2-CG2 3.97Å; L142-V148 HydrophobicContact CD1-CG1 3.36Å; D146-V148 HydrophobicContact CB-CG1 4.43Å; V148-V150 HydrophobicContact CG2-CG2 4.18Å; V148-N174 CarbonylContact O-C 3.46Å; V148-N174 WeakPolarHBondContact O-CA 3.36Å; V148-N174 WeakPolarHBondContact O-CB 3.45Å; V148-G175 WeakPolarHBondContact CG2-O 3.18Å; V148-G175 PolarHBondContact N-O 2.86Å; V148-G175 PolarHBondContact O-N 3.16Å; V148-I196 HydrophobicContact CG2-CD1 4.2Å; V148-I196 HydrophobicContact CG2-CG2 3.67Å |
| 149 | S | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.9 | 162.6 | -75.1 | 0 | 0 | 0 | 0 | 110.1 | K109 H110 S112 E113 V114 Y151 N174 | K109-S149 WeakPolarHBondContact CA-OG 3.23Å; H110-S149 PolarHBondContact N-OG 2.82Å; S112-S149 PolarHBondContact O-N 2.87Å; E113-S149 WeakPolarHBondContact CA-O 3.47Å; V114-S149 PolarHBondContact N-O 3.02Å; S149-Y151 WeakPolarHBondContact O-CD2 3.28Å; S149-N174 PolarHBondContact OG-OD1 2.62Å |
| 150 | V | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.3 | -179.2 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | V114 V116 V130 V148 I172 G173 I196 M198 | V114-V150 HydrophobicContact CB-CG2 4.46Å; V114-V150 CarbonylContact O-C 3.59Å; V114-V150 WeakPolarHBondContact O-CA 3.25Å; V116-V150 HydrophobicContact CG1-CG1 3.91Å; V116-V150 HydrophobicContact CG2-CG1 4.34Å; V130-V150 HydrophobicContact CG2-CG1 4.16Å; V148-V150 HydrophobicContact CG2-CG2 4.18Å; V150-I172 HydrophobicContact CB-CD1 4.43Å; V150-I172 HydrophobicContact CB-CG1 4.06Å; V150-I172 HydrophobicContact CG1-CD1 3.84Å; V150-I172 HydrophobicContact CG1-CG1 4.01Å; V150-I172 VanDerWaalsContact O-CG1 3.3Å; V150-I172 WeakPolarHBondContact O-CG1 3.28Å; V150-I172 PolarHBondContact O-N 2.84Å; V150-G173 PolarHBondContact N-O 3.01Å; V150-I196 HydrophobicContact CG2-CG2 4.06Å; V150-M198 HydrophobicContact CB-CE 4.29Å; V150-M198 HydrophobicContact CB-SD 4.33Å; V150-M198 HydrophobicContact CG2-CE 4.11Å; V150-M198 HydrophobicContact CG2-SD 3.74Å |
| 151 | Y | 98.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.6 | 178.9 | -60.5 | -96.5 | 0 | 0 | 0 | 111.5 | E113 V114 I115 V116 S149 K169 V170 F171 | E113-Y151 HydrophobicContact CB-CD2 4.28Å; E113-Y151 HydrophobicContact CB-CE2 4.09Å; E113-Y151 HydrophobicContact CG-CD2 4.43Å; E113-Y151 HydrophobicContact CG-CE2 3.77Å; E113-Y151 WeakPolarHBondContact OE1-CE2 3.43Å; E113-Y151 PolarHBondContact OE1-OH 2.71Å; V114-Y151 PolarHBondContact O-N 3.23Å; I115-Y151 CarbonylContact C-O 3.54Å; I115-Y151 VanDerWaalsContact CA-O 3.32Å; I115-Y151 WeakPolarHBondContact CA-O 3.27Å; V116-Y151 WeakPolarHBondContact CG2-O 3.39Å; V116-Y151 PolarHBondContact N-O 3.5Å; S149-Y151 WeakPolarHBondContact O-CD2 3.28Å; Y151-K169 HydrophobicContact CD1-CB 4.15Å; Y151-K169 HydrophobicContact CD1-CD 3.98Å; Y151-K169 HydrophobicContact CD1-CG 3.72Å; Y151-K169 HydrophobicContact CE1-CD 4.31Å; Y151-K169 HydrophobicContact CE1-CG 4.26Å; Y151-K169 HydrophobicContact CG-CB 4.29Å; Y151-K169 HydrophobicContact CG-CD 4.1Å; Y151-K169 HydrophobicContact CG-CG 4.17Å; Y151-V170 CarbonylContact C-O 3.47Å; Y151-V170 WeakPolarHBondContact CA-O 3.48Å; Y151-F171 HydrophobicContact CD1-CB 3.97Å; Y151-F171 HydrophobicContact CD1-CD2 4.36Å; Y151-F171 HydrophobicContact CE1-CB 3.78Å; Y151-F171 AromaticContact CE1-CD2 3.92Å; Y151-F171 HydrophobicContact CE1-CD2 3.92Å; Y151-F171 HydrophobicContact CE1-CG 4.33Å |
| 152 | S | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 127 | 171.9 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | I154 V170 | S152-I154 PolarHBondContact O-N 2.86Å; S152-V170 PolarHBondContact N-O 2.82Å; S152-V170 PolarHBondContact O-N 3.47Å |
| 153 | D | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 94 | 164.8 | 171.7 | 23.7 | 0 | 0 | 0 | 109 | I115 V116 A118 L136 E155 G156 K157 C158 F165 | I115-D153 HydrophobicContact CG2-CB 3.87Å; V116-D153 PolarHBondContact O-N 3.33Å; A118-D153 PolarHBondContact N-O 3.48Å; L136-D153 HydrophobicContact CD1-CB 4.46Å; D153-E155 VanDerWaalsContact C-N 3.34Å; D153-E155 PolarHBondContact OD1-N 2.8Å; D153-G156 PolarHBondContact OD1-N 3.4Å; D153-G156 VanDerWaalsContact OD2-C 3.27Å; D153-G156 VanDerWaalsContact OD2-CA 3.26Å; D153-G156 WeakPolarHBondContact OD2-CA 3.41Å; D153-K157 PolarHBondContact OD1-N 2.85Å; D153-K157 PolarHBondContact OD2-N 3.48Å; D153-C158 HydrophobicContact CB-CB 4.05Å; D153-C158 WeakPolarHBondContact OD2-CA 3.46Å; D153-C158 WeakPolarHBondContact OD2-CB 3.27Å; D153-C158 PolarHBondContact OD2-N 3.48Å; D153-F165 HydrophobicContact CB-CE1 4.37Å; D153-F165 HydrophobicContact CB-CZ 4.43Å |
| 154 | I | 92.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -76.1 | -23.6 | -176.8 | 61.3 | 169.8 | 0 | 0 | 0 | 112.3 | S152 I168 V170 M335 A336 | S152-I154 PolarHBondContact O-N 2.86Å; I154-I168 HydrophobicContact CD1-CG2 4.08Å; I154-I168 HydrophobicContact CG1-CG2 4.19Å; I154-V170 HydrophobicContact CD1-CG2 3.83Å; I154-V170 HydrophobicContact CG1-CG2 4.23Å; I154-V170 HydrophobicContact CG2-CB 4.38Å; I154-V170 HydrophobicContact CG2-CG2 3.81Å; I154-M335 HydrophobicContact CB-CB 4.32Å; I154-M335 HydrophobicContact CD1-CB 4.39Å; I154-M335 HydrophobicContact CG2-CB 3.78Å; I154-M335 HydrophobicContact CG2-CE 3.8Å; I154-M335 HydrophobicContact CG2-SD 4.11Å; I154-A336 HydrophobicContact CB-CB 3.99Å; I154-A336 HydrophobicContact CG1-CB 4.45Å; I154-A336 WeakPolarHBondContact O-CB 3.24Å |
| 155 | E | 90.3 | Very high | 94.6 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 40% | 0.397 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -90.6 | -8.7 | -178.9 | -60.6 | -171 | 130.8 | 0 | 0 | 113.4 | D153 K157 I168 | D153-E155 VanDerWaalsContact C-N 3.34Å; D153-E155 PolarHBondContact OD1-N 2.8Å; E155-K157 VanDerWaalsContact C-N 3.32Å; E155-K157 HydrophobicContact CB-CG 3.76Å; E155-K157 PolarHBondContact O-N 3.03Å; E155-I168 HydrophobicContact CG-CB 4.41Å |
| 156 | G | 91.7 | Very high | 94.3 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 62% | 0.619 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 65.4 | 32.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D153 | D153-G156 PolarHBondContact OD1-N 3.4Å; D153-G156 VanDerWaalsContact OD2-C 3.27Å; D153-G156 VanDerWaalsContact OD2-CA 3.26Å; D153-G156 WeakPolarHBondContact OD2-CA 3.41Å |
| 157 | K | 93.5 | Very high | 94 | Very high | 145 Ų | 145 | 58.7 Ų | 58.7 | 63% | 0.63 | 31% | 0.309 | S | S | * | . | trans | -96.6 | -16.2 | -177.3 | -58.5 | -59.8 | -179.9 | -177.1 | 0 | 113.3 | D153 E155 K159 F165 | D153-K157 PolarHBondContact OD1-N 2.85Å; D153-K157 PolarHBondContact OD2-N 3.48Å; E155-K157 VanDerWaalsContact C-N 3.32Å; E155-K157 HydrophobicContact CB-CG 3.76Å; E155-K157 PolarHBondContact O-N 3.03Å; K157-K159 PolarHBondContact O-N 2.88Å; K157-F165 HydrophobicContact CB-CE2 4.11Å; K157-F165 HydrophobicContact CB-CZ 4.38Å | ||
| 158 | C | 94.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 8% | 0.081 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 121.7 | 179.9 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | I115 L136 D153 F165 | I115-C158 HydrophobicContact CG2-CB 4.24Å; L136-C158 HydrophobicContact CB-CB 4.41Å; L136-C158 HydrophobicContact CD1-CB 4.08Å; D153-C158 HydrophobicContact CB-CB 4.05Å; D153-C158 WeakPolarHBondContact OD2-CA 3.46Å; D153-C158 WeakPolarHBondContact OD2-CB 3.27Å; D153-C158 PolarHBondContact OD2-N 3.48Å; C158-F165 HydrophobicContact CB-CD2 3.75Å; C158-F165 HydrophobicContact CB-CE1 4.47Å; C158-F165 HydrophobicContact CB-CE2 3.71Å; C158-F165 HydrophobicContact CB-CG 4.17Å; C158-F165 HydrophobicContact CB-CZ 4.06Å |
| 159 | K | 94.1 | Very high | 93.3 | Very high | 168 Ų | 168 | 62.1 Ų | 62.1 | 73% | 0.73 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 136.9 | 174.9 | -64.6 | -177.7 | -179.2 | 178.9 | 0 | 110.1 | K157 G161 A162 | K157-K159 PolarHBondContact O-N 2.88Å; K159-G161 PolarHBondContact O-N 2.97Å; K159-A162 VanDerWaalsContact O-CB 3.27Å; K159-A162 WeakPolarHBondContact O-CB 3.47Å; K159-A162 PolarHBondContact O-N 3.23Å |
| 160 | R | 93.9 | Very high | 93.2 | Very high | 123 Ų | 123 | 63 Ų | 63 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 131.3 | 176.2 | -167 | -179 | -173.9 | 100 | 8.7 | 110.4 | V132 P133 L136 F185 | V132-R160 PolarHBondContact O-NH2 2.99Å; V132-R160 VanDerWaalsContact O-NH2 3.1Å; P133-R160 PolarHBondContact O-NH1 2.86Å; L136-R160 HydrophobicContact CD2-CB 4.44Å; L136-R160 CarbonylContact O-C 3.59Å; L136-R160 VanDerWaalsContact O-CA 3.26Å; L136-R160 WeakPolarHBondContact O-CA 3.17Å; R160-F185 HydrophobicContact CG-CD1 4.27Å; R160-F185 HydrophobicContact CG-CE1 3.96Å |
| 161 | G | 92 | Very high | 93.1 | Very high | 29 Ų | 29 | 64 Ų | 64 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 6.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L136 K159 R181 | L136-G161 PolarHBondContact O-N 3.44Å; K159-G161 PolarHBondContact O-N 2.97Å; G161-R181 PolarHBondContact O-NH2 2.98Å |
| 162 | A | 93.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 22% | 0.223 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -58.4 | 150.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S137 K159 R181 | S137-A162 PolarHBondContact OG-O 2.92Å; K159-A162 VanDerWaalsContact O-CB 3.27Å; K159-A162 WeakPolarHBondContact O-CB 3.47Å; K159-A162 PolarHBondContact O-N 3.23Å; A162-R181 PolarHBondContact O-NH1 3.31Å; A162-R181 PolarHBondContact O-NH2 2.88Å |
| 163 | K | 90.4 | Very high | 93.1 | Very high | 123 Ų | 123 | 63.4 Ų | 63.4 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -100.8 | -21 | 177.9 | -69.5 | 177.7 | -178.2 | 177.7 | 0 | 112.5 | R140 | R140-K163 HydrophobicContact CG-CB 3.92Å; R140-K163 HydrophobicContact CG-CD 4.1Å; R140-K163 HydrophobicContact CG-CG 4.11Å |
| 164 | V | 88.9 | Confident | 93.3 | Very high | 91 Ų | 91 | 63.5 Ų | 63.5 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | trans | -146.4 | 144.1 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 106.3 | E166 | V164-E166 HydrophobicContact CG1-CG 4.21Š| ||
| 165 | F | 92.7 | Very high | 93.5 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 13% | 0.127 | 33% | 0.325 | C | S | . | . | trans | -138.6 | 122.2 | 173.4 | 177.3 | -115.8 | 0 | 0 | 0 | 108.5 | I115 D153 K157 C158 K169 | I115-F165 HydrophobicContact CD1-CB 3.26Å; I115-F165 HydrophobicContact CD1-CD1 3.68Å; I115-F165 HydrophobicContact CD1-CG 3.82Å; I115-F165 HydrophobicContact CG2-CD1 4.49Å; D153-F165 HydrophobicContact CB-CE1 4.37Å; D153-F165 HydrophobicContact CB-CZ 4.43Å; K157-F165 HydrophobicContact CB-CE2 4.11Å; K157-F165 HydrophobicContact CB-CZ 4.38Å; C158-F165 HydrophobicContact CB-CD2 3.75Å; C158-F165 HydrophobicContact CB-CE1 4.47Å; C158-F165 HydrophobicContact CB-CE2 3.71Å; C158-F165 HydrophobicContact CB-CG 4.17Å; C158-F165 HydrophobicContact CB-CZ 4.06Å; F165-K169 HydrophobicContact CD1-CB 4.4Å; F165-K169 HydrophobicContact CE1-CB 4.29Å | ||
| 166 | E | 90.1 | Very high | 93.9 | Very high | 184 Ų | 184 | 60.3 Ų | 60.3 | 86% | 0.86 | 32% | 0.316 | S | S | * | . | trans | -105 | 1.4 | -177.3 | -62.5 | 177.7 | 176.1 | 0 | 0 | 112.2 | V164 | V164-E166 HydrophobicContact CG1-CG 4.21Š| ||
| 167 | G | 90.4 | Very high | 94.2 | Very high | 32 Ų | 32 | 57.4 Ų | 57.4 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -74.4 | -177.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | K169 | G167-K169 PolarHBondContact O-N 3.43Š|
| 168 | I | 89.7 | Confident | 94.4 | Very high | 91 Ų | 91 | 53.7 Ų | 53.7 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | trans | -67.8 | 122 | 180 | -64.3 | 178.1 | 0 | 0 | 0 | 109.7 | I154 E155 | I154-I168 HydrophobicContact CD1-CG2 4.08Å; I154-I168 HydrophobicContact CG1-CG2 4.19Å; E155-I168 HydrophobicContact CG-CB 4.41Å | ||
| 169 | K | 93 | Very high | 94.3 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.5 | 180 | 71.5 | -174.2 | -168.5 | -176.5 | 0 | 110.2 | E113 Y151 F165 G167 | E113-K169 IonicContact OE1-NZ 2.67Å; E113-K169 PolarHBondContact OE1-NZ 2.93Å; E113-K169 IonicContact OE2-NZ 3.18Å; E113-K169 PolarHBondContact OE2-NZ 3.41Å; Y151-K169 HydrophobicContact CD1-CB 4.15Å; Y151-K169 HydrophobicContact CD1-CD 3.98Å; Y151-K169 HydrophobicContact CD1-CG 3.72Å; Y151-K169 HydrophobicContact CE1-CD 4.31Å; Y151-K169 HydrophobicContact CE1-CG 4.26Å; Y151-K169 HydrophobicContact CG-CB 4.29Å; Y151-K169 HydrophobicContact CG-CD 4.1Å; Y151-K169 HydrophobicContact CG-CG 4.17Å; F165-K169 HydrophobicContact CD1-CB 4.4Å; F165-K169 HydrophobicContact CE1-CB 4.29Å; G167-K169 PolarHBondContact O-N 3.43Å |
| 170 | V | 95.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 122.7 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | F4 Y151 S152 I154 I172 M335 | F4-V170 HydrophobicContact CD1-CG1 3.66Å; F4-V170 HydrophobicContact CE1-CG1 3.43Å; F4-V170 VanDerWaalsContact CE1-CG1 3.43Å; Y151-V170 CarbonylContact C-O 3.47Å; Y151-V170 WeakPolarHBondContact CA-O 3.48Å; S152-V170 PolarHBondContact N-O 2.82Å; S152-V170 PolarHBondContact O-N 3.47Å; I154-V170 HydrophobicContact CD1-CG2 3.83Å; I154-V170 HydrophobicContact CG1-CG2 4.23Å; I154-V170 HydrophobicContact CG2-CB 4.38Å; I154-V170 HydrophobicContact CG2-CG2 3.81Å; V170-I172 PolarHBondContact O-N 3.31Å; V170-M335 HydrophobicContact CB-CE 4.44Å; V170-M335 HydrophobicContact CB-SD 4.18Å; V170-M335 HydrophobicContact CG1-CE 4.27Å; V170-M335 HydrophobicContact CG1-SD 3.73Å; V170-M335 HydrophobicContact CG2-SD 4.1Å |
| 171 | F | 97.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 125.7 | 176.8 | 179.4 | -108.7 | 0 | 0 | 0 | 110.6 | I107 K109 Y151 G173 N174 V202 | I107-F171 HydrophobicContact CB-CE1 4.12Å; I107-F171 HydrophobicContact CB-CZ 4.4Å; I107-F171 HydrophobicContact CG2-CE1 3.96Å; I107-F171 HydrophobicContact CG2-CZ 3.74Å; K109-F171 HydrophobicContact CG-CD2 4.15Å; K109-F171 HydrophobicContact CG-CE2 4.02Å; K109-F171 HydrophobicContact CG-CZ 4.25Å; Y151-F171 HydrophobicContact CD1-CB 3.97Å; Y151-F171 HydrophobicContact CD1-CD2 4.36Å; Y151-F171 HydrophobicContact CE1-CB 3.78Å; Y151-F171 AromaticContact CE1-CD2 3.92Å; Y151-F171 HydrophobicContact CE1-CD2 3.92Å; Y151-F171 HydrophobicContact CE1-CG 4.33Å; F171-G173 VanDerWaalsContact CE2-O 3.3Å; F171-G173 WeakPolarHBondContact CE2-O 3.44Å; F171-G173 VanDerWaalsContact CZ-C 3.45Å; F171-G173 VanDerWaalsContact CZ-CA 3.44Å; F171-N174 WeakPolarHBondContact CE2-OD1 3.41Å; F171-N174 WeakPolarHBondContact CZ-OD1 3.11Å; F171-V202 HydrophobicContact CD1-CG2 3.86Å; F171-V202 HydrophobicContact CE1-CG2 3.98Å |
| 172 | I | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -6.4 | -178.1 | 58.3 | 175.1 | 0 | 0 | 0 | 113.2 | V116 V124 L125 V150 V170 V202 | V116-I172 HydrophobicContact CG2-CD1 3.86Å; V124-I172 HydrophobicContact CB-CD1 3.98Å; V124-I172 HydrophobicContact CG1-CB 4.46Å; V124-I172 HydrophobicContact CG1-CD1 3.91Å; V124-I172 HydrophobicContact CG1-CG1 4.29Å; V124-I172 HydrophobicContact CG2-CD1 4.29Å; L125-I172 HydrophobicContact CD1-CG2 4.28Å; L125-I172 HydrophobicContact CD2-CB 4.22Å; L125-I172 HydrophobicContact CD2-CG2 4.06Å; L125-I172 HydrophobicContact CG-CG2 4.12Å; V150-I172 HydrophobicContact CB-CD1 4.43Å; V150-I172 HydrophobicContact CB-CG1 4.06Å; V150-I172 HydrophobicContact CG1-CD1 3.84Å; V150-I172 HydrophobicContact CG1-CG1 4.01Å; V150-I172 VanDerWaalsContact O-CG1 3.3Å; V150-I172 WeakPolarHBondContact O-CG1 3.28Å; V150-I172 PolarHBondContact O-N 2.84Å; V170-I172 PolarHBondContact O-N 3.31Å; I172-V202 PolarHBondContact O-N 2.68Å |
| 173 | G | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.6 | -177.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V150 F171 E200 | V150-G173 PolarHBondContact N-O 3.01Å; F171-G173 VanDerWaalsContact CE2-O 3.3Å; F171-G173 WeakPolarHBondContact CE2-O 3.44Å; F171-G173 VanDerWaalsContact CZ-C 3.45Å; F171-G173 VanDerWaalsContact CZ-CA 3.44Å; G173-E200 CarbonylContact C-O 3.59Å; G173-E200 WeakPolarHBondContact CA-O 3.41Å |
| 174 | N | 98.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 155.5 | 171.6 | -58.8 | -30.9 | 0 | 0 | 0 | 112 | I107 K108 H110 V148 S149 F171 M198 T199 E200 | I107-N174 WeakPolarHBondContact CG2-ND2 3.3Å; K108-N174 PolarHBondContact O-ND2 2.92Å; H110-N174 VanDerWaalsContact CD2-CG 3.45Å; H110-N174 PolarHBondContact NE2-ND2 3.32Å; V148-N174 CarbonylContact O-C 3.46Å; V148-N174 WeakPolarHBondContact O-CA 3.36Å; V148-N174 WeakPolarHBondContact O-CB 3.45Å; S149-N174 PolarHBondContact OG-OD1 2.62Å; F171-N174 WeakPolarHBondContact CE2-OD1 3.41Å; F171-N174 WeakPolarHBondContact CZ-OD1 3.11Å; N174-M198 WeakPolarHBondContact O-CE 3.44Å; N174-T199 PolarHBondContact O-N 2.97Å; N174-E200 HydrophobicContact CB-CB 4.16Å; N174-E200 PolarHBondContact N-O 2.79Å; N174-E200 PolarHBondContact ND2-OE2 2.79Å; N174-E200 PolarHBondContact O-N 2.84Å |
| 175 | G | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V148 R197 | V148-G175 WeakPolarHBondContact CG2-O 3.18Å; V148-G175 PolarHBondContact N-O 2.86Å; V148-G175 PolarHBondContact O-N 3.16Å; G175-R197 CarbonylContact C-O 3.56Å; G175-R197 WeakPolarHBondContact CA-O 3.45Å |
| 176 | I | 98.3 | Very high | 94.1 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 21% | 0.205 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.6 | 173.4 | -63.1 | 165.6 | 0 | 0 | 0 | 107.8 | D146 L147 I196 R197 T199 | D146-I176 WeakPolarHBondContact O-CA 3Å; L147-I176 HydrophobicContact CD2-CG1 3.74Å; I176-I196 WeakPolarHBondContact O-CA 3.25Å; I176-I196 WeakPolarHBondContact O-CG2 3.45Å; I176-R197 PolarHBondContact N-O 3.4Å; I176-R197 PolarHBondContact O-N 3.35Å; I176-T199 HydrophobicContact CD1-CG2 3.79Å; I176-T199 HydrophobicContact CG1-CG2 3.98Å |
| 177 | S | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126.6 | 174.2 | -159.1 | 0 | 0 | 0 | 0 | 110.3 | A144 G145 D146 L179 I196 | A144-S177 CarbonylContact C-O 3.41Å; A144-S177 WeakPolarHBondContact CA-O 3.47Å; G145-S177 PolarHBondContact N-O 3.13Å; D146-S177 PolarHBondContact O-N 3.19Å; S177-L179 PolarHBondContact OG-O 3.25Å; S177-I196 WeakPolarHBondContact OG-CD1 3.3Å |
| 178 | E | 96.8 | Very high | 92 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -84.6 | -19.2 | 173.2 | -59.4 | -55.2 | 140.5 | 0 | 0 | 111.5 | A144 M194 G195 R197 | A144-E178 WeakPolarHBondContact CB-O 3.41Å; E178-M194 HydrophobicContact CG-CG 4.17Å; E178-M194 HydrophobicContact CG-SD 4.2Å; E178-G195 PolarHBondContact N-O 3.4Å; E178-R197 HydrophobicContact CG-CB 4.49Å; E178-R197 WeakPolarHBondContact OE1-CB 3.45Å; E178-R197 IonicContact OE1-CZ 3.39Å; E178-R197 IonicContact OE1-NE 2.71Å; E178-R197 IonicContact OE1-NH1 3.71Å; E178-R197 PolarHBondContact OE1-NH1 3.02Å; E178-R197 IonicContact OE1-NH2 2.7Å; E178-R197 PolarHBondContact OE1-NH2 2.55Å; E178-R197 IonicContact OE2-NH1 3.83Å; E178-R197 PolarHBondContact OE2-NH1 3.45Å |
| 179 | L | 94.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -130.5 | 153.2 | -174.6 | -61 | 172.8 | 0 | 0 | 0 | 110.9 | V132 S177 E183 I184 L191 | V132-L179 HydrophobicContact CG2-CD1 3.38Å; S177-L179 PolarHBondContact OG-O 3.25Å; L179-E183 HydrophobicContact CB-CB 4.2Å; L179-E183 HydrophobicContact CD2-CB 4.33Å; L179-I184 HydrophobicContact CB-CD1 4.28Å; L179-I184 HydrophobicContact CB-CG1 3.85Å; L179-I184 HydrophobicContact CD1-CG1 4.32Å; L179-L191 HydrophobicContact CD1-CD1 4.16Å |
| 180 | S | 94.9 | Very high | 88.9 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | trans | -76.4 | 164.1 | 166.7 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | L142 N182 E183 I184 | L142-S180 WeakPolarHBondContact O-CA 3.42Å; S180-N182 PolarHBondContact O-N 2.86Å; S180-E183 WeakPolarHBondContact CA-OE2 3.48Å; S180-E183 VanDerWaalsContact CB-OE2 3.24Å; S180-E183 WeakPolarHBondContact CB-OE2 3.27Å; S180-E183 PolarHBondContact N-OE2 2.9Å; S180-E183 PolarHBondContact O-N 3.13Å; S180-E183 WeakPolarHBondContact OG-CG 3.47Å; S180-E183 PolarHBondContact OG-N 3.25Å; S180-E183 PolarHBondContact OG-OE2 2.89Å; S180-I184 WeakPolarHBondContact O-CG1 3.48Å; S180-I184 PolarHBondContact O-N 2.9Å; S180-I184 VanDerWaalsContact O-N 3.13Å | ||
| 181 | R | 94.1 | Very high | 87.9 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.4 | -40.4 | 173.5 | 179.3 | 174.5 | 177.8 | 90.2 | 3.1 | 112.8 | T138 L142 G161 A162 E183 I184 F185 | T138-R181 PolarHBondContact O-NH1 3.21Å; T138-R181 WeakPolarHBondContact OG1-CD 3.45Å; T138-R181 WeakPolarHBondContact OG1-CG 3.3Å; T138-R181 PolarHBondContact OG1-NH1 3.48Å; L142-R181 HydrophobicContact CB-CB 4.28Å; L142-R181 PolarHBondContact O-N 3.37Å; L142-R181 VanDerWaalsContact O-N 3.08Å; G161-R181 PolarHBondContact O-NH2 2.98Å; A162-R181 PolarHBondContact O-NH1 3.31Å; A162-R181 PolarHBondContact O-NH2 2.88Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 PolarHBondContact O-N 2.97Å; R181-I184 PolarHBondContact O-N 3.2Å; R181-F185 HydrophobicContact CG-CD2 3.73Å; R181-F185 HydrophobicContact CG-CE2 4.03Å; R181-F185 WeakPolarHBondContact O-CD2 3.44Å; R181-F185 PolarHBondContact O-N 3.44Å; R181-F185 VanDerWaalsContact O-N 3.13Å |
| 182 | N | 91.8 | Very high | 86.8 | Confident | 134 Ų | 134 | 54.6 Ų | 54.6 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.1 | -35.6 | -176.6 | -71.5 | -14 | 0 | 0 | 0 | 111.5 | S180 S186 | S180-N182 PolarHBondContact O-N 2.86Å; N182-S186 WeakPolarHBondContact O-CA 3.39Å; N182-S186 VanDerWaalsContact O-CB 3.31Å; N182-S186 WeakPolarHBondContact O-CB 3.37Å; N182-S186 PolarHBondContact O-N 3.46Å |
| 183 | E | 92.3 | Very high | 86.2 | Confident | 88 Ų | 88 | 56 Ų | 56 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 175.6 | -69.9 | 160.3 | 129.8 | 0 | 0 | 111.3 | L179 S180 R181 F185 S186 L191 | L179-E183 HydrophobicContact CB-CB 4.2Å; L179-E183 HydrophobicContact CD2-CB 4.33Å; S180-E183 WeakPolarHBondContact CA-OE2 3.48Å; S180-E183 VanDerWaalsContact CB-OE2 3.24Å; S180-E183 WeakPolarHBondContact CB-OE2 3.27Å; S180-E183 PolarHBondContact N-OE2 2.9Å; S180-E183 PolarHBondContact O-N 3.13Å; S180-E183 WeakPolarHBondContact OG-CG 3.47Å; S180-E183 PolarHBondContact OG-N 3.25Å; S180-E183 PolarHBondContact OG-OE2 2.89Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 PolarHBondContact O-N 2.97Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 PolarHBondContact O-N 3Å; E183-S186 PolarHBondContact O-N 3.15Å; E183-L191 HydrophobicContact CB-CD1 4.3Å |
| 184 | I | 91.8 | Very high | 86 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | -179.9 | -66.9 | 165.6 | 0 | 0 | 0 | 112.3 | V132 I135 T138 L142 L179 S180 R181 | V132-I184 HydrophobicContact CG1-CG2 4.42Å; I135-I184 HydrophobicContact CB-CG2 4.1Å; I135-I184 HydrophobicContact CD1-CD1 3.95Å; I135-I184 HydrophobicContact CD1-CG1 4.37Å; I135-I184 HydrophobicContact CD1-CG2 4.33Å; I135-I184 HydrophobicContact CG2-CG2 3.91Å; T138-I184 HydrophobicContact CG2-CD1 4.11Å; L142-I184 HydrophobicContact CD2-CD1 4.15Å; L179-I184 HydrophobicContact CB-CD1 4.28Å; L179-I184 HydrophobicContact CB-CG1 3.85Å; L179-I184 HydrophobicContact CD1-CG1 4.32Å; S180-I184 WeakPolarHBondContact O-CG1 3.48Å; S180-I184 PolarHBondContact O-N 2.9Å; S180-I184 VanDerWaalsContact O-N 3.13Å; R181-I184 PolarHBondContact O-N 3.2Å |
| 185 | F | 91.3 | Very high | 85.9 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 21.5 | -176.6 | -55.8 | -66.2 | 0 | 0 | 0 | 113.3 | I135 L136 T138 R160 R181 E183 | I135-F185 HydrophobicContact CG2-CZ 4.12Å; L136-F185 WeakPolarHBondContact O-CE1 3.45Å; L136-F185 WeakPolarHBondContact O-CZ 3.34Å; T138-F185 HydrophobicContact CG2-CE2 4.01Å; T138-F185 HydrophobicContact CG2-CZ 4.28Å; R160-F185 HydrophobicContact CG-CD1 4.27Å; R160-F185 HydrophobicContact CG-CE1 3.96Å; R181-F185 HydrophobicContact CG-CD2 3.73Å; R181-F185 HydrophobicContact CG-CE2 4.03Å; R181-F185 WeakPolarHBondContact O-CD2 3.44Å; R181-F185 PolarHBondContact O-N 3.44Å; R181-F185 VanDerWaalsContact O-N 3.13Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 PolarHBondContact O-N 3Å |
| 186 | S | 84.9 | Confident | 85.9 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -61.5 | 147.8 | 177.3 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | N182 E183 N188 | N182-S186 WeakPolarHBondContact O-CA 3.39Å; N182-S186 VanDerWaalsContact O-CB 3.31Å; N182-S186 WeakPolarHBondContact O-CB 3.37Å; N182-S186 PolarHBondContact O-N 3.46Å; E183-S186 PolarHBondContact O-N 3.15Å; S186-N188 PolarHBondContact O-N 2.9Å; S186-N188 PolarHBondContact OG-N 3.47Å | ||
| 187 | S | 68.8 | Low | 85.8 | Confident | 121 Ų | 121 | 61.2 Ų | 61.2 | 85% | 0.846 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -76.3 | -10 | 177.7 | -46.9 | 0 | 0 | 0 | 0 | 113.5 | G189 | S187-G189 PolarHBondContact O-N 3.29Š|
| 188 | N | 67.3 | Low | 85.8 | Confident | 157 Ų | 157 | 62.1 Ų | 62.1 | 84% | 0.84 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -77.9 | 22.2 | -174.8 | -67 | -9.1 | 0 | 0 | 0 | 114.2 | S186 | S186-N188 PolarHBondContact O-N 2.9Å; S186-N188 PolarHBondContact OG-N 3.47Å |
| 189 | G | 59 | Low | 85.8 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | trans | 93.4 | 160.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S187 L191 | S187-G189 PolarHBondContact O-N 3.29Å; G189-L191 PolarHBondContact O-N 3.08Å | ||
| 190 | P | 58.5 | Low | 85.9 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | trans | -68.5 | 117.2 | -177.6 | 27.2 | -32.1 | 0 | 0 | 0 | 110.4 | N192 | P190-N192 PolarHBondContact O-N 3.38Š| ||
| 191 | L | 74.8 | Confident | 86 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | trans | -61.7 | 129.1 | 163.3 | -66.6 | 172.1 | 0 | 0 | 0 | 108.2 | V132 L179 E183 G189 | V132-L191 VanDerWaalsContact CB-O 3.27Å; V132-L191 WeakPolarHBondContact CB-O 3.11Å; V132-L191 HydrophobicContact CG1-CB 4.28Å; V132-L191 WeakPolarHBondContact CG1-O 3.4Å; V132-L191 HydrophobicContact CG2-CB 4.41Å; L179-L191 HydrophobicContact CD1-CD1 4.16Å; E183-L191 HydrophobicContact CB-CD1 4.3Å; G189-L191 PolarHBondContact O-N 3.08Å | ||
| 192 | N | 73.3 | Confident | 86.1 | Confident | 136 Ų | 136 | 62.8 Ų | 62.8 | 73% | 0.727 | 36% | 0.358 | S | S | * | . | trans | -102 | 45.2 | 178.1 | -71.7 | -33.9 | 0 | 0 | 0 | 111.2 | P190 | P190-N192 PolarHBondContact O-N 3.38Š| ||
| 193 | G | 85.7 | Confident | 86.4 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -116.4 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y131 V132 G195 | Y131-G193 WeakPolarHBondContact CA-O 3.35Å; V132-G193 PolarHBondContact N-O 3Å; G193-G195 PolarHBondContact O-N 3.16Å |
| 194 | M | 93.6 | Very high | 86.5 | Confident | 58 Ų | 58 | 54 Ų | 54 | 29% | 0.286 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 127.2 | 169.3 | -171 | 179.6 | -59.3 | 0 | 0 | 109.1 | H129 E178 R197 | H129-M194 HydrophobicContact CB-CE 4.16Å; H129-M194 HydrophobicContact CB-CG 4.27Å; H129-M194 HydrophobicContact CB-SD 4.24Å; H129-M194 VanDerWaalsContact CD2-CE 3.45Å; H129-M194 WeakPolarHBondContact CD2-CE 3.43Å; E178-M194 HydrophobicContact CG-CG 4.17Å; E178-M194 HydrophobicContact CG-SD 4.2Å; M194-R197 HydrophobicContact SD-CB 3.75Å; M194-R197 HydrophobicContact SD-CG 4.24Å |
| 195 | G | 95.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -50.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V130 E178 G193 | V130-G195 WeakPolarHBondContact O-CA 3.43Å; V130-G195 PolarHBondContact O-N 2.88Å; E178-G195 PolarHBondContact N-O 3.4Å; G193-G195 PolarHBondContact O-N 3.16Å |
| 196 | I | 98 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.4 | 178.2 | -40.7 | -64.5 | 0 | 0 | 0 | 109.5 | V114 V130 I135 V148 V150 I176 S177 M198 | V114-I196 HydrophobicContact CB-CD1 4.49Å; V114-I196 HydrophobicContact CG1-CD1 4.25Å; V114-I196 HydrophobicContact CG1-CG1 4.07Å; V114-I196 HydrophobicContact CG2-CD1 3.83Å; V114-I196 HydrophobicContact CG2-CG1 4.39Å; V130-I196 HydrophobicContact CB-CB 3.83Å; V130-I196 HydrophobicContact CB-CG1 4.02Å; V130-I196 HydrophobicContact CG1-CG1 4.19Å; V130-I196 HydrophobicContact CG2-CB 4.15Å; V130-I196 HydrophobicContact CG2-CG1 4.44Å; V130-I196 PolarHBondContact N-O 3.37Å; V130-I196 PolarHBondContact O-N 3.3Å; I135-I196 HydrophobicContact CD1-CD1 4.35Å; I135-I196 HydrophobicContact CD1-CG1 4.16Å; V148-I196 HydrophobicContact CG2-CD1 4.2Å; V148-I196 HydrophobicContact CG2-CG2 3.67Å; V150-I196 HydrophobicContact CG2-CG2 4.06Å; I176-I196 WeakPolarHBondContact O-CA 3.25Å; I176-I196 WeakPolarHBondContact O-CG2 3.45Å; S177-I196 WeakPolarHBondContact OG-CD1 3.3Å; I196-M198 HydrophobicContact CG2-SD 4.38Å; I196-M198 PolarHBondContact O-N 3.47Å |
| 197 | R | 97.4 | Very high | 87.4 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 109.9 | 167.8 | -177.4 | 176.1 | 58.2 | -111 | -15 | 108.9 | G175 I176 E178 M194 T199 | G175-R197 CarbonylContact C-O 3.56Å; G175-R197 WeakPolarHBondContact CA-O 3.45Å; I176-R197 PolarHBondContact N-O 3.4Å; I176-R197 PolarHBondContact O-N 3.35Å; E178-R197 HydrophobicContact CG-CB 4.49Å; E178-R197 WeakPolarHBondContact OE1-CB 3.45Å; E178-R197 IonicContact OE1-CZ 3.39Å; E178-R197 IonicContact OE1-NE 2.71Å; E178-R197 IonicContact OE1-NH1 3.71Å; E178-R197 PolarHBondContact OE1-NH1 3.02Å; E178-R197 IonicContact OE1-NH2 2.7Å; E178-R197 PolarHBondContact OE1-NH2 2.55Å; E178-R197 IonicContact OE2-NH1 3.83Å; E178-R197 PolarHBondContact OE2-NH1 3.45Å; M194-R197 HydrophobicContact SD-CB 3.75Å; M194-R197 HydrophobicContact SD-CG 4.24Å; R197-T199 PolarHBondContact O-N 3.04Å |
| 198 | M | 97.9 | Very high | 88.7 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 127.6 | 177.2 | -61.4 | -56.7 | -62.3 | 0 | 0 | 110.6 | V124 H129 V130 V150 N174 I196 P201 | V124-M198 HydrophobicContact CG1-CE 3.84Å; V124-M198 HydrophobicContact CG1-CG 4.04Å; V124-M198 HydrophobicContact CG1-SD 4.19Å; H129-M198 PolarHBondContact ND1-N 3.49Å; V130-M198 HydrophobicContact CG2-CG 4.48Å; V130-M198 HydrophobicContact CG2-SD 3.94Å; V150-M198 HydrophobicContact CB-CE 4.29Å; V150-M198 HydrophobicContact CB-SD 4.33Å; V150-M198 HydrophobicContact CG2-CE 4.11Å; V150-M198 HydrophobicContact CG2-SD 3.74Å; N174-M198 WeakPolarHBondContact O-CE 3.44Å; I196-M198 HydrophobicContact CG2-SD 4.38Å; I196-M198 PolarHBondContact O-N 3.47Å; M198-P201 HydrophobicContact CE-CB 4.47Å |
| 199 | T | 96 | Very high | 89.8 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 36% | 0.356 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -33 | -178.7 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | N174 I176 R197 | N174-T199 PolarHBondContact O-N 2.97Å; I176-T199 HydrophobicContact CD1-CG2 3.79Å; I176-T199 HydrophobicContact CG1-CG2 3.98Å; R197-T199 PolarHBondContact O-N 3.04Å |
| 200 | E | 96.3 | Very high | 91.2 | Very high | 86 Ų | 86 | 45.7 Ų | 45.7 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 66.8 | 177.6 | -53.2 | 177.2 | 126.7 | 0 | 0 | 110.2 | I107 G173 N174 | I107-E200 WeakPolarHBondContact CD1-O 3.46Å; I107-E200 HydrophobicContact CG2-CB 4.26Å; G173-E200 CarbonylContact C-O 3.59Å; G173-E200 WeakPolarHBondContact CA-O 3.41Å; N174-E200 HydrophobicContact CB-CB 4.16Å; N174-E200 PolarHBondContact N-O 2.79Å; N174-E200 PolarHBondContact ND2-OE2 2.79Å; N174-E200 PolarHBondContact O-N 2.84Å |
| 201 | P | 97.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 8% | 0.078 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 152.8 | 175.8 | 27.9 | -37.2 | 0 | 0 | 0 | 113.1 | R104 M198 Y203 L204 | R104-P201 PolarHBondContact NE-O 2.99Å; R104-P201 VanDerWaalsContact NH2-CG 3.34Å; R104-P201 VanDerWaalsContact NH2-N 3.12Å; R104-P201 PolarHBondContact NH2-O 3.12Å; M198-P201 HydrophobicContact CE-CB 4.47Å; P201-Y203 VanDerWaalsContact CB-O 3.3Å; P201-Y203 WeakPolarHBondContact CB-O 3.32Å; P201-Y203 WeakPolarHBondContact CG-O 3.45Å; P201-Y203 PolarHBondContact O-N 3.17Å; P201-L204 HydrophobicContact CG-CD1 4.09Å |
| 202 | V | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -60.5 | -38.9 | 175.3 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | F3 F4 P103 R104 I107 F171 I172 | F3-V202 HydrophobicContact CD1-CG1 3.88Å; F3-V202 HydrophobicContact CE1-CB 4.34Å; F3-V202 HydrophobicContact CE1-CG1 3.42Å; F3-V202 VanDerWaalsContact CE1-CG1 3.42Å; F3-V202 HydrophobicContact CE1-CG2 4.01Å; F3-V202 HydrophobicContact CE2-CG1 4.24Å; F3-V202 HydrophobicContact CG-CG1 4.48Å; F3-V202 HydrophobicContact CZ-CB 4.44Å; F3-V202 HydrophobicContact CZ-CG1 3.61Å; F3-V202 HydrophobicContact CZ-CG2 3.88Å; F4-V202 HydrophobicContact CZ-CG1 4.32Å; P103-V202 HydrophobicContact CB-CG1 3.87Å; R104-V202 PolarHBondContact N-O 3.41Å; I107-V202 HydrophobicContact CD1-CG2 4.43Å; F171-V202 HydrophobicContact CD1-CG2 3.86Å; F171-V202 HydrophobicContact CE1-CG2 3.98Å; I172-V202 PolarHBondContact O-N 2.68Å |
| 203 | Y | 96.8 | Very high | 94.7 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -114.2 | 124.1 | 171.5 | -69.9 | -96 | 0 | 0 | 0 | 108.9 | F4 H48 P49 V100 I101 P103 L125 P201 S205 | F4-Y203 HydrophobicContact CD2-CE2 4.38Å; F4-Y203 HydrophobicContact CE2-CD2 4.28Å; F4-Y203 AromaticContact CE2-CE2 3.5Å; F4-Y203 HydrophobicContact CE2-CE2 3.5Å; F4-Y203 VanDerWaalsContact CE2-CE2 3.5Å; F4-Y203 HydrophobicContact CZ-CE2 4.06Å; H48-Y203 PolarHBondContact CD2-OH 3.1Å; H48-Y203 VanDerWaalsContact CD2-OH 3.28Å; P49-Y203 HydrophobicContact CG-CD1 3.5Å; P49-Y203 HydrophobicContact CG-CD2 3.73Å; P49-Y203 HydrophobicContact CG-CE1 3.64Å; P49-Y203 HydrophobicContact CG-CE2 3.88Å; P49-Y203 HydrophobicContact CG-CG 3.54Å; V100-Y203 HydrophobicContact CG1-CD1 3.92Å; V100-Y203 HydrophobicContact CG1-CG 4.4Å; I101-Y203 CarbonylContact O-C 3.53Å; I101-Y203 WeakPolarHBondContact O-CA 3.47Å; P103-Y203 HydrophobicContact CB-CE1 4.2Å; P103-Y203 HydrophobicContact CB-CE2 3.9Å; L125-Y203 HydrophobicContact CD2-CD2 3.82Å; L125-Y203 HydrophobicContact CD2-CE2 4.45Å; P201-Y203 VanDerWaalsContact CB-O 3.3Å; P201-Y203 WeakPolarHBondContact CB-O 3.32Å; P201-Y203 WeakPolarHBondContact CG-O 3.45Å; P201-Y203 PolarHBondContact O-N 3.17Å; Y203-S205 PolarHBondContact O-N 2.98Å |
| 204 | L | 95.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -91.9 | 101.8 | 177.4 | -175 | 70.3 | 0 | 0 | 0 | 108.6 | F79 L82 I101 P201 | F79-L204 HydrophobicContact CD1-CD1 3.84Å; F79-L204 HydrophobicContact CD1-CD2 4.18Å; F79-L204 HydrophobicContact CD1-CG 4.11Å; F79-L204 HydrophobicContact CE1-CD1 3.39Å; F79-L204 HydrophobicContact CE1-CD2 4.2Å; F79-L204 HydrophobicContact CE1-CG 3.64Å; F79-L204 HydrophobicContact CZ-CD1 4.15Å; F79-L204 HydrophobicContact CZ-CG 3.94Å; L82-L204 HydrophobicContact CD2-CD2 3.99Å; I101-L204 HydrophobicContact CB-CB 4.14Å; I101-L204 PolarHBondContact N-O 3.1Å; I101-L204 VanDerWaalsContact N-O 3.12Å; I101-L204 PolarHBondContact O-N 2.82Å; P201-L204 HydrophobicContact CG-CD1 4.09Å |
| 205 | S | 95.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | trans | -121.8 | 148.7 | 170.2 | -52.5 | 0 | 0 | 0 | 0 | 108.5 | V100 G127 Y203 | V100-S205 WeakPolarHBondContact CG1-OG 3.32Å; V100-S205 VanDerWaalsContact CG2-OG 3.25Å; V100-S205 WeakPolarHBondContact CG2-OG 3.17Å; G127-S205 WeakPolarHBondContact CA-O 3.33Å; Y203-S205 PolarHBondContact O-N 2.98Å | ||
| 206 | P | 95.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | trans | -69.1 | 149.9 | -179.8 | 21.9 | -26.9 | 0 | 0 | 0 | 111.4 | I75 F79 I98 F208 | I75-P206 HydrophobicContact CD1-CG 4.25Å; I75-P206 HydrophobicContact CG1-CB 4.04Å; I75-P206 HydrophobicContact CG1-CG 4.21Å; F79-P206 HydrophobicContact CE2-CB 4.16Å; F79-P206 HydrophobicContact CZ-CB 3.94Å; F79-P206 HydrophobicContact CZ-CG 4.48Å; I98-P206 HydrophobicContact CG2-CG 3.97Å; P206-F208 HydrophobicContact CB-CE2 4.19Å; P206-F208 HydrophobicContact CB-CZ 4.48Å; P206-F208 HydrophobicContact CG-CE2 3.71Å; P206-F208 HydrophobicContact CG-CZ 3.92Å; P206-F208 WeakPolarHBondContact O-CD2 3.45Å | ||
| 207 | S | 95.6 | Very high | 95.4 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 8% | 0.077 | 20% | 0.197 | C | C | . | . | trans | -83.2 | 134.6 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | Q78 G127 D209 V211 | Q78-S207 PolarHBondContact NE2-O 2.97Å; Q78-S207 PolarHBondContact OE1-O 3.43Å; G127-S207 WeakPolarHBondContact O-CA 3.26Å; S207-D209 PolarHBondContact OG-N 2.88Å; S207-V211 WeakPolarHBondContact O-CG2 3.28Å | ||
| 208 | F | 94.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 38 Ų | 38 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | trans | -108.9 | 17.7 | 175.9 | -69 | -90.7 | 0 | 0 | 0 | 112.4 | T53 V55 L71 I98 P206 N210 V211 L216 L218 | T53-F208 HydrophobicContact CG2-CD2 4.32Å; T53-F208 HydrophobicContact CG2-CE2 3.49Å; T53-F208 VanDerWaalsContact CG2-CE2 3.49Å; T53-F208 HydrophobicContact CG2-CZ 4.06Å; V55-F208 HydrophobicContact CG1-CD1 3.96Å; V55-F208 HydrophobicContact CG1-CE1 3.4Å; V55-F208 HydrophobicContact CG1-CE2 4.24Å; V55-F208 HydrophobicContact CG1-CZ 3.54Å; L71-F208 HydrophobicContact CD1-CE1 3.69Å; L71-F208 HydrophobicContact CD1-CZ 4.34Å; L71-F208 HydrophobicContact CD2-CE1 4.28Å; I98-F208 HydrophobicContact CD1-CZ 4.09Å; P206-F208 HydrophobicContact CB-CE2 4.19Å; P206-F208 HydrophobicContact CB-CZ 4.48Å; P206-F208 HydrophobicContact CG-CE2 3.71Å; P206-F208 HydrophobicContact CG-CZ 3.92Å; P206-F208 WeakPolarHBondContact O-CD2 3.45Å; F208-N210 PolarHBondContact O-N 3Å; F208-N210 VanDerWaalsContact O-N 3.15Å; F208-V211 HydrophobicContact CD1-CB 4.5Å; F208-V211 PolarHBondContact O-N 2.72Å; F208-L216 HydrophobicContact CD1-CD1 4.11Å; F208-L216 HydrophobicContact CE1-CD1 4.06Å; F208-L218 HydrophobicContact CB-CD1 3.66Å; F208-L218 HydrophobicContact CB-CD2 4.43Å; F208-L218 HydrophobicContact CB-CG 4.03Å; F208-L218 HydrophobicContact CD1-CD2 4.48Å; F208-L218 HydrophobicContact CD2-CD1 4.11Å; F208-L218 HydrophobicContact CD2-CD2 3.65Å; F208-L218 HydrophobicContact CD2-CG 4.19Å; F208-L218 HydrophobicContact CE2-CD2 3.97Å; F208-L218 HydrophobicContact CG-CD1 4.05Å; F208-L218 HydrophobicContact CG-CD2 3.92Å; F208-L218 HydrophobicContact CG-CG 4.03Å | ||
| 209 | D | 89.9 | Confident | 95.4 | Very high | 73 Ų | 73 | 37.8 Ų | 37.8 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 115.2 | 174 | -172.3 | 28 | 0 | 0 | 0 | 110 | Y131 S207 V211 | Y131-D209 VanDerWaalsContact OH-CB 3.28Å; Y131-D209 WeakPolarHBondContact OH-CB 3.45Å; Y131-D209 PolarHBondContact OH-OD2 3.39Å; S207-D209 PolarHBondContact OG-N 2.88Å; D209-V211 PolarHBondContact O-N 3.1Å; D209-V211 VanDerWaalsContact O-N 3.13Å |
| 210 | N | 88.6 | Confident | 95.5 | Very high | 130 Ų | 130 | 37.5 Ų | 37.5 | 70% | 0.695 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 21.1 | -176.7 | -56.4 | -57.7 | 0 | 0 | 0 | 115.6 | F208 L212 | F208-N210 PolarHBondContact O-N 3Å; F208-N210 VanDerWaalsContact O-N 3.15Å; N210-L212 PolarHBondContact O-N 3.3Å |
| 211 | V | 93.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -86.7 | 112.9 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | L71 E74 S207 F208 D209 L216 | L71-V211 HydrophobicContact CD1-CG1 4.23Å; E74-V211 HydrophobicContact CG-CG1 3.82Å; E74-V211 HydrophobicContact CG-CG2 4.04Å; S207-V211 WeakPolarHBondContact O-CG2 3.28Å; F208-V211 HydrophobicContact CD1-CB 4.5Å; F208-V211 PolarHBondContact O-N 2.72Å; D209-V211 PolarHBondContact O-N 3.1Å; D209-V211 VanDerWaalsContact O-N 3.13Å; V211-L216 HydrophobicContact CG1-CD1 4.36Å |
| 212 | L | 94.6 | Very high | 95.7 | Very high | 39 Ų | 39 | 33 Ų | 33 | 20% | 0.204 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 46.6 | 52.9 | 176.3 | -55 | 173.8 | 0 | 0 | 0 | 113.1 | V67 L70 L71 N210 S214 H215 L216 | V67-L212 HydrophobicContact CG1-CD1 4.33Å; L70-L212 HydrophobicContact CB-CD1 3.73Å; L70-L212 HydrophobicContact CB-CD2 4.19Å; L70-L212 HydrophobicContact CD1-CD1 4.45Å; L70-L212 HydrophobicContact CD1-CD2 3.95Å; L71-L212 HydrophobicContact CB-CD1 4.45Å; N210-L212 PolarHBondContact O-N 3.3Å; L212-S214 VanDerWaalsContact C-N 3.26Å; L212-S214 PolarHBondContact O-N 3.18Å; L212-S214 VanDerWaalsContact O-N 3.09Å; L212-H215 HydrophobicContact CB-CB 4.11Å; L212-H215 PolarHBondContact O-N 2.92Å; L212-L216 HydrophobicContact CB-CD1 4.03Å; L212-L216 HydrophobicContact CB-CG 4.08Å; L212-L216 HydrophobicContact CD1-CD1 4.04Å; L212-L216 HydrophobicContact CD1-CG 4.43Å; L212-L216 PolarHBondContact O-N 2.97Å |
| 213 | P | 93.1 | Very high | 95.7 | Very high | 62 Ų | 62 | 33.6 Ų | 33.6 | 40% | 0.403 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.9 | -162.6 | 26.8 | -37 | 0 | 0 | 0 | 114.8 | L281 | P213-L281 HydrophobicContact CB-CD1 4.25Å; P213-L281 HydrophobicContact CB-CD2 4.37Å; P213-L281 WeakPolarHBondContact O-CD2 3.05Å; P213-L281 WeakPolarHBondContact O-CG 3.17Å |
| 214 | S | 95.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 32.9 Ų | 32.9 | 20% | 0.203 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -16.5 | 173.8 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | N58 L212 L281 L282 | N58-S214 WeakPolarHBondContact CB-O 3.42Å; N58-S214 PolarHBondContact ND2-O 3.06Å; L212-S214 VanDerWaalsContact C-N 3.26Å; L212-S214 PolarHBondContact O-N 3.18Å; L212-S214 VanDerWaalsContact O-N 3.09Å; S214-L281 WeakPolarHBondContact CB-O 3.43Å; S214-L282 VanDerWaalsContact O-CD2 3.29Å; S214-L282 WeakPolarHBondContact O-CD2 3.49Å |
| 215 | H | 97.1 | Very high | 95.9 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 20% | 0.204 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -20.8 | -174.3 | -56.8 | 97.9 | 0 | 0 | 0 | 113.4 | V57 N58 A62 V67 L212 | V57-H215 WeakPolarHBondContact CA-O 3.29Å; N58-H215 PolarHBondContact N-O 3.39Å; A62-H215 VanDerWaalsContact CB-CD2 3.49Å; A62-H215 WeakPolarHBondContact CB-CD2 3.35Å; V67-H215 HydrophobicContact CG1-CB 4.46Å; V67-H215 HydrophobicContact CG2-CB 3.95Å; L212-H215 HydrophobicContact CB-CB 4.11Å; L212-H215 PolarHBondContact O-N 2.92Å |
| 216 | L | 97.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 7% | 0.073 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145 | -175.7 | -68.5 | -179 | 0 | 0 | 0 | 112 | V55 R56 V57 V67 L71 F208 V211 L212 | V55-L216 HydrophobicContact CB-CD2 4.11Å; V55-L216 HydrophobicContact CG2-CD2 3.88Å; R56-L216 WeakPolarHBondContact O-CA 3.44Å; V57-L216 HydrophobicContact CG2-CD2 4.43Å; V67-L216 HydrophobicContact CG1-CD2 3.45Å; V67-L216 VanDerWaalsContact CG1-CD2 3.45Å; V67-L216 HydrophobicContact CG1-CG 4.06Å; L71-L216 HydrophobicContact CD1-CD1 4.07Å; L71-L216 HydrophobicContact CD2-CD1 4.25Å; F208-L216 HydrophobicContact CD1-CD1 4.11Å; F208-L216 HydrophobicContact CE1-CD1 4.06Å; V211-L216 HydrophobicContact CG1-CD1 4.36Å; L212-L216 HydrophobicContact CB-CD1 4.03Å; L212-L216 HydrophobicContact CB-CG 4.08Å; L212-L216 HydrophobicContact CD1-CD1 4.04Å; L212-L216 HydrophobicContact CD1-CG 4.43Å; L212-L216 PolarHBondContact O-N 2.97Å |
| 217 | F | 97.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 31.4 Ų | 31.4 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 122.2 | 165.8 | -164.6 | -76.2 | 0 | 0 | 0 | 109.1 | R56 Q219 N278 L282 | R56-F217 PolarHBondContact N-O 3.22Å; R56-F217 PolarHBondContact O-N 3.46Å; F217-Q219 HydrophobicContact CD1-CB 4.03Å; F217-Q219 PolarHBondContact O-N 3.15Å; F217-Q219 VanDerWaalsContact O-N 3.14Å; F217-N278 HydrophobicContact CE2-CB 4.48Å; F217-L282 HydrophobicContact CD2-CD1 4.12Å |
| 218 | L | 97.8 | Very high | 96.4 | Very high | 97 Ų | 97 | 32.8 Ų | 32.8 | 51% | 0.508 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 112.3 | 173.2 | -85.2 | 172.8 | 0 | 0 | 0 | 109.9 | T53 V55 F208 | T53-L218 HydrophobicContact CG2-CD2 3.85Å; V55-L218 HydrophobicContact CG1-CD2 3.66Å; V55-L218 HydrophobicContact CG1-CG 4.41Å; F208-L218 HydrophobicContact CB-CD1 3.66Å; F208-L218 HydrophobicContact CB-CD2 4.43Å; F208-L218 HydrophobicContact CB-CG 4.03Å; F208-L218 HydrophobicContact CD1-CD2 4.48Å; F208-L218 HydrophobicContact CD2-CD1 4.11Å; F208-L218 HydrophobicContact CD2-CD2 3.65Å; F208-L218 HydrophobicContact CD2-CG 4.19Å; F208-L218 HydrophobicContact CE2-CD2 3.97Å; F208-L218 HydrophobicContact CG-CD1 4.05Å; F208-L218 HydrophobicContact CG-CD2 3.92Å; F208-L218 HydrophobicContact CG-CG 4.03Å |
| 219 | Q | 97.8 | Very high | 96.6 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | trans | -146.1 | 129.2 | -175.8 | -161.4 | 161.7 | -12.1 | 0 | 0 | 109.6 | T54 R56 F217 S223 V224 G247 | T54-Q219 CarbonylContact C-O 3.54Å; T54-Q219 VanDerWaalsContact CB-O 3.26Å; T54-Q219 WeakPolarHBondContact CB-O 3.35Å; T54-Q219 WeakPolarHBondContact CG2-O 3.47Å; T54-Q219 PolarHBondContact O-N 3.08Å; T54-Q219 VanDerWaalsContact O-O 3.12Å; R56-Q219 HydrophobicContact CB-CB 4.38Å; F217-Q219 HydrophobicContact CD1-CB 4.03Å; F217-Q219 PolarHBondContact O-N 3.15Å; F217-Q219 VanDerWaalsContact O-N 3.14Å; Q219-S223 PolarHBondContact NE2-O 3.07Å; Q219-V224 HydrophobicContact CB-CG2 3.79Å; Q219-V224 HydrophobicContact CG-CG2 3.64Å; Q219-G247 PolarHBondContact OE1-O 3.33Å | ||
| 220 | N | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 27.9 Ų | 27.9 | 28% | 0.278 | 15% | 0.151 | S | C | . | . | trans | -64 | 143.3 | 175.9 | -57.5 | -54.3 | 0 | 0 | 0 | 110.1 | R126 S223 V224 I456 | R126-N220 PolarHBondContact NH2-OD1 2.79Å; N220-S223 WeakPolarHBondContact O-CA 3.39Å; N220-S223 WeakPolarHBondContact O-CB 3.19Å; N220-S223 PolarHBondContact O-N 3.37Å; N220-V224 PolarHBondContact O-N 3.33Å; N220-I456 HydrophobicContact CB-CD1 3.86Å; N220-I456 HydrophobicContact CB-CG1 4.15Å | ||
| 221 | L | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -44.8 | -53.5 | -179.1 | 171.9 | 74.3 | 0 | 0 | 0 | 113.9 | T54 I92 I95 S223 V224 V225 V403 A451 N452 | T54-L221 HydrophobicContact CG2-CB 4.26Å; I92-L221 HydrophobicContact CD1-CD1 3.42Å; I92-L221 VanDerWaalsContact CD1-CD1 3.42Å; I95-L221 HydrophobicContact CD1-CD1 3.24Å; L221-S223 PolarHBondContact O-N 2.95Å; L221-S223 VanDerWaalsContact O-N 3.16Å; L221-V224 PolarHBondContact O-N 2.88Å; L221-V225 HydrophobicContact CD1-CG2 4.41Å; L221-V225 WeakPolarHBondContact O-CG2 3.24Å; L221-V225 PolarHBondContact O-N 3Å; L221-V225 VanDerWaalsContact O-N 3.08Å; L221-V403 HydrophobicContact CD2-CG1 4.36Å; L221-A451 WeakPolarHBondContact CD2-O 3.31Å; L221-N452 WeakPolarHBondContact CD2-OD1 3.49Å |
| 222 | P | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.5 | -32.3 | 179.5 | -25.9 | 35.8 | 0 | 0 | 0 | 113.6 | V224 V225 V226 F424 C455 I456 F458 | P222-V224 VanDerWaalsContact C-N 3.31Å; P222-V224 PolarHBondContact O-N 3.35Å; P222-V225 PolarHBondContact O-N 3.42Å; P222-V226 WeakPolarHBondContact O-CG2 3.37Å; P222-V226 PolarHBondContact O-N 3.2Å; P222-F424 HydrophobicContact CB-CD1 4.31Å; P222-F424 HydrophobicContact CB-CD2 3.75Å; P222-F424 HydrophobicContact CB-CE1 4.27Å; P222-F424 HydrophobicContact CB-CE2 3.74Å; P222-F424 HydrophobicContact CB-CG 4.03Å; P222-F424 HydrophobicContact CB-CZ 4Å; P222-F424 HydrophobicContact CG-CB 4.25Å; P222-F424 HydrophobicContact CG-CD1 3.68Å; P222-F424 HydrophobicContact CG-CD2 3.95Å; P222-F424 HydrophobicContact CG-CE1 3.9Å; P222-F424 HydrophobicContact CG-CE2 4.18Å; P222-F424 HydrophobicContact CG-CG 3.67Å; P222-F424 HydrophobicContact CG-CZ 4.15Å; P222-C455 HydrophobicContact CG-CB 4.28Å; P222-I456 HydrophobicContact CG-CG1 4.16Å; P222-F458 HydrophobicContact CB-CB 3.54Å; P222-F458 HydrophobicContact CB-CD1 3.56Å; P222-F458 HydrophobicContact CB-CD2 4.02Å; P222-F458 HydrophobicContact CB-CE1 4.28Å; P222-F458 HydrophobicContact CB-CG 3.42Å; P222-F458 VanDerWaalsContact CB-CG 3.42Å; P222-F458 HydrophobicContact CG-CB 3.99Å; P222-F458 HydrophobicContact CG-CG 4.34Å |
| 223 | S | 98.2 | Very high | 97.9 | Very high | 13 Ų | 13 | 27 Ų | 27 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.8 | -23.3 | 178.6 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | Q219 N220 L221 F458 | Q219-S223 PolarHBondContact NE2-O 3.07Å; N220-S223 WeakPolarHBondContact O-CA 3.39Å; N220-S223 WeakPolarHBondContact O-CB 3.19Å; N220-S223 PolarHBondContact O-N 3.37Å; L221-S223 PolarHBondContact O-N 2.95Å; L221-S223 VanDerWaalsContact O-N 3.16Å; S223-F458 WeakPolarHBondContact OG-CE2 3.33Å |
| 224 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -78.9 | -42.6 | 171.3 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | R56 I92 I95 Q219 N220 L221 P222 V226 S227 H228 H251 | R56-V224 HydrophobicContact CB-CG2 4.22Å; I92-V224 HydrophobicContact CG2-CG1 3.95Å; I95-V224 HydrophobicContact CG2-CB 4.05Å; I95-V224 HydrophobicContact CG2-CG1 3.53Å; I95-V224 HydrophobicContact CG2-CG2 3.89Å; Q219-V224 HydrophobicContact CB-CG2 3.79Å; Q219-V224 HydrophobicContact CG-CG2 3.64Å; N220-V224 PolarHBondContact O-N 3.33Å; L221-V224 PolarHBondContact O-N 2.88Å; P222-V224 VanDerWaalsContact C-N 3.31Å; P222-V224 PolarHBondContact O-N 3.35Å; V224-V226 PolarHBondContact O-N 3.2Å; V224-S227 PolarHBondContact O-N 3.45Å; V224-S227 VanDerWaalsContact O-N 3.12Å; V224-H228 PolarHBondContact O-N 2.9Å; V224-H251 WeakPolarHBondContact CG1-CE1 3.48Å; V224-H251 PolarHBondContact O-CE1 3.49Å |
| 225 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -53.8 | -38.1 | 177.3 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | I92 L221 P222 S227 H228 I229 V403 F424 I460 | I92-V225 HydrophobicContact CD1-CG2 3.4Å; I92-V225 HydrophobicContact CG1-CG2 4.33Å; L221-V225 HydrophobicContact CD1-CG2 4.41Å; L221-V225 WeakPolarHBondContact O-CG2 3.24Å; L221-V225 PolarHBondContact O-N 3Å; L221-V225 VanDerWaalsContact O-N 3.08Å; P222-V225 PolarHBondContact O-N 3.42Å; V225-S227 PolarHBondContact O-N 3.41Å; V225-H228 PolarHBondContact O-N 2.86Å; V225-I229 HydrophobicContact CG1-CD1 3.33Å; V225-I229 HydrophobicContact CG1-CG1 4.06Å; V225-I229 WeakPolarHBondContact O-CD1 3.48Å; V225-I229 VanDerWaalsContact O-CG1 3.28Å; V225-I229 WeakPolarHBondContact O-CG1 3.29Å; V225-I229 PolarHBondContact O-N 3.1Å; V225-V403 HydrophobicContact CG2-CG2 4.3Å; V225-F424 HydrophobicContact CG1-CZ 4.42Å; V225-I460 HydrophobicContact CB-CD1 4.38Å; V225-I460 HydrophobicContact CG1-CD1 3.83Å |
| 226 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51.6 | -48.1 | 175.6 | 170.5 | 0 | 0 | 0 | 0 | 113.5 | P222 V224 I229 L230 K248 L321 V369 F458 I460 | P222-V226 WeakPolarHBondContact O-CG2 3.37Å; P222-V226 PolarHBondContact O-N 3.2Å; V224-V226 PolarHBondContact O-N 3.2Å; V226-I229 PolarHBondContact O-N 2.96Å; V226-L230 PolarHBondContact O-N 2.9Å; V226-K248 HydrophobicContact CB-CD 4.19Å; V226-K248 HydrophobicContact CG1-CD 3.81Å; V226-L321 HydrophobicContact CG1-CD1 3.4Å; V226-L321 VanDerWaalsContact CG1-CD1 3.4Å; V226-L321 HydrophobicContact CG1-CD2 4.34Å; V226-V369 HydrophobicContact CG1-CG1 4.06Å; V226-F458 HydrophobicContact CG2-CE1 3.41Å; V226-F458 VanDerWaalsContact CG2-CE1 3.41Å; V226-F458 HydrophobicContact CG2-CZ 3.83Å; V226-I460 HydrophobicContact CG2-CD1 3.64Å; V226-I460 HydrophobicContact CG2-CG1 3.92Å; V226-I460 HydrophobicContact CG2-CG2 4.46Å |
| 227 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.4 | -35.9 | -176.7 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | V224 V225 L230 N231 P232 H251 | V224-S227 PolarHBondContact O-N 3.45Å; V224-S227 VanDerWaalsContact O-N 3.12Å; V225-S227 PolarHBondContact O-N 3.41Å; S227-L230 PolarHBondContact O-N 3.32Å; S227-N231 PolarHBondContact O-N 3.41Å; S227-N231 VanDerWaalsContact O-N 3.16Å; S227-P232 WeakPolarHBondContact O-CD 3.35Å; S227-H251 WeakPolarHBondContact CB-ND1 3.35Å; S227-H251 PolarHBondContact OG-ND1 3.12Å |
| 228 | H | 98.7 | Very high | 98.5 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 18% | 0.181 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 172.2 | -75.7 | -71.7 | 0 | 0 | 0 | 111.8 | D94 V224 V225 L230 N231 H251 | D94-H228 VanDerWaalsContact CG-NE2 3.32Å; D94-H228 IonicContact OD1-CD2 3.3Å; D94-H228 IonicContact OD1-CE1 3.17Å; D94-H228 IonicContact OD1-NE2 2.7Å; D94-H228 PolarHBondContact OD1-NE2 3.47Å; D94-H228 IonicContact OD2-CE1 3.08Å; D94-H228 PolarHBondContact OD2-CE1 3.3Å; D94-H228 IonicContact OD2-NE2 3.69Å; D94-H228 PolarHBondContact OD2-NE2 3.23Å; V224-H228 PolarHBondContact O-N 2.9Å; V225-H228 PolarHBondContact O-N 2.86Å; H228-L230 VanDerWaalsContact C-N 3.33Å; H228-L230 PolarHBondContact O-N 3.17Å; H228-N231 WeakPolarHBondContact O-CA 3.32Å; H228-N231 WeakPolarHBondContact O-CB 3.39Å; H228-N231 PolarHBondContact O-N 2.99Å; H228-H251 AromaticContact CD2-CE1 3.68Å; H228-H251 AromaticContact NE2-CE1 3.62Å; H228-H251 AromaticContact NE2-NE2 3.65Å |
| 229 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 177.8 | -69.9 | 163.2 | 0 | 0 | 0 | 112 | V225 V226 N231 V369 Q399 Q422 I460 K462 | V225-I229 HydrophobicContact CG1-CD1 3.33Å; V225-I229 HydrophobicContact CG1-CG1 4.06Å; V225-I229 WeakPolarHBondContact O-CD1 3.48Å; V225-I229 VanDerWaalsContact O-CG1 3.28Å; V225-I229 WeakPolarHBondContact O-CG1 3.29Å; V225-I229 PolarHBondContact O-N 3.1Å; V226-I229 PolarHBondContact O-N 2.96Å; I229-N231 PolarHBondContact O-N 3.46Å; I229-V369 HydrophobicContact CG2-CG2 4.01Å; I229-Q399 HydrophobicContact CD1-CB 4.29Å; I229-Q399 HydrophobicContact CG1-CB 4.18Å; I229-Q399 HydrophobicContact CG2-CB 4.08Å; I229-Q399 HydrophobicContact CG2-CG 4Å; I229-Q422 VanDerWaalsContact CD1-NE2 3.25Å; I229-I460 HydrophobicContact CD1-CB 4.4Å; I229-I460 HydrophobicContact CD1-CD1 3.62Å; I229-I460 HydrophobicContact CD1-CG2 3.86Å; I229-I460 HydrophobicContact CG2-CG2 4.34Å; I229-K462 HydrophobicContact CG2-CB 4.1Å; I229-K462 HydrophobicContact CG2-CD 3.84Å; I229-K462 HydrophobicContact CG2-CG 4.33Å; I229-K462 WeakPolarHBondContact O-CE 3.49Å; I229-K462 PolarHBondContact O-NZ 3.34Å |
| 230 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -33.8 | 173 | -169 | 65.3 | 0 | 0 | 0 | 110.7 | V226 S227 H228 I238 L252 R319 L321 V367 V369 | V226-L230 PolarHBondContact O-N 2.9Å; S227-L230 PolarHBondContact O-N 3.32Å; H228-L230 VanDerWaalsContact C-N 3.33Å; H228-L230 PolarHBondContact O-N 3.17Å; L230-I238 HydrophobicContact CD2-CG2 3.95Å; L230-L252 HydrophobicContact CB-CD2 4.28Å; L230-L252 HydrophobicContact CD2-CD1 3.92Å; L230-L252 HydrophobicContact CD2-CD2 3.49Å; L230-L252 VanDerWaalsContact CD2-CD2 3.49Å; L230-L252 HydrophobicContact CD2-CG 4.36Å; L230-L252 HydrophobicContact CG-CD2 4.38Å; L230-R319 HydrophobicContact CD1-CB 3.87Å; L230-R319 HydrophobicContact CD2-CB 4.44Å; L230-R319 HydrophobicContact CG-CB 4.17Å; L230-R319 WeakPolarHBondContact O-CD 3.47Å; L230-R319 PolarHBondContact O-NE 3.38Å; L230-L321 HydrophobicContact CD2-CB 3.97Å; L230-V367 HydrophobicContact CD1-CG1 4.11Å; L230-V369 HydrophobicContact CB-CG2 3.99Å; L230-V369 HydrophobicContact CD1-CB 3.9Å; L230-V369 HydrophobicContact CD1-CG2 3.55Å; L230-V369 HydrophobicContact CG-CG2 4.4Å |
| 231 | N | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 21 Ų | 21 | 47% | 0.465 | 12% | 0.122 | S | C | . | . | trans | 50.9 | 58.2 | 175.7 | -171 | 23.3 | 0 | 0 | 0 | 112.7 | S227 H228 I229 Q233 R319 | S227-N231 PolarHBondContact O-N 3.41Å; S227-N231 VanDerWaalsContact O-N 3.16Å; H228-N231 WeakPolarHBondContact O-CA 3.32Å; H228-N231 WeakPolarHBondContact O-CB 3.39Å; H228-N231 PolarHBondContact O-N 2.99Å; I229-N231 PolarHBondContact O-N 3.46Å; N231-Q233 PolarHBondContact O-NE2 3.24Å; N231-Q233 PolarHBondContact OD1-NE2 3.45Å; N231-R319 PolarHBondContact O-NE 3.18Å; N231-R319 PolarHBondContact O-NH2 3.39Å | ||
| 232 | P | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.032 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -67 | 140.7 | 179.8 | 34.4 | -38.9 | 0 | 0 | 0 | 110.4 | S227 I238 L252 L255 M256 | S227-P232 WeakPolarHBondContact O-CD 3.35Å; P232-I238 HydrophobicContact CB-CD1 3.93Å; P232-I238 HydrophobicContact CB-CG1 4.11Å; P232-L252 HydrophobicContact CB-CD2 4.43Å; P232-L252 HydrophobicContact CG-CD2 3.79Å; P232-L255 HydrophobicContact CG-CB 3.9Å; P232-L255 HydrophobicContact CG-CD1 4.22Å; P232-M256 HydrophobicContact CB-CG 3.64Å; P232-M256 HydrophobicContact CB-SD 3.8Å; P232-M256 HydrophobicContact CG-CG 3.96Å; P232-M256 HydrophobicContact CG-SD 4.46Å |
| 233 | Q | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 22.3 Ų | 22.3 | 35% | 0.35 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -102.7 | 147.9 | 177.2 | -52.5 | -60.5 | -63.8 | 0 | 0 | 111.2 | N231 G235 E236 | N231-Q233 PolarHBondContact O-NE2 3.24Å; N231-Q233 PolarHBondContact OD1-NE2 3.45Å; Q233-G235 PolarHBondContact O-N 3.27Å; Q233-E236 VanDerWaalsContact CB-CD 3.46Å; Q233-E236 HydrophobicContact CB-CG 3.95Å; Q233-E236 WeakPolarHBondContact CG-OE1 3.44Å; Q233-E236 PolarHBondContact N-OE2 3.42Å; Q233-E236 WeakPolarHBondContact O-CB 3.46Å; Q233-E236 WeakPolarHBondContact O-CG 3.42Å; Q233-E236 PolarHBondContact O-N 3.48Å; Q233-E236 VanDerWaalsContact O-N 3.16Å |
| 234 | P | 98.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 22.8 Ų | 22.8 | 43% | 0.429 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 131.3 | 170.1 | -28.6 | 36.7 | 0 | 0 | 0 | 112.3 | Q259 | P234-Q259 HydrophobicContact CB-CB 4.09Š|
| 235 | G | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 26.2 Ų | 26.2 | 60% | 0.598 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -9.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q233 Q259 | Q233-G235 PolarHBondContact O-N 3.27Å; G235-Q259 PolarHBondContact N-O 3.42Å |
| 236 | E | 98.7 | Very high | 98 | Very high | 36 Ų | 36 | 26.2 Ų | 26.2 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | trans | -74.2 | 161.9 | 177.1 | -68.7 | -179.7 | 158.9 | 0 | 0 | 112.9 | Q233 I238 M256 E261 D318 R319 | Q233-E236 VanDerWaalsContact CB-CD 3.46Å; Q233-E236 HydrophobicContact CB-CG 3.95Å; Q233-E236 WeakPolarHBondContact CG-OE1 3.44Å; Q233-E236 PolarHBondContact N-OE2 3.42Å; Q233-E236 WeakPolarHBondContact O-CB 3.46Å; Q233-E236 WeakPolarHBondContact O-CG 3.42Å; Q233-E236 PolarHBondContact O-N 3.48Å; Q233-E236 VanDerWaalsContact O-N 3.16Å; E236-I238 HydrophobicContact CB-CD1 3.86Å; E236-M256 HydrophobicContact CB-CE 4.46Å; E236-M256 WeakPolarHBondContact O-CE 3.5Å; E236-E261 PolarHBondContact O-N 2.99Å; E236-D318 HydrophobicContact CB-CB 4.09Å; E236-D318 HydrophobicContact CG-CB 4.23Å; E236-R319 VanDerWaalsContact CD-CZ 3.45Å; E236-R319 IonicContact OE1-CZ 2.86Å; E236-R319 IonicContact OE1-NH1 2.68Å; E236-R319 PolarHBondContact OE1-NH1 3.3Å; E236-R319 IonicContact OE1-NH2 3.83Å; E236-R319 PolarHBondContact OE1-NH2 3.13Å; E236-R319 VanDerWaalsContact OE1-NH2 3.08Å; E236-R319 IonicContact OE2-CZ 3.48Å; E236-R319 IonicContact OE2-NE 2.87Å; E236-R319 PolarHBondContact OE2-NE 3.05Å; E236-R319 IonicContact OE2-NH1 3.78Å; E236-R319 PolarHBondContact OE2-NH1 3.4Å; E236-R319 IonicContact OE2-NH2 3.76Å; E236-R319 PolarHBondContact OE2-NH2 2.93Å | ||
| 237 | R | 98.6 | Very high | 98 | Very high | 54 Ų | 54 | 26.6 Ų | 26.6 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113 | 173 | -169.6 | 173.3 | -175.9 | -115.5 | -0.4 | 110.4 | E261 S316 F317 D318 | R237-E261 WeakPolarHBondContact CA-O 3.49Å; R237-E261 VanDerWaalsContact CD-OE2 3.3Å; R237-E261 WeakPolarHBondContact CD-OE2 3.31Å; R237-E261 HydrophobicContact CG-CB 4.28Å; R237-E261 WeakPolarHBondContact CG-OE2 3.42Å; R237-E261 IonicContact CZ-OE2 2.96Å; R237-E261 IonicContact NE-OE2 2.64Å; R237-E261 PolarHBondContact NE-OE2 3.34Å; R237-E261 IonicContact NH2-OE2 3.18Å; R237-S316 PolarHBondContact NH1-O 2.71Å; R237-S316 PolarHBondContact NH1-OG 2.88Å; R237-F317 HydrophobicContact CG-CD1 3.76Å; R237-F317 HydrophobicContact CG-CE1 3.88Å; R237-D318 WeakPolarHBondContact CB-OD2 3.42Å; R237-D318 PolarHBondContact N-OD2 3.42Å; R237-D318 PolarHBondContact O-N 2.84Å |
| 238 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.2 | -172.6 | -45 | -64.3 | 0 | 0 | 0 | 110.5 | L230 P232 E236 L252 M256 E261 V262 I263 R319 | L230-I238 HydrophobicContact CD2-CG2 3.95Å; P232-I238 HydrophobicContact CB-CD1 3.93Å; P232-I238 HydrophobicContact CB-CG1 4.11Å; E236-I238 HydrophobicContact CB-CD1 3.86Å; I238-L252 HydrophobicContact CG2-CD1 3.96Å; I238-M256 HydrophobicContact CD1-SD 4.48Å; I238-M256 HydrophobicContact CG1-CE 3.96Å; I238-M256 HydrophobicContact CG1-SD 3.54Å; I238-M256 VanDerWaalsContact CG1-SD 3.54Å; I238-E261 PolarHBondContact N-O 2.7Å; I238-V262 HydrophobicContact CB-CG2 4.47Å; I238-I263 PolarHBondContact O-N 3.32Å; I238-R319 WeakPolarHBondContact CA-O 3.48Å; I238-R319 HydrophobicContact CD1-CB 3.66Å; I238-R319 HydrophobicContact CD1-CG 3.77Å; I238-R319 HydrophobicContact CG2-CB 4.44Å |
| 239 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125 | 172.7 | -175.4 | 62.7 | 0 | 0 | 0 | 111.1 | M241 I263 M265 F312 F317 R319 I320 L321 L361 | L239-M241 HydrophobicContact CD2-CG 3.69Å; L239-M241 HydrophobicContact CD2-SD 4.4Å; L239-M241 HydrophobicContact CG-CG 3.85Å; L239-I263 WeakPolarHBondContact CA-O 3.31Å; L239-I263 HydrophobicContact CD1-CB 3.78Å; L239-I263 HydrophobicContact CD1-CG2 3.52Å; L239-M265 HydrophobicContact CD1-CE 3.88Å; L239-M265 HydrophobicContact CD1-CG 4.38Å; L239-M265 HydrophobicContact CD1-SD 4.41Å; L239-M265 HydrophobicContact CD2-CE 4.22Å; L239-M265 HydrophobicContact CG-CE 4.38Å; L239-F312 HydrophobicContact CD1-CE2 4.2Å; L239-F317 HydrophobicContact CB-CD1 3.6Å; L239-F317 HydrophobicContact CB-CD2 4.23Å; L239-F317 HydrophobicContact CB-CE1 3.73Å; L239-F317 HydrophobicContact CB-CE2 4.33Å; L239-F317 HydrophobicContact CB-CG 3.86Å; L239-F317 HydrophobicContact CB-CZ 4.09Å; L239-F317 HydrophobicContact CD1-CE1 4.15Å; L239-F317 HydrophobicContact CD1-CE2 4.43Å; L239-F317 HydrophobicContact CD1-CZ 3.92Å; L239-F317 HydrophobicContact CD2-CD2 4.14Å; L239-F317 HydrophobicContact CD2-CE2 3.96Å; L239-F317 HydrophobicContact CD2-CZ 4.27Å; L239-F317 HydrophobicContact CG-CE1 4.42Å; L239-F317 HydrophobicContact CG-CE2 4.49Å; L239-F317 HydrophobicContact CG-CZ 4.33Å; L239-R319 PolarHBondContact N-O 3.02Å; L239-I320 HydrophobicContact CB-CG1 4.03Å; L239-I320 HydrophobicContact CB-CG2 4.32Å; L239-I320 HydrophobicContact CD2-CD1 4.27Å; L239-I320 HydrophobicContact CD2-CG2 4.42Å; L239-I320 CarbonylContact O-C 3.58Å; L239-I320 WeakPolarHBondContact O-CA 3.35Å; L239-L321 PolarHBondContact O-N 3.37Å; L239-L361 HydrophobicContact CD2-CD1 3.72Å |
| 240 | D | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 105.5 | 163.7 | -173.9 | -11.9 | 0 | 0 | 0 | 108.9 | C242 A243 T249 I263 M265 | D240-C242 VanDerWaalsContact C-N 3.34Å; D240-C242 PolarHBondContact O-N 3.47Å; D240-C242 PolarHBondContact OD1-N 3.37Å; D240-A243 HydrophobicContact CB-CB 4.06Å; D240-A243 WeakPolarHBondContact OD1-CA 3.26Å; D240-A243 PolarHBondContact OD1-N 2.99Å; D240-A243 WeakPolarHBondContact OD2-CA 3.44Å; D240-T249 PolarHBondContact OD2-N 2.83Å; D240-T249 PolarHBondContact OD2-OG1 3.37Å; D240-I263 PolarHBondContact N-O 3.17Å; D240-M265 PolarHBondContact O-N 3.01Å |
| 241 | M | 98 | Very high | 98 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -20.3 | -169.5 | -68.2 | -171.7 | 71.9 | 0 | 0 | 114.3 | L239 M265 G294 I320 L321 L322 L354 V357 A358 | L239-M241 HydrophobicContact CD2-CG 3.69Å; L239-M241 HydrophobicContact CD2-SD 4.4Å; L239-M241 HydrophobicContact CG-CG 3.85Å; M241-M265 CarbonylContact C-O 3.58Å; M241-M265 HydrophobicContact CB-CE 4.41Å; M241-M265 HydrophobicContact CG-CE 4.26Å; M241-G294 WeakPolarHBondContact CE-O 3.4Å; M241-I320 HydrophobicContact CG-CG2 3.97Å; M241-I320 HydrophobicContact SD-CG2 3.95Å; M241-L321 PolarHBondContact N-O 2.95Å; M241-L321 VanDerWaalsContact N-O 3.08Å; M241-L322 HydrophobicContact CB-CD1 4.14Å; M241-L322 HydrophobicContact SD-CD1 4.34Å; M241-L354 HydrophobicContact CE-CD2 4.26Å; M241-V357 HydrophobicContact CE-CB 3.99Å; M241-V357 HydrophobicContact CE-CG1 3.76Å; M241-A358 HydrophobicContact SD-CB 3.54Å; M241-A358 VanDerWaalsContact SD-CB 3.54Å |
| 242 | C | 97.3 | Very high | 98.1 | Very high | 26 Ų | 26 | 21.3 Ų | 21.3 | 18% | 0.176 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.5 | 59.6 | -173.1 | -71.7 | 0 | 0 | 0 | 0 | 109.1 | D240 A244 M265 D323 | D240-C242 VanDerWaalsContact C-N 3.34Å; D240-C242 PolarHBondContact O-N 3.47Å; D240-C242 PolarHBondContact OD1-N 3.37Å; C242-A244 PolarHBondContact O-N 3.48Å; C242-M265 WeakPolarHBondContact CA-O 3.44Å; C242-M265 PolarHBondContact N-O 2.79Å; C242-D323 WeakPolarHBondContact CB-O 3.35Å |
| 243 | A | 96.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 21.1 Ų | 21.1 | 5% | 0.05 | 13% | 0.133 | C | C | . | . | trans | -76.7 | -22.3 | -156.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D240 G246 T249 A264 M265 I275 | D240-A243 HydrophobicContact CB-CB 4.06Å; D240-A243 WeakPolarHBondContact OD1-CA 3.26Å; D240-A243 PolarHBondContact OD1-N 2.99Å; D240-A243 WeakPolarHBondContact OD2-CA 3.44Å; A243-G246 WeakPolarHBondContact O-CA 3.4Å; A243-G246 PolarHBondContact O-N 3.22Å; A243-T249 VanDerWaalsContact CB-OG1 3.32Å; A243-T249 WeakPolarHBondContact CB-OG1 3.38Å; A243-A264 HydrophobicContact CB-CB 3.74Å; A243-M265 PolarHBondContact N-O 2.86Å; A243-I275 HydrophobicContact CB-CD1 3.58Å | ||
| 244 | A | 94 | Very high | 98.1 | Very high | 22 Ų | 22 | 17.6 Ų | 17.6 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 140.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C242 D266 K271 I275 | C242-A244 PolarHBondContact O-N 3.48Å; A244-D266 HydrophobicContact CB-CB 4.02Å; A244-D266 WeakPolarHBondContact CB-OD2 3.47Å; A244-K271 HydrophobicContact CB-CB 3.52Å; A244-K271 HydrophobicContact CB-CD 3.81Å; A244-K271 HydrophobicContact CB-CG 4.04Å; A244-I275 HydrophobicContact CB-CD1 4.04Å; A244-I275 HydrophobicContact CB-CG1 4.2Å |
| 245 | P | 95.9 | Very high | 98.1 | Very high | 72 Ų | 72 | 16.3 Ų | 16.3 | 47% | 0.468 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88.9 | 13.4 | 8.1 | 35.7 | -37.3 | 0 | 0 | 0 | 115.2 | K274 N278 | P245-K274 HydrophobicContact CB-CG 3.94Å; P245-N278 PolarHBondContact O-ND2 2.91Å |
| 246 | G | 96.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | 102.4 | 11.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A243 T250 | A243-G246 WeakPolarHBondContact O-CA 3.4Å; A243-G246 PolarHBondContact O-N 3.22Å; G246-T250 WeakPolarHBondContact O-CB 3.31Å; G246-T250 VanDerWaalsContact O-CG2 3.29Å; G246-T250 WeakPolarHBondContact O-CG2 3.38Å; G246-T250 PolarHBondContact O-N 2.94Å; G246-T250 PolarHBondContact O-OG1 2.98Å | ||
| 247 | G | 98.2 | Very high | 98.1 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 8% | 0.082 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.5 | -47.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R56 Q219 T250 H251 | R56-G247 PolarHBondContact NH2-O 3Å; Q219-G247 PolarHBondContact OE1-O 3.33Å; G247-T250 PolarHBondContact O-OG1 3.3Å; G247-H251 WeakPolarHBondContact O-CB 3.25Å; G247-H251 PolarHBondContact O-N 2.83Å |
| 248 | K | 98.8 | Very high | 98.1 | Very high | 17 Ų | 17 | 16.1 Ų | 16.1 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -72.4 | -44.1 | 175.1 | -61.5 | -174.5 | 180 | 75.2 | 0 | 111.1 | V226 T250 H251 L252 L321 D323 | V226-K248 HydrophobicContact CB-CD 4.19Å; V226-K248 HydrophobicContact CG1-CD 3.81Å; K248-T250 PolarHBondContact O-N 3.2Å; K248-H251 CarbonylContact O-C 3.49Å; K248-H251 WeakPolarHBondContact O-CA 3.45Å; K248-H251 WeakPolarHBondContact O-CB 3.37Å; K248-H251 PolarHBondContact O-N 3Å; K248-H251 VanDerWaalsContact O-N 3.07Å; K248-L252 WeakPolarHBondContact O-CG 3.37Å; K248-L252 PolarHBondContact O-N 2.93Å; K248-L321 HydrophobicContact CB-CD2 3.65Å; K248-L321 HydrophobicContact CD-CD2 3.77Å; K248-L321 HydrophobicContact CG-CD2 4.35Å; K248-D323 HydrophobicContact CD-CB 4.1Å; K248-D323 WeakPolarHBondContact CE-OD1 3.28Å; K248-D323 IonicContact NZ-OD1 3.72Å; K248-D323 PolarHBondContact NZ-OD1 3.09Å; K248-D323 VanDerWaalsContact NZ-OD1 3.1Å; K248-D323 IonicContact NZ-OD2 3.35Å; K248-D323 PolarHBondContact NZ-OD2 3.24Å |
| 249 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -52.3 | -51.7 | 175.8 | -40.3 | 0 | 0 | 0 | 0 | 113.3 | D240 A243 H251 L252 A253 V262 A264 I287 | D240-T249 PolarHBondContact OD2-N 2.83Å; D240-T249 PolarHBondContact OD2-OG1 3.37Å; A243-T249 VanDerWaalsContact CB-OG1 3.32Å; A243-T249 WeakPolarHBondContact CB-OG1 3.38Å; T249-H251 VanDerWaalsContact C-N 3.28Å; T249-H251 PolarHBondContact O-N 3.39Å; T249-L252 PolarHBondContact O-N 3.37Å; T249-A253 PolarHBondContact O-N 2.78Å; T249-A253 VanDerWaalsContact O-N 3.13Å; T249-V262 HydrophobicContact CG2-CG1 3.66Å; T249-A264 HydrophobicContact CG2-CB 3.49Å; T249-A264 VanDerWaalsContact CG2-CB 3.49Å; T249-I287 HydrophobicContact CG2-CD1 4.4Å; T249-I287 HydrophobicContact CG2-CG2 3.87Å |
| 250 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.4 | -32.2 | 179.1 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | R56 G246 G247 K248 T254 N278 L282 L284 I287 | R56-T250 PolarHBondContact NH2-OG1 2.94Å; G246-T250 WeakPolarHBondContact O-CB 3.31Å; G246-T250 VanDerWaalsContact O-CG2 3.29Å; G246-T250 WeakPolarHBondContact O-CG2 3.38Å; G246-T250 PolarHBondContact O-N 2.94Å; G246-T250 PolarHBondContact O-OG1 2.98Å; G247-T250 PolarHBondContact O-OG1 3.3Å; K248-T250 PolarHBondContact O-N 3.2Å; T250-T254 WeakPolarHBondContact O-CB 3.43Å; T250-T254 PolarHBondContact O-N 3.31Å; T250-T254 PolarHBondContact O-OG1 2.98Å; T250-N278 HydrophobicContact CG2-CB 4.48Å; T250-L282 HydrophobicContact CG2-CD1 4.03Å; T250-L284 HydrophobicContact CG2-CD1 3.96Å; T250-L284 VanDerWaalsContact O-CD1 3.29Å; T250-L284 WeakPolarHBondContact O-CD1 3.36Å; T250-I287 HydrophobicContact CG2-CD1 3.84Å |
| 251 | H | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 173.3 | -170.2 | -166.8 | 0 | 0 | 0 | 112.2 | D94 V224 S227 H228 G247 K248 T249 A253 T254 L255 | D94-H251 IonicContact OD1-NE2 2.78Å; D94-H251 IonicContact OD2-CD2 2.63Å; D94-H251 IonicContact OD2-CE1 2.78Å; D94-H251 IonicContact OD2-NE2 3.17Å; D94-H251 PolarHBondContact OD2-NE2 3.06Å; V224-H251 WeakPolarHBondContact CG1-CE1 3.48Å; V224-H251 PolarHBondContact O-CE1 3.49Å; S227-H251 WeakPolarHBondContact CB-ND1 3.35Å; S227-H251 PolarHBondContact OG-ND1 3.12Å; H228-H251 AromaticContact CD2-CE1 3.68Å; H228-H251 AromaticContact NE2-CE1 3.62Å; H228-H251 AromaticContact NE2-NE2 3.65Å; G247-H251 WeakPolarHBondContact O-CB 3.25Å; G247-H251 PolarHBondContact O-N 2.83Å; K248-H251 CarbonylContact O-C 3.49Å; K248-H251 WeakPolarHBondContact O-CA 3.45Å; K248-H251 WeakPolarHBondContact O-CB 3.37Å; K248-H251 PolarHBondContact O-N 3Å; K248-H251 VanDerWaalsContact O-N 3.07Å; T249-H251 VanDerWaalsContact C-N 3.28Å; T249-H251 PolarHBondContact O-N 3.39Å; H251-A253 VanDerWaalsContact C-N 3.34Å; H251-A253 PolarHBondContact O-N 3.47Å; H251-T254 WeakPolarHBondContact O-CB 3.48Å; H251-T254 PolarHBondContact O-N 3.3Å; H251-T254 VanDerWaalsContact O-N 3.11Å; H251-L255 WeakPolarHBondContact O-CG 3.39Å; H251-L255 PolarHBondContact O-N 3.32Å |
| 252 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57 | -48 | 174.7 | -66 | 174.1 | 0 | 0 | 0 | 111.3 | L230 P232 I238 K248 T249 T254 L255 M256 L321 | L230-L252 HydrophobicContact CB-CD2 4.28Å; L230-L252 HydrophobicContact CD2-CD1 3.92Å; L230-L252 HydrophobicContact CD2-CD2 3.49Å; L230-L252 VanDerWaalsContact CD2-CD2 3.49Å; L230-L252 HydrophobicContact CD2-CG 4.36Å; L230-L252 HydrophobicContact CG-CD2 4.38Å; P232-L252 HydrophobicContact CB-CD2 4.43Å; P232-L252 HydrophobicContact CG-CD2 3.79Å; I238-L252 HydrophobicContact CG2-CD1 3.96Å; K248-L252 WeakPolarHBondContact O-CG 3.37Å; K248-L252 PolarHBondContact O-N 2.93Å; T249-L252 PolarHBondContact O-N 3.37Å; L252-T254 VanDerWaalsContact C-N 3.31Å; L252-T254 PolarHBondContact O-N 3.02Å; L252-L255 PolarHBondContact O-N 3.08Å; L252-M256 VanDerWaalsContact O-CG 3.28Å; L252-M256 WeakPolarHBondContact O-CG 3.47Å; L252-M256 PolarHBondContact O-N 3.31Å; L252-L321 HydrophobicContact CD1-CB 4.41Å; L252-L321 HydrophobicContact CD1-CD2 4.04Å |
| 253 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.9 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T249 H251 M256 H257 D258 V262 L284 C286 I287 | T249-A253 PolarHBondContact O-N 2.78Å; T249-A253 VanDerWaalsContact O-N 3.13Å; H251-A253 VanDerWaalsContact C-N 3.34Å; H251-A253 PolarHBondContact O-N 3.47Å; A253-M256 PolarHBondContact O-N 3.34Å; A253-H257 PolarHBondContact O-N 2.92Å; A253-D258 PolarHBondContact O-N 3.05Å; A253-V262 HydrophobicContact CB-CG2 4.14Å; A253-L284 HydrophobicContact CB-CB 4.3Å; A253-L284 HydrophobicContact CB-CD1 4.14Å; A253-L284 HydrophobicContact CB-CD2 3.97Å; A253-L284 HydrophobicContact CB-CG 4.37Å; A253-C286 WeakPolarHBondContact CB-SG 3.41Å; A253-I287 HydrophobicContact CB-CD1 3.72Å; A253-I287 HydrophobicContact CB-CG1 3.65Å |
| 254 | T | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | T59 H60 T250 H251 L252 M256 H257 | T59-T254 WeakPolarHBondContact OG1-CG2 3.49Å; H60-T254 HydrophobicContact CB-CG2 4.35Å; T250-T254 WeakPolarHBondContact O-CB 3.43Å; T250-T254 PolarHBondContact O-N 3.31Å; T250-T254 PolarHBondContact O-OG1 2.98Å; H251-T254 WeakPolarHBondContact O-CB 3.48Å; H251-T254 PolarHBondContact O-N 3.3Å; H251-T254 VanDerWaalsContact O-N 3.11Å; L252-T254 VanDerWaalsContact C-N 3.31Å; L252-T254 PolarHBondContact O-N 3.02Å; T254-M256 VanDerWaalsContact C-N 3.26Å; T254-M256 PolarHBondContact O-N 2.93Å; T254-H257 PolarHBondContact O-N 3.38Å |
| 255 | L | 98.6 | Very high | 98.4 | Very high | 39 Ų | 39 | 22.6 Ų | 22.6 | 20% | 0.204 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.4 | -29.1 | 178.2 | -68.6 | 175.5 | 0 | 0 | 0 | 112.6 | P232 H251 L252 H257 | P232-L255 HydrophobicContact CG-CB 3.9Å; P232-L255 HydrophobicContact CG-CD1 4.22Å; H251-L255 WeakPolarHBondContact O-CG 3.39Å; H251-L255 PolarHBondContact O-N 3.32Å; L252-L255 PolarHBondContact O-N 3.08Å; L255-H257 PolarHBondContact O-N 3.05Å |
| 256 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 4.5 | 174.2 | -65.7 | 168 | 66.2 | 0 | 0 | 113.2 | P232 E236 I238 L252 A253 T254 D258 Q259 V262 | P232-M256 HydrophobicContact CB-CG 3.64Å; P232-M256 HydrophobicContact CB-SD 3.8Å; P232-M256 HydrophobicContact CG-CG 3.96Å; P232-M256 HydrophobicContact CG-SD 4.46Å; E236-M256 HydrophobicContact CB-CE 4.46Å; E236-M256 WeakPolarHBondContact O-CE 3.5Å; I238-M256 HydrophobicContact CD1-SD 4.48Å; I238-M256 HydrophobicContact CG1-CE 3.96Å; I238-M256 HydrophobicContact CG1-SD 3.54Å; I238-M256 VanDerWaalsContact CG1-SD 3.54Å; L252-M256 VanDerWaalsContact O-CG 3.28Å; L252-M256 WeakPolarHBondContact O-CG 3.47Å; L252-M256 PolarHBondContact O-N 3.31Å; A253-M256 PolarHBondContact O-N 3.34Å; T254-M256 VanDerWaalsContact C-N 3.26Å; T254-M256 PolarHBondContact O-N 2.93Å; M256-D258 PolarHBondContact O-N 2.93Å; M256-Q259 VanDerWaalsContact CE-O 3.32Å; M256-Q259 WeakPolarHBondContact CE-O 3.43Å; M256-Q259 WeakPolarHBondContact O-CB 3.47Å; M256-Q259 PolarHBondContact O-N 3.37Å; M256-V262 HydrophobicContact CE-CG2 4.32Å; M256-V262 HydrophobicContact SD-CG2 3.67Å |
| 257 | H | 98.4 | Very high | 98.5 | Very high | 125 Ų | 125 | 26.8 Ų | 26.8 | 58% | 0.579 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 35.5 | -174.3 | -55.4 | -64.7 | 0 | 0 | 0 | 113.4 | A253 T254 L255 Q259 | A253-H257 PolarHBondContact O-N 2.92Å; T254-H257 PolarHBondContact O-N 3.38Å; L255-H257 PolarHBondContact O-N 3.05Å; H257-Q259 PolarHBondContact O-N 3.22Å; H257-Q259 VanDerWaalsContact O-N 3.13Å |
| 258 | D | 98.6 | Very high | 98.5 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 22.2 | -174.3 | -154.5 | 40.9 | 0 | 0 | 0 | 113.8 | A253 M256 L284 N285 C286 | A253-D258 PolarHBondContact O-N 3.05Å; M256-D258 PolarHBondContact O-N 2.93Å; D258-L284 HydrophobicContact CB-CD2 4.34Å; D258-N285 VanDerWaalsContact CG-N 3.27Å; D258-N285 PolarHBondContact OD1-N 2.79Å; D258-N285 WeakPolarHBondContact OD2-CB 3.5Å; D258-N285 PolarHBondContact OD2-N 2.81Å; D258-N285 PolarHBondContact OD2-ND2 2.97Å; D258-C286 WeakPolarHBondContact OD1-CB 3.48Å; D258-C286 PolarHBondContact OD1-N 3.26Å; D258-C286 PolarHBondContact OD1-SG 3.3Å |
| 259 | Q | 98.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 32.6 Ų | 32.6 | 56% | 0.556 | 17% | 0.174 | S | C | * | . | trans | -108.3 | 123 | 177.4 | -60.2 | -57.1 | -55 | 0 | 0 | 111.1 | P234 G235 M256 H257 | P234-Q259 HydrophobicContact CB-CB 4.09Å; G235-Q259 PolarHBondContact N-O 3.42Å; M256-Q259 VanDerWaalsContact CE-O 3.32Å; M256-Q259 WeakPolarHBondContact CE-O 3.43Å; M256-Q259 WeakPolarHBondContact O-CB 3.47Å; M256-Q259 PolarHBondContact O-N 3.37Å; H257-Q259 PolarHBondContact O-N 3.22Å; H257-Q259 VanDerWaalsContact O-N 3.13Å | ||
| 260 | G | 97.9 | Very high | 98.3 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 38% | 0.381 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 116.9 | -148.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C286 | G260-C286 WeakPolarHBondContact O-CB 3.47Š|
| 261 | E | 98.4 | Very high | 98.3 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 125.3 | 179.5 | -174.7 | 177.1 | -124 | 0 | 0 | 111.4 | E236 R237 I238 I263 K288 | E236-E261 PolarHBondContact O-N 2.99Å; R237-E261 WeakPolarHBondContact CA-O 3.49Å; R237-E261 VanDerWaalsContact CD-OE2 3.3Å; R237-E261 WeakPolarHBondContact CD-OE2 3.31Å; R237-E261 HydrophobicContact CG-CB 4.28Å; R237-E261 WeakPolarHBondContact CG-OE2 3.42Å; R237-E261 IonicContact CZ-OE2 2.96Å; R237-E261 IonicContact NE-OE2 2.64Å; R237-E261 PolarHBondContact NE-OE2 3.34Å; R237-E261 IonicContact NH2-OE2 3.18Å; I238-E261 PolarHBondContact N-O 2.7Å; E261-I263 VanDerWaalsContact CD-CD1 3.46Å; E261-I263 HydrophobicContact CG-CD1 3.6Å; E261-I263 HydrophobicContact CG-CG1 4.12Å; E261-K288 HydrophobicContact CG-CD 4.49Å; E261-K288 WeakPolarHBondContact OE1-CD 3.45Å; E261-K288 WeakPolarHBondContact OE1-CE 3.06Å; E261-K288 IonicContact OE1-NZ 2.74Å; E261-K288 PolarHBondContact OE1-NZ 3.49Å |
| 262 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 104.3 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | I238 T249 A253 M256 C286 I287 K288 | I238-V262 HydrophobicContact CB-CG2 4.47Å; T249-V262 HydrophobicContact CG2-CG1 3.66Å; A253-V262 HydrophobicContact CB-CG2 4.14Å; M256-V262 HydrophobicContact CE-CG2 4.32Å; M256-V262 HydrophobicContact SD-CG2 3.67Å; V262-C286 PolarHBondContact N-O 2.78Å; V262-I287 HydrophobicContact CB-CG1 4.24Å; V262-I287 CarbonylContact O-C 3.58Å; V262-I287 WeakPolarHBondContact O-CA 3.31Å; V262-K288 PolarHBondContact O-N 3.1Å |
| 263 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.3 | 174.6 | -56.8 | -55.2 | 0 | 0 | 0 | 109 | I238 L239 D240 E261 M265 K288 F290 F312 F317 | I238-I263 PolarHBondContact O-N 3.32Å; L239-I263 WeakPolarHBondContact CA-O 3.31Å; L239-I263 HydrophobicContact CD1-CB 3.78Å; L239-I263 HydrophobicContact CD1-CG2 3.52Å; D240-I263 PolarHBondContact N-O 3.17Å; E261-I263 VanDerWaalsContact CD-CD1 3.46Å; E261-I263 HydrophobicContact CG-CD1 3.6Å; E261-I263 HydrophobicContact CG-CG1 4.12Å; I263-M265 HydrophobicContact CG2-CG 4.45Å; I263-K288 HydrophobicContact CD1-CB 3.89Å; I263-K288 HydrophobicContact CD1-CD 4.15Å; I263-K288 HydrophobicContact CD1-CG 4.44Å; I263-F290 HydrophobicContact CD1-CE2 4.22Å; I263-F290 HydrophobicContact CG2-CD2 4.1Å; I263-F290 HydrophobicContact CG2-CE2 4.23Å; I263-F312 HydrophobicContact CG2-CE1 4.5Å; I263-F312 HydrophobicContact CG2-CE2 3.87Å; I263-F312 HydrophobicContact CG2-CZ 3.52Å; I263-F317 HydrophobicContact CB-CE1 3.98Å; I263-F317 HydrophobicContact CB-CZ 4.31Å; I263-F317 HydrophobicContact CG1-CE1 3.65Å; I263-F317 HydrophobicContact CG1-CZ 4.06Å |
| 264 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A243 T249 I275 I287 K288 A289 F290 | A243-A264 HydrophobicContact CB-CB 3.74Å; T249-A264 HydrophobicContact CG2-CB 3.49Å; T249-A264 VanDerWaalsContact CG2-CB 3.49Å; A264-I275 HydrophobicContact CB-CG2 4.13Å; A264-I287 HydrophobicContact CB-CG2 4.34Å; A264-K288 PolarHBondContact N-O 3.01Å; A264-A289 HydrophobicContact CB-CB 4.16Å; A264-A289 CarbonylContact O-C 3.59Å; A264-A289 VanDerWaalsContact O-CA 3.29Å; A264-A289 WeakPolarHBondContact O-CA 3.41Å; A264-F290 PolarHBondContact O-N 3.33Å |
| 265 | M | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.8 | 177.8 | -63.2 | -170.6 | -55.5 | 0 | 0 | 111.9 | L239 D240 M241 C242 A243 I263 F290 Y292 A297 P310 F312 | L239-M265 HydrophobicContact CD1-CE 3.88Å; L239-M265 HydrophobicContact CD1-CG 4.38Å; L239-M265 HydrophobicContact CD1-SD 4.41Å; L239-M265 HydrophobicContact CD2-CE 4.22Å; L239-M265 HydrophobicContact CG-CE 4.38Å; D240-M265 PolarHBondContact O-N 3.01Å; M241-M265 CarbonylContact C-O 3.58Å; M241-M265 HydrophobicContact CB-CE 4.41Å; M241-M265 HydrophobicContact CG-CE 4.26Å; C242-M265 WeakPolarHBondContact CA-O 3.44Å; C242-M265 PolarHBondContact N-O 2.79Å; A243-M265 PolarHBondContact N-O 2.86Å; I263-M265 HydrophobicContact CG2-CG 4.45Å; M265-F290 WeakPolarHBondContact CA-O 3.39Å; M265-Y292 HydrophobicContact SD-CD1 4.41Å; M265-A297 HydrophobicContact CE-CB 3.61Å; M265-A297 HydrophobicContact SD-CB 3.97Å; M265-P310 HydrophobicContact SD-CB 3.98Å; M265-P310 HydrophobicContact SD-CG 4.22Å; M265-F312 HydrophobicContact SD-CE2 3.93Å |
| 266 | D | 98.2 | Very high | 98.2 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 150.4 | 163.3 | -166.7 | -77 | 0 | 0 | 0 | 109.5 | A244 I268 K271 V272 I275 F290 C291 Y292 | A244-D266 HydrophobicContact CB-CB 4.02Å; A244-D266 WeakPolarHBondContact CB-OD2 3.47Å; D266-I268 VanDerWaalsContact C-N 3.3Å; D266-I268 PolarHBondContact O-N 3.06Å; D266-I268 PolarHBondContact OD1-N 3.2Å; D266-K271 HydrophobicContact CB-CB 4.47Å; D266-K271 WeakPolarHBondContact OD1-CD 3.13Å; D266-V272 HydrophobicContact CB-CG2 3.82Å; D266-I275 HydrophobicContact CB-CD1 4.32Å; D266-F290 PolarHBondContact N-O 3.5Å; D266-C291 CarbonylContact O-C 3.47Å; D266-C291 VanDerWaalsContact O-CA 3.29Å; D266-C291 WeakPolarHBondContact O-CA 3.49Å; D266-Y292 CarbonylContact C-O 3.58Å; D266-Y292 PolarHBondContact O-N 3.38Å |
| 267 | K | 97.1 | Very high | 98.1 | Very high | 142 Ų | 142 | 62.1 Ų | 62.1 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -73.3 | -21.6 | -177.5 | -174.9 | 169.2 | -179.1 | 156.1 | 0 | 113.2 | D293 | K267-D293 IonicContact NZ-OD2 3.42Å; K267-D293 PolarHBondContact NZ-OD2 2.78Å |
| 268 | I | 97.8 | Very high | 98.1 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | trans | -106.8 | 121 | -170.7 | -57.8 | 175.9 | 0 | 0 | 0 | 110.3 | D266 N270 K271 V272 | D266-I268 VanDerWaalsContact C-N 3.3Å; D266-I268 PolarHBondContact O-N 3.06Å; D266-I268 PolarHBondContact OD1-N 3.2Å; I268-N270 VanDerWaalsContact C-N 3.34Å; I268-N270 HydrophobicContact CG2-CB 4.45Å; I268-N270 PolarHBondContact O-N 2.88Å; I268-K271 HydrophobicContact CB-CB 4.06Å; I268-K271 HydrophobicContact CB-CD 4.06Å; I268-K271 HydrophobicContact CB-CG 4.02Å; I268-K271 HydrophobicContact CD1-CD 4.02Å; I268-K271 HydrophobicContact CG1-CD 4.45Å; I268-K271 HydrophobicContact CG2-CB 4.4Å; I268-K271 HydrophobicContact CG2-CG 4.15Å; I268-K271 WeakPolarHBondContact O-CA 3.27Å; I268-K271 VanDerWaalsContact O-CB 3.3Å; I268-K271 WeakPolarHBondContact O-CB 3.36Å; I268-K271 PolarHBondContact O-N 3.19Å; I268-V272 PolarHBondContact O-N 2.93Å | ||
| 269 | A | 97.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 51% | 0.512 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56 | -42.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K271 V272 K273 C291 | A269-K271 VanDerWaalsContact C-N 3.27Å; A269-K271 PolarHBondContact O-N 3.05Å; A269-V272 PolarHBondContact O-N 3.48Å; A269-K273 PolarHBondContact O-N 3.12Å; A269-C291 PolarHBondContact N-SG 3.16Å |
| 270 | N | 96.5 | Very high | 98.1 | Very high | 133 Ų | 133 | 57.8 Ų | 57.8 | 71% | 0.711 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.4 | -34.6 | 177.5 | -72.8 | -9.3 | 0 | 0 | 0 | 112.4 | I268 K273 K274 | I268-N270 VanDerWaalsContact C-N 3.34Å; I268-N270 HydrophobicContact CG2-CB 4.45Å; I268-N270 PolarHBondContact O-N 2.88Å; N270-K273 PolarHBondContact O-N 2.8Å; N270-K274 PolarHBondContact O-N 2.78Å; N270-K274 VanDerWaalsContact O-N 3.15Å |
| 271 | K | 97.6 | Very high | 98.1 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 176.2 | -77.4 | -168.3 | 176.2 | -171.4 | 0 | 111.3 | A244 D266 I268 A269 K274 I275 | A244-K271 HydrophobicContact CB-CB 3.52Å; A244-K271 HydrophobicContact CB-CD 3.81Å; A244-K271 HydrophobicContact CB-CG 4.04Å; D266-K271 HydrophobicContact CB-CB 4.47Å; D266-K271 WeakPolarHBondContact OD1-CD 3.13Å; I268-K271 HydrophobicContact CB-CB 4.06Å; I268-K271 HydrophobicContact CB-CD 4.06Å; I268-K271 HydrophobicContact CB-CG 4.02Å; I268-K271 HydrophobicContact CD1-CD 4.02Å; I268-K271 HydrophobicContact CG1-CD 4.45Å; I268-K271 HydrophobicContact CG2-CB 4.4Å; I268-K271 HydrophobicContact CG2-CG 4.15Å; I268-K271 WeakPolarHBondContact O-CA 3.27Å; I268-K271 VanDerWaalsContact O-CB 3.3Å; I268-K271 WeakPolarHBondContact O-CB 3.36Å; I268-K271 PolarHBondContact O-N 3.19Å; A269-K271 VanDerWaalsContact C-N 3.27Å; A269-K271 PolarHBondContact O-N 3.05Å; K271-K274 WeakPolarHBondContact O-CB 3.32Å; K271-K274 PolarHBondContact O-N 3.13Å; K271-K274 VanDerWaalsContact O-N 3.11Å; K271-I275 PolarHBondContact O-N 3.18Å |
| 272 | V | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 172.6 | 175.9 | 0 | 0 | 0 | 0 | 112.1 | D266 I268 A269 K274 I275 K276 A289 F290 C291 | D266-V272 HydrophobicContact CB-CG2 3.82Å; I268-V272 PolarHBondContact O-N 2.93Å; A269-V272 PolarHBondContact O-N 3.48Å; V272-K274 PolarHBondContact O-N 3.49Å; V272-I275 WeakPolarHBondContact O-CB 3.27Å; V272-I275 PolarHBondContact O-N 2.64Å; V272-I275 VanDerWaalsContact O-N 3.13Å; V272-K276 PolarHBondContact O-N 3.41Å; V272-A289 HydrophobicContact CG1-CB 4.05Å; V272-F290 WeakPolarHBondContact CG2-O 3.13Å; V272-C291 HydrophobicContact CB-CB 4.48Å; V272-C291 HydrophobicContact CG2-CB 4.03Å |
| 273 | K | 98.1 | Very high | 98.1 | Very high | 129 Ų | 129 | 63.3 Ų | 63.3 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -56.2 | -40.2 | 172.2 | -173.8 | 177.9 | 179.7 | 178.4 | 0 | 111 | A269 N270 K276 Q277 | A269-K273 PolarHBondContact O-N 3.12Å; N270-K273 PolarHBondContact O-N 2.8Å; K273-K276 PolarHBondContact O-N 3.07Å; K273-Q277 VanDerWaalsContact O-CG 3.28Å; K273-Q277 WeakPolarHBondContact O-CG 3.31Å; K273-Q277 PolarHBondContact O-N 2.8Å |
| 274 | K | 98 | Very high | 98 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 39% | 0.391 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.9 | -36.8 | 177.1 | -171 | 55.1 | 176 | 158.9 | 0 | 113.1 | P245 N270 K271 V272 Q277 N278 | P245-K274 HydrophobicContact CB-CG 3.94Å; N270-K274 PolarHBondContact O-N 2.78Å; N270-K274 VanDerWaalsContact O-N 3.15Å; K271-K274 WeakPolarHBondContact O-CB 3.32Å; K271-K274 PolarHBondContact O-N 3.13Å; K271-K274 VanDerWaalsContact O-N 3.11Å; V272-K274 PolarHBondContact O-N 3.49Å; K274-Q277 PolarHBondContact O-N 3Å; K274-N278 WeakPolarHBondContact CE-OD1 3.49Å; K274-N278 PolarHBondContact NZ-OD1 3.44Å; K274-N278 WeakPolarHBondContact O-CB 3.45Å; K274-N278 PolarHBondContact O-N 3.05Å; K274-N278 PolarHBondContact O-ND2 2.81Å |
| 275 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 171.7 | -62.2 | 166.6 | 0 | 0 | 0 | 109.9 | A243 A244 A264 D266 K271 V272 Q277 N278 A279 A289 | A243-I275 HydrophobicContact CB-CD1 3.58Å; A244-I275 HydrophobicContact CB-CD1 4.04Å; A244-I275 HydrophobicContact CB-CG1 4.2Å; A264-I275 HydrophobicContact CB-CG2 4.13Å; D266-I275 HydrophobicContact CB-CD1 4.32Å; K271-I275 PolarHBondContact O-N 3.18Å; V272-I275 WeakPolarHBondContact O-CB 3.27Å; V272-I275 PolarHBondContact O-N 2.64Å; V272-I275 VanDerWaalsContact O-N 3.13Å; I275-Q277 PolarHBondContact O-N 3.48Å; I275-N278 PolarHBondContact O-N 3Å; I275-A279 PolarHBondContact O-N 3Å; I275-A289 HydrophobicContact CB-CB 4.27Å; I275-A289 HydrophobicContact CG2-CB 3.81Å |
| 276 | K | 98.6 | Very high | 98 | Very high | 120 Ų | 120 | 70.5 Ų | 70.5 | 52% | 0.522 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 179.2 | -67 | -176.1 | 177.7 | -170.7 | 0 | 112.2 | V272 K273 N278 A279 E280 A289 | V272-K276 PolarHBondContact O-N 3.41Å; K273-K276 PolarHBondContact O-N 3.07Å; K276-N278 VanDerWaalsContact C-N 3.32Å; K276-N278 PolarHBondContact O-N 2.97Å; K276-A279 PolarHBondContact O-N 3.28Å; K276-E280 WeakPolarHBondContact O-CB 3.25Å; K276-E280 PolarHBondContact O-N 3.13Å; K276-A289 WeakPolarHBondContact CE-O 3.49Å; K276-A289 HydrophobicContact CG-CB 3.9Å |
| 277 | Q | 98.3 | Very high | 98 | Very high | 82 Ų | 82 | 70.7 Ų | 70.7 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 176.3 | -74 | 172.6 | -21.1 | 0 | 0 | 112.5 | K273 K274 I275 L281 | K273-Q277 VanDerWaalsContact O-CG 3.28Å; K273-Q277 WeakPolarHBondContact O-CG 3.31Å; K273-Q277 PolarHBondContact O-N 2.8Å; K274-Q277 PolarHBondContact O-N 3Å; I275-Q277 PolarHBondContact O-N 3.48Å; Q277-L281 VanDerWaalsContact O-CB 3.22Å; Q277-L281 WeakPolarHBondContact O-CB 3.42Å; Q277-L281 PolarHBondContact O-N 3.01Å |
| 278 | N | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.059 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.3 | -36.4 | 178.7 | -72.7 | -15.1 | 0 | 0 | 0 | 111.7 | F217 P245 T250 K274 I275 K276 L282 | F217-N278 HydrophobicContact CE2-CB 4.48Å; P245-N278 PolarHBondContact O-ND2 2.91Å; T250-N278 HydrophobicContact CG2-CB 4.48Å; K274-N278 WeakPolarHBondContact CE-OD1 3.49Å; K274-N278 PolarHBondContact NZ-OD1 3.44Å; K274-N278 WeakPolarHBondContact O-CB 3.45Å; K274-N278 PolarHBondContact O-N 3.05Å; K274-N278 PolarHBondContact O-ND2 2.81Å; I275-N278 PolarHBondContact O-N 3Å; K276-N278 VanDerWaalsContact C-N 3.32Å; K276-N278 PolarHBondContact O-N 2.97Å; N278-L282 WeakPolarHBondContact O-CB 3.36Å; N278-L282 VanDerWaalsContact O-CG 3.29Å; N278-L282 WeakPolarHBondContact O-CG 3.32Å; N278-L282 PolarHBondContact O-N 3.24Å; N278-L282 VanDerWaalsContact O-N 3.09Å |
| 279 | A | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I275 K276 L282 Q283 L284 I287 | I275-A279 PolarHBondContact O-N 3Å; K276-A279 PolarHBondContact O-N 3.28Å; A279-L282 CarbonylContact O-C 3.52Å; A279-L282 PolarHBondContact O-N 3.29Å; A279-Q283 PolarHBondContact O-N 3.48Å; A279-L284 PolarHBondContact O-N 3.01Å; A279-I287 HydrophobicContact CB-CB 4.3Å; A279-I287 HydrophobicContact CB-CD1 3.81Å; A279-I287 HydrophobicContact CB-CG2 4.42Å |
| 280 | E | 98.3 | Very high | 98.2 | Very high | 154 Ų | 154 | 63 Ų | 63 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | 176.3 | -176.3 | 177.9 | -168.3 | 0 | 0 | 111.8 | K276 L282 Q283 | K276-E280 WeakPolarHBondContact O-CB 3.25Å; K276-E280 PolarHBondContact O-N 3.13Å; E280-L282 VanDerWaalsContact C-N 3.25Å; E280-L282 PolarHBondContact O-N 2.97Å; E280-Q283 PolarHBondContact O-N 3.37Å |
| 281 | L | 97.7 | Very high | 98.2 | Very high | 78 Ų | 78 | 60 Ų | 60 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 178.4 | -179.6 | 63.1 | 0 | 0 | 0 | 112.7 | P213 S214 Q277 | P213-L281 HydrophobicContact CB-CD1 4.25Å; P213-L281 HydrophobicContact CB-CD2 4.37Å; P213-L281 WeakPolarHBondContact O-CD2 3.05Å; P213-L281 WeakPolarHBondContact O-CG 3.17Å; S214-L281 WeakPolarHBondContact CB-O 3.43Å; Q277-L281 VanDerWaalsContact O-CB 3.22Å; Q277-L281 WeakPolarHBondContact O-CB 3.42Å; Q277-L281 PolarHBondContact O-N 3.01Å |
| 282 | L | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 2.2 | 178.8 | -62.1 | -177.8 | 0 | 0 | 0 | 113.4 | N58 S214 F217 T250 N278 A279 E280 L284 | N58-L282 HydrophobicContact CB-CD2 4.17Å; N58-L282 PolarHBondContact ND2-O 3.24Å; S214-L282 VanDerWaalsContact O-CD2 3.29Å; S214-L282 WeakPolarHBondContact O-CD2 3.49Å; F217-L282 HydrophobicContact CD2-CD1 4.12Å; T250-L282 HydrophobicContact CG2-CD1 4.03Å; N278-L282 WeakPolarHBondContact O-CB 3.36Å; N278-L282 VanDerWaalsContact O-CG 3.29Å; N278-L282 WeakPolarHBondContact O-CG 3.32Å; N278-L282 PolarHBondContact O-N 3.24Å; N278-L282 VanDerWaalsContact O-N 3.09Å; A279-L282 CarbonylContact O-C 3.52Å; A279-L282 PolarHBondContact O-N 3.29Å; E280-L282 VanDerWaalsContact C-N 3.25Å; E280-L282 PolarHBondContact O-N 2.97Å; L282-L284 HydrophobicContact CB-CD1 3.9Å; L282-L284 HydrophobicContact CB-CG 4.29Å; L282-L284 HydrophobicContact CD1-CD1 4.45Å |
| 283 | Q | 98.3 | Very high | 98.2 | Very high | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 41.8 | 178.4 | -54.6 | -179.9 | 24.5 | 0 | 0 | 114.4 | H60 L61 A279 E280 | H60-Q283 PolarHBondContact CD2-O 3.41Å; H60-Q283 PolarHBondContact NE2-O 3.32Å; L61-Q283 HydrophobicContact CD1-CB 4.26Å; L61-Q283 HydrophobicContact CD1-CG 4.05Å; L61-Q283 HydrophobicContact CD2-CB 4.14Å; L61-Q283 HydrophobicContact CD2-CG 4.41Å; A279-Q283 PolarHBondContact O-N 3.48Å; E280-Q283 PolarHBondContact O-N 3.37Å |
| 284 | L | 98.5 | Very high | 98.2 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | trans | -103.9 | 119.8 | 179.9 | -64.6 | 161 | 0 | 0 | 0 | 110.4 | H60 T250 A253 D258 A279 L282 I287 | H60-L284 HydrophobicContact CB-CD2 4.3Å; T250-L284 HydrophobicContact CG2-CD1 3.96Å; T250-L284 VanDerWaalsContact O-CD1 3.29Å; T250-L284 WeakPolarHBondContact O-CD1 3.36Å; A253-L284 HydrophobicContact CB-CB 4.3Å; A253-L284 HydrophobicContact CB-CD1 4.14Å; A253-L284 HydrophobicContact CB-CD2 3.97Å; A253-L284 HydrophobicContact CB-CG 4.37Å; D258-L284 HydrophobicContact CB-CD2 4.34Å; A279-L284 PolarHBondContact O-N 3.01Å; L282-L284 HydrophobicContact CB-CD1 3.9Å; L282-L284 HydrophobicContact CB-CG 4.29Å; L282-L284 HydrophobicContact CD1-CD1 4.45Å; L284-I287 HydrophobicContact CB-CD1 3.75Å; L284-I287 HydrophobicContact CB-CG1 4.32Å; L284-I287 HydrophobicContact CD1-CD1 4.04Å | ||
| 285 | N | 98.4 | Very high | 98.2 | Very high | 132 Ų | 132 | 51.4 Ų | 51.4 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | trans | -101.9 | -21.4 | -171.6 | -52.6 | -74.9 | 0 | 0 | 0 | 113.2 | D258 I287 | D258-N285 VanDerWaalsContact CG-N 3.27Å; D258-N285 PolarHBondContact OD1-N 2.79Å; D258-N285 WeakPolarHBondContact OD2-CB 3.5Å; D258-N285 PolarHBondContact OD2-N 2.81Å; D258-N285 PolarHBondContact OD2-ND2 2.97Å; N285-I287 PolarHBondContact O-N 2.73Å | ||
| 286 | C | 98.3 | Very high | 98.1 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 8% | 0.081 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -74.5 | -1.6 | -179.8 | 78.5 | 0 | 0 | 0 | 0 | 113.6 | A253 D258 G260 V262 | A253-C286 WeakPolarHBondContact CB-SG 3.41Å; D258-C286 WeakPolarHBondContact OD1-CB 3.48Å; D258-C286 PolarHBondContact OD1-N 3.26Å; D258-C286 PolarHBondContact OD1-SG 3.3Å; G260-C286 WeakPolarHBondContact O-CB 3.47Å; V262-C286 PolarHBondContact N-O 2.78Å |
| 287 | I | 98.7 | Very high | 98.1 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.8 | -177.4 | -57.3 | 173.6 | 0 | 0 | 0 | 111.1 | T249 T250 A253 V262 A264 A279 L284 N285 | T249-I287 HydrophobicContact CG2-CD1 4.4Å; T249-I287 HydrophobicContact CG2-CG2 3.87Å; T250-I287 HydrophobicContact CG2-CD1 3.84Å; A253-I287 HydrophobicContact CB-CD1 3.72Å; A253-I287 HydrophobicContact CB-CG1 3.65Å; V262-I287 HydrophobicContact CB-CG1 4.24Å; V262-I287 CarbonylContact O-C 3.58Å; V262-I287 WeakPolarHBondContact O-CA 3.31Å; A264-I287 HydrophobicContact CB-CG2 4.34Å; A279-I287 HydrophobicContact CB-CB 4.3Å; A279-I287 HydrophobicContact CB-CD1 3.81Å; A279-I287 HydrophobicContact CB-CG2 4.42Å; L284-I287 HydrophobicContact CB-CD1 3.75Å; L284-I287 HydrophobicContact CB-CG1 4.32Å; L284-I287 HydrophobicContact CD1-CD1 4.04Å; N285-I287 PolarHBondContact O-N 2.73Å |
| 288 | K | 98.4 | Very high | 98 | Very high | 59 Ų | 59 | 50.6 Ų | 50.6 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 110.8 | 170.8 | -58.6 | -177.9 | -174.4 | 174.2 | 0 | 110.3 | E261 V262 I263 A264 F290 E308 | E261-K288 HydrophobicContact CG-CD 4.49Å; E261-K288 WeakPolarHBondContact OE1-CD 3.45Å; E261-K288 WeakPolarHBondContact OE1-CE 3.06Å; E261-K288 IonicContact OE1-NZ 2.74Å; E261-K288 PolarHBondContact OE1-NZ 3.49Å; V262-K288 PolarHBondContact O-N 3.1Å; I263-K288 HydrophobicContact CD1-CB 3.89Å; I263-K288 HydrophobicContact CD1-CD 4.15Å; I263-K288 HydrophobicContact CD1-CG 4.44Å; A264-K288 PolarHBondContact N-O 3.01Å; K288-F290 HydrophobicContact CB-CE2 3.64Å; K288-F290 HydrophobicContact CB-CZ 4.04Å; K288-F290 WeakPolarHBondContact O-CD2 3.46Å; K288-E308 IonicContact NZ-OE1 3.91Å; K288-E308 PolarHBondContact NZ-OE1 3.17Å; K288-E308 IonicContact NZ-OE2 3.9Å; K288-E308 PolarHBondContact NZ-OE2 2.86Å |
| 289 | A | 98.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A264 V272 I275 K276 | A264-A289 HydrophobicContact CB-CB 4.16Å; A264-A289 CarbonylContact O-C 3.59Å; A264-A289 VanDerWaalsContact O-CA 3.29Å; A264-A289 WeakPolarHBondContact O-CA 3.41Å; V272-A289 HydrophobicContact CG1-CB 4.05Å; I275-A289 HydrophobicContact CB-CB 4.27Å; I275-A289 HydrophobicContact CG2-CB 3.81Å; K276-A289 WeakPolarHBondContact CE-O 3.49Å; K276-A289 HydrophobicContact CG-CB 3.9Å |
| 290 | F | 98.2 | Very high | 97 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 25% | 0.254 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.1 | -174.4 | -59.7 | -84.1 | 0 | 0 | 0 | 112.8 | I263 A264 M265 D266 V272 K288 Y292 P310 | I263-F290 HydrophobicContact CD1-CE2 4.22Å; I263-F290 HydrophobicContact CG2-CD2 4.1Å; I263-F290 HydrophobicContact CG2-CE2 4.23Å; A264-F290 PolarHBondContact O-N 3.33Å; M265-F290 WeakPolarHBondContact CA-O 3.39Å; D266-F290 PolarHBondContact N-O 3.5Å; V272-F290 WeakPolarHBondContact CG2-O 3.13Å; K288-F290 HydrophobicContact CB-CE2 3.64Å; K288-F290 HydrophobicContact CB-CZ 4.04Å; K288-F290 WeakPolarHBondContact O-CD2 3.46Å; F290-Y292 PolarHBondContact O-N 3.41Å; F290-P310 HydrophobicContact CB-CG 3.83Å; F290-P310 HydrophobicContact CD1-CG 4.45Å; F290-P310 VanDerWaalsContact CG-CD 3.44Å; F290-P310 HydrophobicContact CG-CG 4.04Å |
| 291 | C | 98.1 | Very high | 96.2 | Very high | 69 Ų | 69 | 56.4 Ų | 56.4 | 47% | 0.466 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 95.6 | 170.3 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | D266 A269 V272 | D266-C291 CarbonylContact O-C 3.47Å; D266-C291 VanDerWaalsContact O-CA 3.29Å; D266-C291 WeakPolarHBondContact O-CA 3.49Å; A269-C291 PolarHBondContact N-SG 3.16Å; V272-C291 HydrophobicContact CB-CB 4.48Å; V272-C291 HydrophobicContact CG2-CB 4.03Å |
| 292 | Y | 97.8 | Very high | 94.8 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | trans | -149.1 | 149.8 | -172.4 | -154.1 | -94.4 | 0 | 0 | 0 | 112.1 | M265 D266 F290 G294 K296 A297 P310 | M265-Y292 HydrophobicContact SD-CD1 4.41Å; D266-Y292 CarbonylContact C-O 3.58Å; D266-Y292 PolarHBondContact O-N 3.38Å; F290-Y292 PolarHBondContact O-N 3.41Å; Y292-G294 PolarHBondContact O-N 3.32Å; Y292-K296 HydrophobicContact CE1-CB 4.1Å; Y292-K296 WeakPolarHBondContact CE1-O 3.25Å; Y292-A297 HydrophobicContact CD1-CB 4.48Å; Y292-P310 HydrophobicContact CD1-CB 3.73Å; Y292-P310 HydrophobicContact CD1-CG 4.08Å; Y292-P310 HydrophobicContact CD2-CB 3.95Å; Y292-P310 HydrophobicContact CD2-CG 3.63Å; Y292-P310 HydrophobicContact CE1-CB 4.03Å; Y292-P310 HydrophobicContact CE2-CB 4.2Å; Y292-P310 HydrophobicContact CE2-CG 4.27Å; Y292-P310 HydrophobicContact CG-CB 3.7Å; Y292-P310 HydrophobicContact CG-CG 3.5Å | ||
| 293 | D | 97.7 | Very high | 93.3 | Very high | 34 Ų | 34 | 67.9 Ų | 67.9 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | trans | -81.9 | 109.5 | 175.1 | -167.3 | -36.3 | 0 | 0 | 0 | 109.5 | K267 T295 K296 | K267-D293 IonicContact NZ-OD2 3.42Å; K267-D293 PolarHBondContact NZ-OD2 2.78Å; D293-T295 VanDerWaalsContact CG-OG1 3.31Å; D293-T295 PolarHBondContact O-N 3.14Å; D293-T295 WeakPolarHBondContact OD1-CB 3.19Å; D293-T295 PolarHBondContact OD1-N 2.89Å; D293-T295 PolarHBondContact OD1-OG1 2.87Å; D293-K296 HydrophobicContact CB-CD 4.45Å; D293-K296 HydrophobicContact CB-CG 4.48Å; D293-K296 PolarHBondContact O-N 2.7Å | ||
| 294 | G | 97.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 6% | 0.062 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -56.4 | -23.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M241 Y292 K296 A297 V357 | M241-G294 WeakPolarHBondContact CE-O 3.4Å; Y292-G294 PolarHBondContact O-N 3.32Å; G294-K296 PolarHBondContact O-N 3.13Å; G294-A297 PolarHBondContact O-N 3.38Å; G294-V357 WeakPolarHBondContact O-CG1 3.48Å |
| 295 | T | 98.1 | Very high | 89.6 | Confident | 39 Ų | 39 | 77.5 Ų | 77.5 | 24% | 0.239 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -72.2 | -11.1 | 175.7 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | D293 L350 K353 L354 | D293-T295 VanDerWaalsContact CG-OG1 3.31Å; D293-T295 PolarHBondContact O-N 3.14Å; D293-T295 WeakPolarHBondContact OD1-CB 3.19Å; D293-T295 PolarHBondContact OD1-N 2.89Å; D293-T295 PolarHBondContact OD1-OG1 2.87Å; T295-L350 HydrophobicContact CG2-CD1 3.8Å; T295-K353 HydrophobicContact CG2-CB 3.99Å; T295-L354 HydrophobicContact CG2-CD2 3.71Å; T295-L354 HydrophobicContact CG2-CG 3.98Å |
| 296 | K | 97.5 | Very high | 87.6 | Confident | 137 Ų | 137 | 80.6 Ų | 80.6 | 60% | 0.596 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -117.9 | 10.2 | -179.5 | -58.4 | -177.8 | -178.6 | -179.2 | 0 | 112.5 | Y292 D293 G294 L298 | Y292-K296 HydrophobicContact CE1-CB 4.1Å; Y292-K296 WeakPolarHBondContact CE1-O 3.25Å; D293-K296 HydrophobicContact CB-CD 4.45Å; D293-K296 HydrophobicContact CB-CG 4.48Å; D293-K296 PolarHBondContact O-N 2.7Å; G294-K296 PolarHBondContact O-N 3.13Å; K296-L298 PolarHBondContact O-N 2.63Å; K296-L298 VanDerWaalsContact O-N 3.15Å |
| 297 | A | 96.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -73.2 | -2.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | M265 Y292 G294 F312 V357 L361 | M265-A297 HydrophobicContact CE-CB 3.61Å; M265-A297 HydrophobicContact SD-CB 3.97Å; Y292-A297 HydrophobicContact CD1-CB 4.48Å; G294-A297 PolarHBondContact O-N 3.38Å; A297-F312 PolarHBondContact O-N 3Å; A297-V357 HydrophobicContact CB-CG1 4.07Å; A297-L361 HydrophobicContact CB-CD1 4.13Å | ||
| 298 | L | 95.8 | Very high | 84.8 | Confident | 48 Ų | 48 | 90.5 Ų | 90.5 | 25% | 0.251 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -97.1 | 130 | 176.4 | -177.8 | 73.9 | 0 | 0 | 0 | 110.8 | K296 P314 V357 K360 L361 | K296-L298 PolarHBondContact O-N 2.63Å; K296-L298 VanDerWaalsContact O-N 3.15Å; L298-P314 HydrophobicContact CD1-CB 4.18Å; L298-P314 HydrophobicContact CD1-CG 3.97Å; L298-V357 HydrophobicContact CB-CG1 4.27Å; L298-K360 HydrophobicContact CD1-CB 3.99Å; L298-K360 HydrophobicContact CD2-CB 3.91Å; L298-K360 HydrophobicContact CD2-CD 3.44Å; L298-K360 VanDerWaalsContact CD2-CD 3.44Å; L298-K360 HydrophobicContact CD2-CG 4.31Å; L298-L361 HydrophobicContact CD1-CD2 3.65Å; L298-L361 HydrophobicContact CD1-CG 4.19Å |
| 299 | S | 91.9 | Very high | 84.2 | Confident | 22 Ų | 22 | 88.2 Ų | 88.2 | 15% | 0.154 | 43% | 0.431 | C | S | . | . | trans | -120.9 | 143.3 | 167.8 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | E301 F312 P314 | S299-E301 PolarHBondContact OG-N 3.4Å; S299-E301 PolarHBondContact OG-O 3.24Å; S299-F312 PolarHBondContact N-O 3.25Å; S299-P314 WeakPolarHBondContact O-CD 3.35Å | ||
| 300 | V | 84.6 | Confident | 84 | Confident | 124 Ų | 124 | 88.3 Ų | 88.3 | 75% | 0.752 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -99.8 | -13.7 | 171.8 | -65.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 301 | E | 81.2 | Confident | 83.8 | Confident | 150 Ų | 150 | 86.6 Ų | 86.6 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -99.7 | 132.9 | 178.5 | -68.5 | 172.2 | -169.4 | 0 | 0 | 109.8 | S299 R303 | S299-E301 PolarHBondContact OG-N 3.4Å; S299-E301 PolarHBondContact OG-O 3.24Å; E301-R303 PolarHBondContact O-N 3.49Å |
| 302 | K | 67.9 | Low | 83.7 | Confident | 178 Ų | 178 | 83.8 Ų | 83.8 | 77% | 0.774 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 118 | 163.3 | -81.7 | -175.6 | 175.7 | -174.8 | 0 | 107.4 | L313 | K302-L313 HydrophobicContact CG-CD1 3.87Å; K302-L313 HydrophobicContact CG-CD2 4.12Å |
| 303 | R | 67.5 | Low | 83.6 | Confident | 142 Ų | 142 | 83.6 Ų | 83.6 | 54% | 0.536 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 138.4 | 166.9 | -67.2 | -177.8 | 178 | -177.1 | -2.2 | 108.1 | E301 D305 Q307 | E301-R303 PolarHBondContact O-N 3.49Å; R303-D305 PolarHBondContact O-N 3.15Å; R303-Q307 VanDerWaalsContact NH1-OE1 3.15Å |
| 304 | E | 59.8 | Low | 83.5 | Confident | 199 Ų | 199 | 84.9 Ų | 84.9 | 93% | 0.93 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -64.6 | -24.5 | 179.4 | -66.4 | -179.1 | 165.1 | 0 | 0 | 111.9 | ||
| 305 | D | 59.9 | Low | 83.5 | Confident | 120 Ų | 120 | 88.6 Ų | 88.6 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -85.8 | 121.2 | 169.1 | -60 | -36 | 0 | 0 | 0 | 109.7 | R303 Q307 | R303-D305 PolarHBondContact O-N 3.15Å; D305-Q307 PolarHBondContact O-N 3.1Å |
| 306 | E | 55.3 | Low | 83.4 | Confident | 196 Ų | 196 | 87.8 Ų | 87.8 | 92% | 0.916 | 43% | 0.43 | S | S | * | . | trans | -62.1 | 63.8 | 174.1 | -65.2 | -179.3 | 161 | 0 | 0 | 112.1 | E308 | E306-E308 PolarHBondContact O-N 2.89Š| ||
| 307 | Q | 60.6 | Low | 83.5 | Confident | 114 Ų | 114 | 81.2 Ų | 81.2 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | trans | -72.1 | 112.2 | 176.3 | -95.1 | 168.4 | 6.2 | 0 | 0 | 109.4 | R303 D305 G309 | R303-Q307 VanDerWaalsContact NH1-OE1 3.15Å; D305-Q307 PolarHBondContact O-N 3.1Å; Q307-G309 PolarHBondContact O-N 3.19Å | ||
| 308 | E | 77.1 | Confident | 83.6 | Confident | 128 Ų | 128 | 83.1 Ų | 83.1 | 60% | 0.598 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -62.5 | 1.1 | 169.7 | -61.6 | -169.7 | 152.1 | 0 | 0 | 113.8 | K288 E306 | K288-E308 IonicContact NZ-OE1 3.91Å; K288-E308 PolarHBondContact NZ-OE1 3.17Å; K288-E308 IonicContact NZ-OE2 3.9Å; K288-E308 PolarHBondContact NZ-OE2 2.86Å; E306-E308 PolarHBondContact O-N 2.89Å |
| 309 | G | 87.3 | Confident | 83.7 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 11% | 0.113 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -115.7 | 173.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q307 | Q307-G309 PolarHBondContact O-N 3.19Š|
| 310 | P | 92.8 | Very high | 84.1 | Confident | 13 Ų | 13 | 81.3 Ų | 81.3 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -67.1 | 151.7 | -178.7 | 27.2 | -33.5 | 0 | 0 | 0 | 112.5 | M265 F290 Y292 F312 | M265-P310 HydrophobicContact SD-CB 3.98Å; M265-P310 HydrophobicContact SD-CG 4.22Å; F290-P310 HydrophobicContact CB-CG 3.83Å; F290-P310 HydrophobicContact CD1-CG 4.45Å; F290-P310 VanDerWaalsContact CG-CD 3.44Å; F290-P310 HydrophobicContact CG-CG 4.04Å; Y292-P310 HydrophobicContact CD1-CB 3.73Å; Y292-P310 HydrophobicContact CD1-CG 4.08Å; Y292-P310 HydrophobicContact CD2-CB 3.95Å; Y292-P310 HydrophobicContact CD2-CG 3.63Å; Y292-P310 HydrophobicContact CE1-CB 4.03Å; Y292-P310 HydrophobicContact CE2-CB 4.2Å; Y292-P310 HydrophobicContact CE2-CG 4.27Å; Y292-P310 HydrophobicContact CG-CB 3.7Å; Y292-P310 HydrophobicContact CG-CG 3.5Å; P310-F312 HydrophobicContact CB-CD2 4.19Å; P310-F312 HydrophobicContact CB-CE2 3.62Å; P310-F312 HydrophobicContact CB-CZ 3.81Å; P310-F312 HydrophobicContact CG-CE2 4.4Å; P310-F312 HydrophobicContact CG-CZ 4.26Å |
| 311 | P | 95.2 | Very high | 84.7 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | S | Bend | cis | -79.9 | 157 | 3 | 34.2 | -35.9 | 0 | 0 | 0 | 113.1 | ||
| 312 | F | 95.4 | Very high | 85.6 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -108.6 | 153.1 | -174.6 | -53.8 | -68.7 | 0 | 0 | 0 | 112.3 | L239 I263 M265 A297 S299 P310 F317 L361 | L239-F312 HydrophobicContact CD1-CE2 4.2Å; I263-F312 HydrophobicContact CG2-CE1 4.5Å; I263-F312 HydrophobicContact CG2-CE2 3.87Å; I263-F312 HydrophobicContact CG2-CZ 3.52Å; M265-F312 HydrophobicContact SD-CE2 3.93Å; A297-F312 PolarHBondContact O-N 3Å; S299-F312 PolarHBondContact N-O 3.25Å; P310-F312 HydrophobicContact CB-CD2 4.19Å; P310-F312 HydrophobicContact CB-CE2 3.62Å; P310-F312 HydrophobicContact CB-CZ 3.81Å; P310-F312 HydrophobicContact CG-CE2 4.4Å; P310-F312 HydrophobicContact CG-CZ 4.26Å; F312-F317 HydrophobicContact CB-CE2 3.87Å; F312-F317 HydrophobicContact CB-CZ 4.47Å; F312-F317 HydrophobicContact CD1-CE2 4.34Å; F312-F317 HydrophobicContact CD1-CZ 4.12Å; F312-F317 AromaticContact CD2-CE2 3.69Å; F312-F317 HydrophobicContact CD2-CE2 3.69Å; F312-F317 AromaticContact CD2-CZ 3.76Å; F312-F317 HydrophobicContact CD2-CZ 3.76Å; F312-F317 HydrophobicContact CE1-CZ 4.29Å; F312-F317 HydrophobicContact CE2-CE2 4.33Å; F312-F317 AromaticContact CE2-CZ 3.95Å; F312-F317 HydrophobicContact CE2-CZ 3.95Å; F312-F317 AromaticContact CG-CE2 3.7Å; F312-F317 HydrophobicContact CG-CE2 3.7Å; F312-F317 AromaticContact CG-CZ 3.85Å; F312-F317 HydrophobicContact CG-CZ 3.85Å; F312-F317 HydrophobicContact CZ-CZ 4.22Å; F312-L361 HydrophobicContact CB-CD2 3.84Å |
| 313 | L | 95.3 | Very high | 87 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | trans | -66.4 | 155.2 | 173.5 | -64.7 | 174.4 | 0 | 0 | 0 | 111.4 | K302 S316 L361 | K302-L313 HydrophobicContact CG-CD1 3.87Å; K302-L313 HydrophobicContact CG-CD2 4.12Å; L313-S316 WeakPolarHBondContact O-CB 3.25Å; L313-S316 PolarHBondContact O-OG 2.55Å; L313-L361 VanDerWaalsContact O-CD2 3.27Å; L313-L361 WeakPolarHBondContact O-CD2 3.37Å | ||
| 314 | P | 96.6 | Very high | 88.5 | Confident | 61 Ų | 61 | 55 Ų | 55 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 152.2 | 173.4 | -16 | 29.7 | 0 | 0 | 0 | 110.9 | L298 S299 S316 K360 | L298-P314 HydrophobicContact CD1-CB 4.18Å; L298-P314 HydrophobicContact CD1-CG 3.97Å; S299-P314 WeakPolarHBondContact O-CD 3.35Å; P314-S316 VanDerWaalsContact C-N 3.27Å; P314-S316 PolarHBondContact O-N 3.25Å; P314-K360 CarbonylContact C-O 3.38Å; P314-K360 VanDerWaalsContact CA-O 3.31Å; P314-K360 WeakPolarHBondContact CA-O 3.06Å |
| 315 | E | 97.1 | Very high | 90.3 | Very high | 83 Ų | 83 | 47.7 Ų | 47.7 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 42.5 | 170.8 | -49.5 | -163.4 | 153.3 | 0 | 0 | 113.6 | K360 L361 K363 P364 K465 | E315-K360 PolarHBondContact N-O 3.27Å; E315-L361 CarbonylContact C-O 3.56Å; E315-L361 WeakPolarHBondContact CA-O 3.46Å; E315-L361 PolarHBondContact N-O 3.02Å; E315-K363 WeakPolarHBondContact O-CG 3.44Å; E315-P364 WeakPolarHBondContact OE2-CD 3.39Å; E315-K465 WeakPolarHBondContact OE1-CE 3.48Å; E315-K465 IonicContact OE1-NZ 2.75Å; E315-K465 PolarHBondContact OE1-NZ 2.64Å |
| 316 | S | 96.7 | Very high | 92.1 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | trans | -111 | -1.2 | -173.6 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | R237 L313 P314 L361 | R237-S316 PolarHBondContact NH1-O 2.71Å; R237-S316 PolarHBondContact NH1-OG 2.88Å; L313-S316 WeakPolarHBondContact O-CB 3.25Å; L313-S316 PolarHBondContact O-OG 2.55Å; P314-S316 VanDerWaalsContact C-N 3.27Å; P314-S316 PolarHBondContact O-N 3.25Å; S316-L361 PolarHBondContact N-O 2.84Å | ||
| 317 | F | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.8 | 179 | -68.9 | -83.8 | 0 | 0 | 0 | 112 | R237 L239 I263 F312 I320 L361 K363 | R237-F317 HydrophobicContact CG-CD1 3.76Å; R237-F317 HydrophobicContact CG-CE1 3.88Å; L239-F317 HydrophobicContact CB-CD1 3.6Å; L239-F317 HydrophobicContact CB-CD2 4.23Å; L239-F317 HydrophobicContact CB-CE1 3.73Å; L239-F317 HydrophobicContact CB-CE2 4.33Å; L239-F317 HydrophobicContact CB-CG 3.86Å; L239-F317 HydrophobicContact CB-CZ 4.09Å; L239-F317 HydrophobicContact CD1-CE1 4.15Å; L239-F317 HydrophobicContact CD1-CE2 4.43Å; L239-F317 HydrophobicContact CD1-CZ 3.92Å; L239-F317 HydrophobicContact CD2-CD2 4.14Å; L239-F317 HydrophobicContact CD2-CE2 3.96Å; L239-F317 HydrophobicContact CD2-CZ 4.27Å; L239-F317 HydrophobicContact CG-CE1 4.42Å; L239-F317 HydrophobicContact CG-CE2 4.49Å; L239-F317 HydrophobicContact CG-CZ 4.33Å; I263-F317 HydrophobicContact CB-CE1 3.98Å; I263-F317 HydrophobicContact CB-CZ 4.31Å; I263-F317 HydrophobicContact CG1-CE1 3.65Å; I263-F317 HydrophobicContact CG1-CZ 4.06Å; F312-F317 HydrophobicContact CB-CE2 3.87Å; F312-F317 HydrophobicContact CB-CZ 4.47Å; F312-F317 HydrophobicContact CD1-CE2 4.34Å; F312-F317 HydrophobicContact CD1-CZ 4.12Å; F312-F317 AromaticContact CD2-CE2 3.69Å; F312-F317 HydrophobicContact CD2-CE2 3.69Å; F312-F317 AromaticContact CD2-CZ 3.76Å; F312-F317 HydrophobicContact CD2-CZ 3.76Å; F312-F317 HydrophobicContact CE1-CZ 4.29Å; F312-F317 HydrophobicContact CE2-CE2 4.33Å; F312-F317 AromaticContact CE2-CZ 3.95Å; F312-F317 HydrophobicContact CE2-CZ 3.95Å; F312-F317 AromaticContact CG-CE2 3.7Å; F312-F317 HydrophobicContact CG-CE2 3.7Å; F312-F317 AromaticContact CG-CZ 3.85Å; F312-F317 HydrophobicContact CG-CZ 3.85Å; F312-F317 HydrophobicContact CZ-CZ 4.22Å; F317-I320 HydrophobicContact CB-CD1 4.19Å; F317-I320 HydrophobicContact CB-CG1 3.87Å; F317-I320 HydrophobicContact CG-CG1 4.49Å; F317-L361 HydrophobicContact CD2-CB 4.15Å; F317-L361 PolarHBondContact N-O 2.7Å; F317-K363 WeakPolarHBondContact O-CB 3.36Å; F317-K363 WeakPolarHBondContact O-CG 3.46Å; F317-K363 PolarHBondContact O-N 3.35Å |
| 318 | D | 98.8 | Very high | 95.8 | Very high | 40 Ų | 40 | 28.6 Ų | 28.6 | 21% | 0.214 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | -37.4 | 176.9 | -57.7 | -62.3 | 0 | 0 | 0 | 110.8 | E236 R237 K363 G366 V367 | E236-D318 HydrophobicContact CB-CB 4.09Å; E236-D318 HydrophobicContact CG-CB 4.23Å; R237-D318 WeakPolarHBondContact CB-OD2 3.42Å; R237-D318 PolarHBondContact N-OD2 3.42Å; R237-D318 PolarHBondContact O-N 2.84Å; D318-K363 VanDerWaalsContact OD1-CD 3.23Å; D318-K363 WeakPolarHBondContact OD1-CD 3.46Å; D318-K363 WeakPolarHBondContact OD1-CE 3.48Å; D318-K363 IonicContact OD1-NZ 3.45Å; D318-K363 PolarHBondContact OD1-NZ 3.43Å; D318-K363 IonicContact OD2-NZ 3.1Å; D318-K363 PolarHBondContact OD2-NZ 3.44Å; D318-G366 WeakPolarHBondContact O-CA 3.36Å; D318-V367 PolarHBondContact O-N 3.28Å |
| 319 | R | 98.9 | Very high | 96.7 | Very high | 31 Ų | 31 | 22.5 Ų | 22.5 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 153.1 | 171.4 | -45.4 | -173.7 | 171.6 | 25.9 | -17.2 | 112.7 | L230 N231 E236 I238 L239 V367 | L230-R319 HydrophobicContact CD1-CB 3.87Å; L230-R319 HydrophobicContact CD2-CB 4.44Å; L230-R319 HydrophobicContact CG-CB 4.17Å; L230-R319 WeakPolarHBondContact O-CD 3.47Å; L230-R319 PolarHBondContact O-NE 3.38Å; N231-R319 PolarHBondContact O-NE 3.18Å; N231-R319 PolarHBondContact O-NH2 3.39Å; E236-R319 VanDerWaalsContact CD-CZ 3.45Å; E236-R319 IonicContact OE1-CZ 2.86Å; E236-R319 IonicContact OE1-NH1 2.68Å; E236-R319 PolarHBondContact OE1-NH1 3.3Å; E236-R319 IonicContact OE1-NH2 3.83Å; E236-R319 PolarHBondContact OE1-NH2 3.13Å; E236-R319 VanDerWaalsContact OE1-NH2 3.08Å; E236-R319 IonicContact OE2-CZ 3.48Å; E236-R319 IonicContact OE2-NE 2.87Å; E236-R319 PolarHBondContact OE2-NE 3.05Å; E236-R319 IonicContact OE2-NH1 3.78Å; E236-R319 PolarHBondContact OE2-NH1 3.4Å; E236-R319 IonicContact OE2-NH2 3.76Å; E236-R319 PolarHBondContact OE2-NH2 2.93Å; I238-R319 WeakPolarHBondContact CA-O 3.48Å; I238-R319 HydrophobicContact CD1-CB 3.66Å; I238-R319 HydrophobicContact CD1-CG 3.77Å; I238-R319 HydrophobicContact CG2-CB 4.44Å; L239-R319 PolarHBondContact N-O 3.02Å; R319-V367 CarbonylContact C-O 3.58Å; R319-V367 WeakPolarHBondContact CA-O 3.49Å; R319-V367 HydrophobicContact CB-CB 4.42Å; R319-V367 HydrophobicContact CG-CB 4.09Å |
| 320 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.9 | 176.4 | -58.3 | -176.9 | 0 | 0 | 0 | 109.7 | L239 M241 F317 A358 L361 L362 V367 L368 V369 | L239-I320 HydrophobicContact CB-CG1 4.03Å; L239-I320 HydrophobicContact CB-CG2 4.32Å; L239-I320 HydrophobicContact CD2-CD1 4.27Å; L239-I320 HydrophobicContact CD2-CG2 4.42Å; L239-I320 CarbonylContact O-C 3.58Å; L239-I320 WeakPolarHBondContact O-CA 3.35Å; M241-I320 HydrophobicContact CG-CG2 3.97Å; M241-I320 HydrophobicContact SD-CG2 3.95Å; F317-I320 HydrophobicContact CB-CD1 4.19Å; F317-I320 HydrophobicContact CB-CG1 3.87Å; F317-I320 HydrophobicContact CG-CG1 4.49Å; I320-A358 HydrophobicContact CD1-CB 4.5Å; I320-A358 WeakPolarHBondContact CD1-O 3.41Å; I320-A358 HydrophobicContact CG2-CB 3.99Å; I320-L361 HydrophobicContact CD1-CB 3.7Å; I320-L362 HydrophobicContact CB-CD1 4.42Å; I320-L362 HydrophobicContact CD1-CB 3.94Å; I320-L362 HydrophobicContact CD1-CD1 4.24Å; I320-L362 HydrophobicContact CG1-CD1 3.91Å; I320-V367 PolarHBondContact N-O 3.13Å; I320-L368 HydrophobicContact CB-CD1 4.03Å; I320-L368 HydrophobicContact CG2-CD1 3.96Å; I320-L368 WeakPolarHBondContact O-CA 3.42Å; I320-L368 WeakPolarHBondContact O-CD1 3.39Å; I320-V369 PolarHBondContact O-N 2.98Å |
| 321 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 120.8 | 164.5 | 174.8 | 59.3 | 0 | 0 | 0 | 109.1 | V226 L230 L239 M241 K248 L252 D323 V369 | V226-L321 HydrophobicContact CG1-CD1 3.4Å; V226-L321 VanDerWaalsContact CG1-CD1 3.4Å; V226-L321 HydrophobicContact CG1-CD2 4.34Å; L230-L321 HydrophobicContact CD2-CB 3.97Å; L239-L321 PolarHBondContact O-N 3.37Å; M241-L321 PolarHBondContact N-O 2.95Å; M241-L321 VanDerWaalsContact N-O 3.08Å; K248-L321 HydrophobicContact CB-CD2 3.65Å; K248-L321 HydrophobicContact CD-CD2 3.77Å; K248-L321 HydrophobicContact CG-CD2 4.35Å; L252-L321 HydrophobicContact CD1-CB 4.41Å; L252-L321 HydrophobicContact CD1-CD2 4.04Å; L321-D323 HydrophobicContact CD1-CB 4.38Å; L321-D323 HydrophobicContact CG-CB 4.3Å; L321-V369 HydrophobicContact CD1-CB 4.31Å; L321-V369 HydrophobicContact CD1-CG1 4.21Å |
| 322 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 80.6 | 167.6 | -179.8 | 53.9 | 0 | 0 | 0 | 109.3 | M241 A324 L354 F355 A358 L368 V369 Y370 S371 | M241-L322 HydrophobicContact CB-CD1 4.14Å; M241-L322 HydrophobicContact SD-CD1 4.34Å; L322-A324 HydrophobicContact CD1-CB 4.1Å; L322-A324 HydrophobicContact CG-CB 4.11Å; L322-A324 PolarHBondContact O-N 3.49Å; L322-L354 HydrophobicContact CD1-CB 3.79Å; L322-L354 HydrophobicContact CD1-CD1 4.31Å; L322-L354 HydrophobicContact CD2-CB 4.18Å; L322-F355 VanDerWaalsContact CD2-CA 3.46Å; L322-F355 HydrophobicContact CD2-CB 3.82Å; L322-F355 HydrophobicContact CD2-CD2 3.97Å; L322-F355 HydrophobicContact CD2-CG 4.13Å; L322-A358 HydrophobicContact CD2-CB 4.49Å; L322-L368 HydrophobicContact CB-CD1 4.16Å; L322-V369 PolarHBondContact N-O 2.82Å; L322-Y370 HydrophobicContact CB-CD2 4.44Å; L322-Y370 HydrophobicContact CD2-CD2 3.94Å; L322-Y370 HydrophobicContact CD2-CE2 4.41Å; L322-Y370 HydrophobicContact CG-CD2 3.98Å; L322-Y370 HydrophobicContact CG-CE2 4.48Å; L322-S371 PolarHBondContact O-N 3.14Å |
| 323 | D | 98.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 25.4 Ų | 25.4 | 19% | 0.193 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 77 | 168.3 | -168.6 | 44.1 | 0 | 0 | 0 | 109.3 | C242 K248 L321 S371 | C242-D323 WeakPolarHBondContact CB-O 3.35Å; K248-D323 HydrophobicContact CD-CB 4.1Å; K248-D323 WeakPolarHBondContact CE-OD1 3.28Å; K248-D323 IonicContact NZ-OD1 3.72Å; K248-D323 PolarHBondContact NZ-OD1 3.09Å; K248-D323 VanDerWaalsContact NZ-OD1 3.1Å; K248-D323 IonicContact NZ-OD2 3.35Å; K248-D323 PolarHBondContact NZ-OD2 3.24Å; L321-D323 HydrophobicContact CD1-CB 4.38Å; L321-D323 HydrophobicContact CG-CB 4.3Å; D323-S371 CarbonylContact C-O 3.54Å; D323-S371 PolarHBondContact OD1-OG 3.38Å |
| 324 | A | 97.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | trans | -69.8 | 143.3 | -161.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L322 C326 Q351 Y370 S371 T372 | L322-A324 HydrophobicContact CD1-CB 4.1Å; L322-A324 HydrophobicContact CG-CB 4.11Å; L322-A324 PolarHBondContact O-N 3.49Å; A324-C326 PolarHBondContact O-N 3.3Å; A324-Q351 HydrophobicContact CB-CG 3.92Å; A324-Y370 HydrophobicContact CB-CD2 4.41Å; A324-Y370 HydrophobicContact CB-CE2 3.69Å; A324-S371 PolarHBondContact N-O 3.36Å; A324-T372 HydrophobicContact CB-CG2 4.45Å | ||
| 325 | P | 97.6 | Very high | 97.5 | Very high | 47 Ų | 47 | 20.2 Ų | 20.2 | 31% | 0.305 | 11% | 0.107 | S | C | . | . | trans | -57.9 | 133.2 | 168.5 | 26.3 | -34.4 | 0 | 0 | 0 | 109 | Y347 L350 Q351 L354 | P325-Y347 HydrophobicContact CB-CD1 4.38Å; P325-Y347 HydrophobicContact CB-CE1 4.29Å; P325-Y347 WeakPolarHBondContact O-CD1 3.44Å; P325-L350 HydrophobicContact CG-CD2 3.78Å; P325-L350 HydrophobicContact CG-CG 4.38Å; P325-Q351 PolarHBondContact O-NE2 3.11Å; P325-L354 HydrophobicContact CG-CD1 4.01Å | ||
| 326 | C | 97.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 17.2 Ų | 17.2 | 12% | 0.122 | 10% | 0.097 | C | C | . | . | trans | -141.5 | 175.3 | -175.2 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | A324 G328 T372 C373 T374 E379 | A324-C326 PolarHBondContact O-N 3.3Å; C326-G328 PolarHBondContact O-N 3.43Å; C326-T372 HydrophobicContact CB-CG2 4.18Å; C326-C373 PolarHBondContact SG-N 3.12Å; C326-T374 HydrophobicContact CB-CG2 3.92Å; C326-E379 WeakPolarHBondContact CA-OE2 3.4Å; C326-E379 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 327 | S | 97 | Very high | 97.1 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 3% | 0.028 | 9% | 0.093 | C | C | . | . | trans | -62.1 | -21.2 | 174.6 | 54.5 | 0 | 0 | 0 | 0 | 114 | M329 Y337 T374 E379 | S327-M329 PolarHBondContact O-N 2.77Å; S327-Y337 PolarHBondContact O-OH 3.17Å; S327-T374 WeakPolarHBondContact OG-CB 3.35Å; S327-T374 PolarHBondContact OG-OG1 2.95Å; S327-E379 VanDerWaalsContact CB-OE1 3.32Å; S327-E379 WeakPolarHBondContact CB-OE1 3.35Å; S327-E379 PolarHBondContact N-OE2 3.5Å; S327-E379 PolarHBondContact OG-OE1 3.26Å | ||
| 328 | G | 96.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | trans | 67.1 | 21.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C326 G330 Q331 C373 | C326-G328 PolarHBondContact O-N 3.43Å; G328-G330 PolarHBondContact O-N 3.01Å; G328-G330 VanDerWaalsContact O-N 3.14Å; G328-Q331 WeakPolarHBondContact O-CB 3.46Å; G328-Q331 VanDerWaalsContact O-CG 3.29Å; G328-Q331 WeakPolarHBondContact O-CG 3.45Å; G328-Q331 PolarHBondContact O-N 3.11Å; G328-Q331 VanDerWaalsContact O-N 3.16Å; G328-C373 CarbonylContact C-O 3.56Å | ||
| 329 | M | 95.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.1 | -178 | -70.4 | -178.2 | 149.3 | 0 | 0 | 114.1 | F9 V13 L17 L46 S327 Q331 Y337 V344 I375 T376 | F9-M329 HydrophobicContact CE1-CE 4.1Å; V13-M329 HydrophobicContact CG1-CE 3.55Å; L17-M329 HydrophobicContact CD1-CE 3.93Å; L17-M329 HydrophobicContact CD1-SD 3.96Å; L17-M329 HydrophobicContact CD2-SD 3.93Å; L17-M329 HydrophobicContact CG-SD 4.47Å; L46-M329 WeakPolarHBondContact CD2-O 3.48Å; S327-M329 PolarHBondContact O-N 2.77Å; M329-Q331 VanDerWaalsContact C-N 3.34Å; M329-Y337 HydrophobicContact CE-CD1 3.99Å; M329-Y337 HydrophobicContact CE-CE1 3.5Å; M329-Y337 HydrophobicContact CG-CE1 4.32Å; M329-Y337 HydrophobicContact CG-CE2 4.26Å; M329-V344 HydrophobicContact CE-CB 4.22Å; M329-V344 HydrophobicContact CE-CG1 3.6Å; M329-V344 HydrophobicContact CE-CG2 3.47Å; M329-V344 VanDerWaalsContact CE-CG2 3.47Å; M329-V344 HydrophobicContact SD-CG1 4.02Å; M329-I375 HydrophobicContact CB-CD1 4.33Å; M329-I375 HydrophobicContact CB-CG1 3.85Å; M329-T376 HydrophobicContact SD-CG2 3.77Å |
| 330 | G | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G328 C373 I456 G457 | G328-G330 PolarHBondContact O-N 3.01Å; G328-G330 VanDerWaalsContact O-N 3.14Å; G330-C373 WeakPolarHBondContact CA-O 3.49Å; G330-C373 PolarHBondContact N-O 2.84Å; G330-C373 VanDerWaalsContact N-O 3.12Å; G330-I456 WeakPolarHBondContact O-CB 3.11Å; G330-G457 PolarHBondContact O-N 2.89Å |
| 331 | Q | 97.1 | Very high | 96.2 | Very high | 98 Ų | 98 | 26.7 Ų | 26.7 | 46% | 0.458 | 15% | 0.15 | S | C | . | . | trans | -62.4 | 140.3 | -177.8 | -71 | -178.4 | 2.1 | 0 | 0 | 112.3 | G328 M329 N334 | G328-Q331 WeakPolarHBondContact O-CB 3.46Å; G328-Q331 VanDerWaalsContact O-CG 3.29Å; G328-Q331 WeakPolarHBondContact O-CG 3.45Å; G328-Q331 PolarHBondContact O-N 3.11Å; G328-Q331 VanDerWaalsContact O-N 3.16Å; M329-Q331 VanDerWaalsContact C-N 3.34Å; Q331-N334 VanDerWaalsContact O-CB 3.26Å; Q331-N334 WeakPolarHBondContact O-CB 3.41Å | ||
| 332 | R | 97.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -136.3 | 138.2 | 179.5 | -68.2 | 177.5 | 57.4 | -163.7 | -1.1 | 112.3 | H45 L46 H48 P49 P50 D454 C455 I456 | H45-R332 PolarHBondContact O-NE 3.36Å; L46-R332 HydrophobicContact CD2-CG 4.13Å; H48-R332 PolarHBondContact O-NE 3.1Å; H48-R332 PolarHBondContact O-NH2 3.1Å; P49-R332 PolarHBondContact O-NH2 3.27Å; P50-R332 HydrophobicContact CG-CB 4.05Å; R332-D454 IonicContact CZ-OD1 3.47Å; R332-D454 IonicContact NH1-OD1 2.84Å; R332-D454 PolarHBondContact NH1-OD1 2.92Å; R332-D454 IonicContact NH2-OD1 2.76Å; R332-D454 PolarHBondContact NH2-OD1 3.01Å; R332-D454 IonicContact NH2-OD2 3.57Å; R332-C455 WeakPolarHBondContact CD-O 3.5Å; R332-C455 PolarHBondContact NH1-O 3.45Å; R332-I456 HydrophobicContact CB-CG2 4.1Å |
| 333 | P | 97.4 | Very high | 96 | Very high | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | S | Bend | cis | -72.2 | 147.8 | -8.3 | 29.2 | -31.3 | 0 | 0 | 0 | 111.7 | L46 P49 Y122 L125 | L46-P333 CarbonylContact O-C 3.57Å; P49-P333 HydrophobicContact CB-CB 4.47Å; P49-P333 HydrophobicContact CB-CG 4.21Å; Y122-P333 HydrophobicContact CD1-CG 4.36Å; Y122-P333 WeakPolarHBondContact CD2-O 3.4Å; Y122-P333 HydrophobicContact CG-CG 4.46Å; Y122-P333 VanDerWaalsContact CG-O 3.32Å; L125-P333 HydrophobicContact CB-CG 3.8Å; L125-P333 HydrophobicContact CD1-CB 4.19Å; L125-P333 HydrophobicContact CD1-CG 3.92Å |
| 334 | N | 96.2 | Very high | 95.7 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | trans | -143.5 | 109 | 172 | -170.4 | 3.9 | 0 | 0 | 0 | 109.8 | I7 L46 S47 Y122 Q331 A336 | I7-N334 WeakPolarHBondContact CB-O 3.29Å; I7-N334 HydrophobicContact CD1-CB 3.94Å; I7-N334 WeakPolarHBondContact CD1-O 3.46Å; I7-N334 WeakPolarHBondContact CG1-O 3.26Å; L46-N334 CarbonylContact C-O 3.59Å; L46-N334 PolarHBondContact O-N 2.92Å; S47-N334 WeakPolarHBondContact CA-O 3.12Å; S47-N334 PolarHBondContact N-O 2.92Å; S47-N334 PolarHBondContact OG-O 2.63Å; Y122-N334 PolarHBondContact OH-OD1 3.45Å; Y122-N334 VanDerWaalsContact OH-OD1 3.12Å; Q331-N334 VanDerWaalsContact O-CB 3.26Å; Q331-N334 WeakPolarHBondContact O-CB 3.41Å; N334-A336 PolarHBondContact OD1-O 3.42Å | ||
| 335 | M | 94.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -95.1 | -23.4 | -173.4 | -66.5 | -175.5 | -86 | 0 | 0 | 112.9 | F4 I7 S8 Y122 L125 I154 V170 | F4-M335 HydrophobicContact CD1-SD 4.03Å; F4-M335 HydrophobicContact CE1-SD 4.3Å; F4-M335 HydrophobicContact CG-SD 4.19Å; I7-M335 WeakPolarHBondContact CA-O 3.29Å; S8-M335 PolarHBondContact N-O 2.75Å; Y122-M335 HydrophobicContact CD1-CE 3.87Å; Y122-M335 HydrophobicContact CE1-CB 4.01Å; Y122-M335 HydrophobicContact CE1-CE 3.62Å; Y122-M335 HydrophobicContact CE1-CG 4.07Å; Y122-M335 PolarHBondContact OH-N 3.16Å; L125-M335 HydrophobicContact CD1-CE 3.75Å; I154-M335 HydrophobicContact CB-CB 4.32Å; I154-M335 HydrophobicContact CD1-CB 4.39Å; I154-M335 HydrophobicContact CG2-CB 3.78Å; I154-M335 HydrophobicContact CG2-CE 3.8Å; I154-M335 HydrophobicContact CG2-SD 4.11Å; V170-M335 HydrophobicContact CB-CE 4.44Å; V170-M335 HydrophobicContact CB-SD 4.18Å; V170-M335 HydrophobicContact CG1-CE 4.27Å; V170-M335 HydrophobicContact CG1-SD 3.73Å; V170-M335 HydrophobicContact CG2-SD 4.1Å |
| 336 | A | 93.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 141.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S8 Y122 I154 N334 | S8-A336 WeakPolarHBondContact O-CA 3.47Å; Y122-A336 PolarHBondContact OH-N 3.35Å; Y122-A336 VanDerWaalsContact OH-N 3.14Å; Y122-A336 PolarHBondContact OH-O 3.04Å; I154-A336 HydrophobicContact CB-CB 3.99Å; I154-A336 HydrophobicContact CG1-CB 4.45Å; I154-A336 WeakPolarHBondContact O-CB 3.24Å; N334-A336 PolarHBondContact OD1-O 3.42Å |
| 337 | Y | 92.3 | Very high | 95.5 | Very high | 21 Ų | 21 | 42 Ų | 42 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 106.2 | -176.6 | -171 | -91.8 | 0 | 0 | 0 | 109.5 | S8 F9 S327 M329 W339 V344 | S8-Y337 PolarHBondContact O-N 2.77Å; F9-Y337 AromaticContact CD1-CD1 3.84Å; F9-Y337 HydrophobicContact CD1-CD1 3.84Å; F9-Y337 HydrophobicContact CD1-CG 4.06Å; F9-Y337 AromaticContact CE1-CD1 3.83Å; F9-Y337 HydrophobicContact CE1-CD1 3.83Å; F9-Y337 AromaticContact CE1-CG 3.81Å; F9-Y337 HydrophobicContact CE1-CG 3.81Å; S327-Y337 PolarHBondContact O-OH 3.17Å; M329-Y337 HydrophobicContact CE-CD1 3.99Å; M329-Y337 HydrophobicContact CE-CE1 3.5Å; M329-Y337 HydrophobicContact CG-CE1 4.32Å; M329-Y337 HydrophobicContact CG-CE2 4.26Å; Y337-W339 HydrophobicContact CD1-CB 4.14Å; Y337-W339 HydrophobicContact CE1-CB 3.54Å; Y337-W339 HydrophobicContact CE1-CD2 4.24Å; Y337-W339 HydrophobicContact CE1-CE3 4.39Å; Y337-W339 AromaticContact CE1-CG 3.9Å; Y337-W339 HydrophobicContact CE1-CG 3.9Å; Y337-W339 HydrophobicContact CE2-CD2 4.49Å; Y337-W339 AromaticContact CZ-CD2 3.81Å; Y337-W339 AromaticContact CZ-CE3 3.84Å; Y337-W339 AromaticContact CZ-CG 3.91Å; Y337-W339 WeakPolarHBondContact OH-CZ3 3.34Å; Y337-V344 HydrophobicContact CE1-CG2 3.71Å |
| 338 | S | 90.7 | Very high | 95.6 | Very high | 95 Ų | 95 | 44 Ų | 44 | 66% | 0.664 | 23% | 0.23 | S | C | * | . | trans | -89.6 | 1.4 | -166.1 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | Q10 | Q10-S338 PolarHBondContact NE2-O 2.93Š| ||
| 339 | W | 93.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 47.1 Ų | 47.1 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | trans | -73.8 | 150 | -176 | -65.8 | 11.7 | 0 | 0 | 0 | 111.5 | V13 Y337 E343 V344 Y347 | V13-W339 WeakPolarHBondContact CG2-O 3.45Å; Y337-W339 HydrophobicContact CD1-CB 4.14Å; Y337-W339 HydrophobicContact CE1-CB 3.54Å; Y337-W339 HydrophobicContact CE1-CD2 4.24Å; Y337-W339 HydrophobicContact CE1-CE3 4.39Å; Y337-W339 AromaticContact CE1-CG 3.9Å; Y337-W339 HydrophobicContact CE1-CG 3.9Å; Y337-W339 HydrophobicContact CE2-CD2 4.49Å; Y337-W339 AromaticContact CZ-CD2 3.81Å; Y337-W339 AromaticContact CZ-CE3 3.84Å; Y337-W339 AromaticContact CZ-CG 3.91Å; Y337-W339 WeakPolarHBondContact OH-CZ3 3.34Å; W339-E343 WeakPolarHBondContact CA-OE2 3.49Å; W339-E343 HydrophobicContact CB-CB 4.05Å; W339-E343 HydrophobicContact CD2-CB 4.33Å; W339-E343 HydrophobicContact CE3-CB 4.03Å; W339-E343 HydrophobicContact CG-CB 4.39Å; W339-V344 HydrophobicContact CB-CG2 4.27Å; W339-Y347 HydrophobicContact CE3-CE2 4.32Å; W339-Y347 HydrophobicContact CH2-CE2 4.22Å; W339-Y347 AromaticContact CH2-CZ 3.97Å; W339-Y347 WeakPolarHBondContact CH2-OH 3.48Å; W339-Y347 AromaticContact CZ3-CE2 3.46Å; W339-Y347 HydrophobicContact CZ3-CE2 3.46Å; W339-Y347 VanDerWaalsContact CZ3-CE2 3.46Å; W339-Y347 AromaticContact CZ3-CZ 3.69Å; W339-Y347 WeakPolarHBondContact CZ3-OH 3.37Å | ||
| 340 | T | 96.2 | Very high | 95.8 | Very high | 50 Ų | 50 | 50.3 Ų | 50.3 | 31% | 0.307 | 27% | 0.265 | S | S | . | . | trans | -75.4 | 160.7 | 172.6 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | K342 E343 V344 | T340-K342 PolarHBondContact O-N 2.82Å; T340-E343 WeakPolarHBondContact CB-OE2 3.46Å; T340-E343 PolarHBondContact N-OE2 3.01Å; T340-E343 PolarHBondContact O-N 2.64Å; T340-E343 VanDerWaalsContact O-N 3.11Å; T340-E343 WeakPolarHBondContact OG1-CG 3.32Å; T340-E343 PolarHBondContact OG1-N 2.76Å; T340-E343 PolarHBondContact OG1-OE2 3Å; T340-V344 WeakPolarHBondContact O-CG2 3.32Å; T340-V344 PolarHBondContact O-N 3.42Å; T340-V344 VanDerWaalsContact O-N 3.09Å | ||
| 341 | L | 95.6 | Very high | 95.9 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -35.8 | 175.3 | 179.8 | 59.5 | 0 | 0 | 0 | 112.3 | E12 V13 H16 E343 V344 T345 | E12-L341 HydrophobicContact CB-CB 4.37Å; V13-L341 HydrophobicContact CG2-CB 4.19Å; H16-L341 HydrophobicContact CB-CD1 3.57Å; H16-L341 HydrophobicContact CB-CD2 4.38Å; H16-L341 VanDerWaalsContact CG-CD1 3.48Å; L341-E343 PolarHBondContact O-N 2.99Å; L341-V344 PolarHBondContact O-N 3.33Å; L341-T345 HydrophobicContact CD1-CG2 3.89Å; L341-T345 HydrophobicContact CG-CG2 4.42Å; L341-T345 WeakPolarHBondContact O-CB 3.31Å; L341-T345 WeakPolarHBondContact O-CG2 3.36Å; L341-T345 PolarHBondContact O-N 3.44Å; L341-T345 PolarHBondContact O-OG1 2.7Å |
| 342 | K | 96.4 | Very high | 96 | Very high | 173 Ų | 173 | 49 Ų | 49 | 75% | 0.752 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 176.5 | -176.4 | 177.6 | 178.8 | -179.3 | 0 | 112.1 | T340 T345 S346 | T340-K342 PolarHBondContact O-N 2.82Å; K342-T345 PolarHBondContact O-OG1 2.92Å; K342-S346 WeakPolarHBondContact O-CB 3.36Å; K342-S346 PolarHBondContact O-N 2.76Å |
| 343 | E | 96.3 | Very high | 96 | Very high | 86 Ų | 86 | 54.7 Ų | 54.7 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 176.8 | -73 | 163.5 | 132 | 0 | 0 | 110.8 | W339 T340 L341 T345 S346 Y347 | W339-E343 WeakPolarHBondContact CA-OE2 3.49Å; W339-E343 HydrophobicContact CB-CB 4.05Å; W339-E343 HydrophobicContact CD2-CB 4.33Å; W339-E343 HydrophobicContact CE3-CB 4.03Å; W339-E343 HydrophobicContact CG-CB 4.39Å; T340-E343 WeakPolarHBondContact CB-OE2 3.46Å; T340-E343 PolarHBondContact N-OE2 3.01Å; T340-E343 PolarHBondContact O-N 2.64Å; T340-E343 VanDerWaalsContact O-N 3.11Å; T340-E343 WeakPolarHBondContact OG1-CG 3.32Å; T340-E343 PolarHBondContact OG1-N 2.76Å; T340-E343 PolarHBondContact OG1-OE2 3Å; L341-E343 PolarHBondContact O-N 2.99Å; E343-T345 VanDerWaalsContact C-N 3.33Å; E343-T345 PolarHBondContact O-N 2.72Å; E343-S346 WeakPolarHBondContact O-CB 3.24Å; E343-S346 PolarHBondContact O-N 3.17Å; E343-S346 PolarHBondContact O-OG 2.84Å; E343-Y347 WeakPolarHBondContact O-CD2 3.48Å; E343-Y347 WeakPolarHBondContact O-CE2 3.34Å |
| 344 | V | 93.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 178 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | V13 M329 Y337 W339 T340 L341 S346 | V13-V344 HydrophobicContact CG1-CG2 4.33Å; V13-V344 HydrophobicContact CG2-CG2 4.37Å; M329-V344 HydrophobicContact CE-CB 4.22Å; M329-V344 HydrophobicContact CE-CG1 3.6Å; M329-V344 HydrophobicContact CE-CG2 3.47Å; M329-V344 VanDerWaalsContact CE-CG2 3.47Å; M329-V344 HydrophobicContact SD-CG1 4.02Å; Y337-V344 HydrophobicContact CE1-CG2 3.71Å; W339-V344 HydrophobicContact CB-CG2 4.27Å; T340-V344 WeakPolarHBondContact O-CG2 3.32Å; T340-V344 PolarHBondContact O-N 3.42Å; T340-V344 VanDerWaalsContact O-N 3.09Å; L341-V344 PolarHBondContact O-N 3.33Å; V344-S346 VanDerWaalsContact C-N 3.34Å; V344-S346 PolarHBondContact O-N 3.34Å |
| 345 | T | 94.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 36% | 0.356 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -84.8 | -4.1 | -176.7 | 54.9 | 0 | 0 | 0 | 0 | 114 | L341 K342 E343 Y347 | L341-T345 HydrophobicContact CD1-CG2 3.89Å; L341-T345 HydrophobicContact CG-CG2 4.42Å; L341-T345 WeakPolarHBondContact O-CB 3.31Å; L341-T345 WeakPolarHBondContact O-CG2 3.36Å; L341-T345 PolarHBondContact O-N 3.44Å; L341-T345 PolarHBondContact O-OG1 2.7Å; K342-T345 PolarHBondContact O-OG1 2.92Å; E343-T345 VanDerWaalsContact C-N 3.33Å; E343-T345 PolarHBondContact O-N 2.72Å; T345-Y347 VanDerWaalsContact C-N 3.29Å; T345-Y347 PolarHBondContact O-N 3.3Å |
| 346 | S | 96.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 55.9 Ų | 55.9 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -12.1 | -176.3 | 70.7 | 0 | 0 | 0 | 0 | 115.2 | K342 E343 V344 P349 | K342-S346 WeakPolarHBondContact O-CB 3.36Å; K342-S346 PolarHBondContact O-N 2.76Å; E343-S346 WeakPolarHBondContact O-CB 3.24Å; E343-S346 PolarHBondContact O-N 3.17Å; E343-S346 PolarHBondContact O-OG 2.84Å; V344-S346 VanDerWaalsContact C-N 3.34Å; V344-S346 PolarHBondContact O-N 3.34Å; S346-P349 WeakPolarHBondContact O-CD 3.35Å |
| 347 | Y | 98 | Very high | 96.7 | Very high | 45 Ų | 45 | 55.6 Ų | 55.6 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -81.4 | -33.2 | -172.4 | -72.7 | -86.6 | 0 | 0 | 0 | 113.9 | P325 W339 E343 T345 L350 Q351 E379 | P325-Y347 HydrophobicContact CB-CD1 4.38Å; P325-Y347 HydrophobicContact CB-CE1 4.29Å; P325-Y347 WeakPolarHBondContact O-CD1 3.44Å; W339-Y347 HydrophobicContact CE3-CE2 4.32Å; W339-Y347 HydrophobicContact CH2-CE2 4.22Å; W339-Y347 AromaticContact CH2-CZ 3.97Å; W339-Y347 WeakPolarHBondContact CH2-OH 3.48Å; W339-Y347 AromaticContact CZ3-CE2 3.46Å; W339-Y347 HydrophobicContact CZ3-CE2 3.46Å; W339-Y347 VanDerWaalsContact CZ3-CE2 3.46Å; W339-Y347 AromaticContact CZ3-CZ 3.69Å; W339-Y347 WeakPolarHBondContact CZ3-OH 3.37Å; E343-Y347 WeakPolarHBondContact O-CD2 3.48Å; E343-Y347 WeakPolarHBondContact O-CE2 3.34Å; T345-Y347 VanDerWaalsContact C-N 3.29Å; T345-Y347 PolarHBondContact O-N 3.3Å; Y347-L350 PolarHBondContact O-N 2.78Å; Y347-Q351 VanDerWaalsContact O-CG 3.29Å; Y347-Q351 WeakPolarHBondContact O-CG 3.31Å; Y347-Q351 PolarHBondContact O-N 2.87Å; Y347-E379 WeakPolarHBondContact CB-OE2 3.45Å |
| 348 | Q | 97.9 | Very high | 97 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.2 | -48 | -176 | -171.2 | -172 | 66.9 | 0 | 0 | 112.7 | L350 Q351 R352 S378 E382 | Q348-L350 PolarHBondContact O-N 2.96Å; Q348-Q351 PolarHBondContact O-N 2.89Å; Q348-R352 WeakPolarHBondContact O-CG 3.42Å; Q348-R352 PolarHBondContact O-N 3.01Å; Q348-S378 WeakPolarHBondContact CG-O 3.46Å; Q348-S378 PolarHBondContact NE2-O 2.77Å; Q348-E382 PolarHBondContact NE2-OE2 2.76Å |
| 349 | P | 98.3 | Very high | 97.4 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 47% | 0.468 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 178.1 | -21.7 | 34.9 | 0 | 0 | 0 | 113.6 | S346 K353 | S346-P349 WeakPolarHBondContact O-CD 3.35Å; P349-K353 WeakPolarHBondContact O-CG 3.3Å; P349-K353 PolarHBondContact O-N 3.06Å; P349-K353 VanDerWaalsContact O-N 3.16Å |
| 350 | L | 98.4 | Very high | 97.6 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 177.1 | 174.9 | 61 | 0 | 0 | 0 | 110.8 | T295 P325 Y347 Q348 R352 K353 L354 | T295-L350 HydrophobicContact CG2-CD1 3.8Å; P325-L350 HydrophobicContact CG-CD2 3.78Å; P325-L350 HydrophobicContact CG-CG 4.38Å; Y347-L350 PolarHBondContact O-N 2.78Å; Q348-L350 PolarHBondContact O-N 2.96Å; L350-R352 VanDerWaalsContact C-N 3.34Å; L350-R352 PolarHBondContact O-N 2.94Å; L350-K353 WeakPolarHBondContact O-CB 3.44Å; L350-K353 PolarHBondContact O-N 3.29Å; L350-L354 HydrophobicContact CD1-CD1 4.26Å; L350-L354 HydrophobicContact CD1-CG 4.37Å; L350-L354 HydrophobicContact CG-CD1 4.14Å; L350-L354 WeakPolarHBondContact O-CG 3.47Å; L350-L354 PolarHBondContact O-N 3.41Å |
| 351 | Q | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 177.7 | -68.8 | 169.1 | -1 | 0 | 0 | 110.9 | A324 P325 Y347 Q348 K353 L354 F355 Y370 E379 | A324-Q351 HydrophobicContact CB-CG 3.92Å; P325-Q351 PolarHBondContact O-NE2 3.11Å; Y347-Q351 VanDerWaalsContact O-CG 3.29Å; Y347-Q351 WeakPolarHBondContact O-CG 3.31Å; Y347-Q351 PolarHBondContact O-N 2.87Å; Q348-Q351 PolarHBondContact O-N 2.89Å; Q351-K353 VanDerWaalsContact C-N 3.35Å; Q351-K353 PolarHBondContact O-N 2.97Å; Q351-L354 PolarHBondContact O-N 3Å; Q351-F355 VanDerWaalsContact O-CB 3.27Å; Q351-F355 WeakPolarHBondContact O-CB 3.43Å; Q351-F355 PolarHBondContact O-N 2.75Å; Q351-Y370 PolarHBondContact OE1-OH 2.89Å; Q351-Y370 VanDerWaalsContact OE1-OH 3.1Å; Q351-E379 PolarHBondContact NE2-OE2 2.89Å |
| 352 | R | 98.8 | Very high | 97.8 | Very high | 72 Ų | 72 | 47 Ų | 47 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.1 | -69.4 | -175 | -179.3 | -173.8 | -0 | 112.9 | Q348 L350 F355 T356 W386 | Q348-R352 WeakPolarHBondContact O-CG 3.42Å; Q348-R352 PolarHBondContact O-N 3.01Å; L350-R352 VanDerWaalsContact C-N 3.34Å; L350-R352 PolarHBondContact O-N 2.94Å; R352-F355 PolarHBondContact O-N 3.15Å; R352-T356 WeakPolarHBondContact O-CB 3.48Å; R352-T356 PolarHBondContact O-N 3.02Å; R352-T356 PolarHBondContact O-OG1 3.05Å; R352-W386 HydrophobicContact CB-CE3 4.47Å; R352-W386 HydrophobicContact CB-CH2 3.66Å; R352-W386 HydrophobicContact CB-CZ2 3.81Å; R352-W386 HydrophobicContact CB-CZ3 4.03Å; R352-W386 HydrophobicContact CG-CD2 3.8Å; R352-W386 HydrophobicContact CG-CE3 3.78Å; R352-W386 HydrophobicContact CG-CH2 3.89Å; R352-W386 HydrophobicContact CG-CZ2 3.93Å; R352-W386 HydrophobicContact CG-CZ3 3.82Å; R352-W386 VanDerWaalsContact CZ-CD1 3.48Å; R352-W386 WeakPolarHBondContact O-CH2 3.49Å |
| 353 | K | 98.8 | Very high | 97.9 | Very high | 131 Ų | 131 | 42 Ų | 42 | 57% | 0.57 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.1 | -47.8 | 175.3 | -73.8 | 175 | -177.4 | -179.3 | 0 | 111.7 | T295 P349 L350 Q351 T356 V357 | T295-K353 HydrophobicContact CG2-CB 3.99Å; P349-K353 WeakPolarHBondContact O-CG 3.3Å; P349-K353 PolarHBondContact O-N 3.06Å; P349-K353 VanDerWaalsContact O-N 3.16Å; L350-K353 WeakPolarHBondContact O-CB 3.44Å; L350-K353 PolarHBondContact O-N 3.29Å; Q351-K353 VanDerWaalsContact C-N 3.35Å; Q351-K353 PolarHBondContact O-N 2.97Å; K353-T356 PolarHBondContact O-N 3.49Å; K353-V357 PolarHBondContact O-N 3.07Å |
| 354 | L | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.6 | -68.6 | 167.4 | 0 | 0 | 0 | 111.4 | M241 T295 L322 P325 L350 Q351 T356 V357 A358 | M241-L354 HydrophobicContact CE-CD2 4.26Å; T295-L354 HydrophobicContact CG2-CD2 3.71Å; T295-L354 HydrophobicContact CG2-CG 3.98Å; L322-L354 HydrophobicContact CD1-CB 3.79Å; L322-L354 HydrophobicContact CD1-CD1 4.31Å; L322-L354 HydrophobicContact CD2-CB 4.18Å; P325-L354 HydrophobicContact CG-CD1 4.01Å; L350-L354 HydrophobicContact CD1-CD1 4.26Å; L350-L354 HydrophobicContact CD1-CG 4.37Å; L350-L354 HydrophobicContact CG-CD1 4.14Å; L350-L354 WeakPolarHBondContact O-CG 3.47Å; L350-L354 PolarHBondContact O-N 3.41Å; Q351-L354 PolarHBondContact O-N 3Å; L354-T356 VanDerWaalsContact C-N 3.34Å; L354-T356 PolarHBondContact O-N 3.17Å; L354-V357 PolarHBondContact O-N 3.43Å; L354-V357 VanDerWaalsContact O-N 3.16Å; L354-A358 PolarHBondContact O-N 3.33Å |
| 355 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 178.1 | -157.8 | -64.2 | 0 | 0 | 0 | 111.3 | L322 Q351 R352 V357 A358 V359 L368 Y370 W386 A387 F391 L394 F463 | L322-F355 VanDerWaalsContact CD2-CA 3.46Å; L322-F355 HydrophobicContact CD2-CB 3.82Å; L322-F355 HydrophobicContact CD2-CD2 3.97Å; L322-F355 HydrophobicContact CD2-CG 4.13Å; Q351-F355 VanDerWaalsContact O-CB 3.27Å; Q351-F355 WeakPolarHBondContact O-CB 3.43Å; Q351-F355 PolarHBondContact O-N 2.75Å; R352-F355 PolarHBondContact O-N 3.15Å; F355-V357 VanDerWaalsContact C-N 3.28Å; F355-V357 PolarHBondContact O-N 2.64Å; F355-A358 VanDerWaalsContact O-CB 3.31Å; F355-A358 WeakPolarHBondContact O-CB 3.47Å; F355-A358 PolarHBondContact O-N 2.87Å; F355-A358 VanDerWaalsContact O-N 3.12Å; F355-V359 HydrophobicContact CD1-CG2 3.68Å; F355-V359 HydrophobicContact CE1-CG2 3.63Å; F355-V359 WeakPolarHBondContact O-CG2 3.42Å; F355-V359 PolarHBondContact O-N 3.34Å; F355-L368 HydrophobicContact CD1-CD2 4.21Å; F355-L368 HydrophobicContact CE1-CD2 3.59Å; F355-L368 HydrophobicContact CE2-CD2 4.26Å; F355-L368 HydrophobicContact CZ-CD2 3.61Å; F355-Y370 AromaticContact CD2-CD2 3.82Å; F355-Y370 HydrophobicContact CD2-CD2 3.82Å; F355-Y370 HydrophobicContact CD2-CE2 4.33Å; F355-Y370 HydrophobicContact CD2-CG 4.27Å; F355-Y370 HydrophobicContact CE2-CD2 4.01Å; F355-Y370 AromaticContact CE2-CG 3.99Å; F355-Y370 HydrophobicContact CE2-CG 3.99Å; F355-W386 HydrophobicContact CB-CH2 4.4Å; F355-W386 HydrophobicContact CB-CZ3 3.95Å; F355-W386 HydrophobicContact CD1-CZ3 4.09Å; F355-W386 AromaticContact CG-CZ3 4Å; F355-W386 HydrophobicContact CG-CZ3 4Å; F355-A387 HydrophobicContact CD1-CB 4.39Å; F355-A387 HydrophobicContact CE1-CB 3.67Å; F355-A387 HydrophobicContact CE2-CB 4.17Å; F355-A387 HydrophobicContact CZ-CB 3.55Å; F355-F391 HydrophobicContact CD1-CD2 4.35Å; F355-F391 AromaticContact CD1-CE2 4Å; F355-F391 HydrophobicContact CD1-CE2 4Å; F355-F391 HydrophobicContact CE1-CD2 4.3Å; F355-F391 HydrophobicContact CE1-CE2 4.4Å; F355-L394 HydrophobicContact CE1-CD1 3.7Å; F355-L394 HydrophobicContact CZ-CD1 4.21Å; F355-F463 HydrophobicContact CE2-CE2 4.1Å; F355-F463 HydrophobicContact CZ-CD2 4.1Å; F355-F463 AromaticContact CZ-CE2 3.77Å; F355-F463 HydrophobicContact CZ-CE2 3.77Å; F355-F463 HydrophobicContact CZ-CZ 4.13Å |
| 356 | T | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 24% | 0.239 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.8 | -41.6 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | R352 K353 L354 K360 F391 | R352-T356 WeakPolarHBondContact O-CB 3.48Å; R352-T356 PolarHBondContact O-N 3.02Å; R352-T356 PolarHBondContact O-OG1 3.05Å; K353-T356 PolarHBondContact O-N 3.49Å; L354-T356 VanDerWaalsContact C-N 3.34Å; L354-T356 PolarHBondContact O-N 3.17Å; T356-K360 WeakPolarHBondContact O-CG 3.42Å; T356-K360 PolarHBondContact O-N 2.73Å; T356-F391 HydrophobicContact CG2-CE1 4.38Å; T356-F391 HydrophobicContact CG2-CZ 4.16Å |
| 357 | V | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.8 | -42.6 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | M241 G294 A297 L298 K353 L354 F355 V359 K360 L361 | M241-V357 HydrophobicContact CE-CB 3.99Å; M241-V357 HydrophobicContact CE-CG1 3.76Å; G294-V357 WeakPolarHBondContact O-CG1 3.48Å; A297-V357 HydrophobicContact CB-CG1 4.07Å; L298-V357 HydrophobicContact CB-CG1 4.27Å; K353-V357 PolarHBondContact O-N 3.07Å; L354-V357 PolarHBondContact O-N 3.43Å; L354-V357 VanDerWaalsContact O-N 3.16Å; F355-V357 VanDerWaalsContact C-N 3.28Å; F355-V357 PolarHBondContact O-N 2.64Å; V357-V359 PolarHBondContact O-N 2.99Å; V357-K360 PolarHBondContact O-N 2.81Å; V357-L361 HydrophobicContact CG1-CD1 3.69Å; V357-L361 HydrophobicContact CG1-CG 4.17Å; V357-L361 WeakPolarHBondContact O-CG 3.41Å; V357-L361 PolarHBondContact O-N 2.99Å |
| 358 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.6 | -51.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M241 I320 L322 L354 F355 K360 L361 L362 L368 | M241-A358 HydrophobicContact SD-CB 3.54Å; M241-A358 VanDerWaalsContact SD-CB 3.54Å; I320-A358 HydrophobicContact CD1-CB 4.5Å; I320-A358 WeakPolarHBondContact CD1-O 3.41Å; I320-A358 HydrophobicContact CG2-CB 3.99Å; L322-A358 HydrophobicContact CD2-CB 4.49Å; L354-A358 PolarHBondContact O-N 3.33Å; F355-A358 VanDerWaalsContact O-CB 3.31Å; F355-A358 WeakPolarHBondContact O-CB 3.47Å; F355-A358 PolarHBondContact O-N 2.87Å; F355-A358 VanDerWaalsContact O-N 3.12Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.04Å; A358-L361 PolarHBondContact O-N 2.96Å; A358-L361 VanDerWaalsContact O-N 3.14Å; A358-L362 WeakPolarHBondContact O-CB 3.13Å; A358-L362 PolarHBondContact O-N 2.91Å; A358-L368 HydrophobicContact CB-CD1 3.93Å; A358-L368 HydrophobicContact CB-CD2 4.32Å |
| 359 | V | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -36.9 | -178.3 | 177.8 | 0 | 0 | 0 | 0 | 112.7 | F355 V357 L368 F391 L394 K465 | F355-V359 HydrophobicContact CD1-CG2 3.68Å; F355-V359 HydrophobicContact CE1-CG2 3.63Å; F355-V359 WeakPolarHBondContact O-CG2 3.42Å; F355-V359 PolarHBondContact O-N 3.34Å; V357-V359 PolarHBondContact O-N 2.99Å; V359-L368 HydrophobicContact CG2-CD2 4.12Å; V359-F391 HydrophobicContact CB-CD1 4.25Å; V359-F391 HydrophobicContact CB-CE1 4.36Å; V359-F391 HydrophobicContact CG1-CB 4.35Å; V359-F391 HydrophobicContact CG1-CD1 3.78Å; V359-F391 HydrophobicContact CG1-CE1 4.31Å; V359-F391 HydrophobicContact CG1-CG 4.07Å; V359-F391 HydrophobicContact CG2-CD1 4.38Å; V359-F391 HydrophobicContact CG2-CD2 4.13Å; V359-F391 HydrophobicContact CG2-CE2 4.31Å; V359-F391 HydrophobicContact CG2-CG 4.17Å; V359-L394 HydrophobicContact CG1-CD2 4.39Å; V359-L394 HydrophobicContact CG1-CG 4.46Å; V359-L394 HydrophobicContact CG2-CD1 3.7Å; V359-L394 HydrophobicContact CG2-CD2 4.44Å; V359-L394 HydrophobicContact CG2-CG 4.38Å; V359-K465 PolarHBondContact O-NZ 2.74Å; V359-K465 VanDerWaalsContact O-NZ 3.08Å |
| 360 | K | 98.2 | Very high | 98.7 | Very high | 106 Ų | 106 | 29.3 Ų | 29.3 | 46% | 0.461 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -73.4 | -33.4 | 178.5 | -69.8 | 179.9 | 179.7 | -174.3 | 0 | 112.6 | L298 P314 E315 T356 V357 A358 | L298-K360 HydrophobicContact CD1-CB 3.99Å; L298-K360 HydrophobicContact CD2-CB 3.91Å; L298-K360 HydrophobicContact CD2-CD 3.44Å; L298-K360 VanDerWaalsContact CD2-CD 3.44Å; L298-K360 HydrophobicContact CD2-CG 4.31Å; P314-K360 CarbonylContact C-O 3.38Å; P314-K360 VanDerWaalsContact CA-O 3.31Å; P314-K360 WeakPolarHBondContact CA-O 3.06Å; E315-K360 PolarHBondContact N-O 3.27Å; T356-K360 WeakPolarHBondContact O-CG 3.42Å; T356-K360 PolarHBondContact O-N 2.73Å; V357-K360 PolarHBondContact O-N 2.81Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.04Å |
| 361 | L | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -79.1 | -20.3 | 177.4 | -71.8 | 179.1 | 0 | 0 | 0 | 113.3 | L239 A297 L298 F312 L313 E315 S316 F317 I320 V357 A358 | L239-L361 HydrophobicContact CD2-CD1 3.72Å; A297-L361 HydrophobicContact CB-CD1 4.13Å; L298-L361 HydrophobicContact CD1-CD2 3.65Å; L298-L361 HydrophobicContact CD1-CG 4.19Å; F312-L361 HydrophobicContact CB-CD2 3.84Å; L313-L361 VanDerWaalsContact O-CD2 3.27Å; L313-L361 WeakPolarHBondContact O-CD2 3.37Å; E315-L361 CarbonylContact C-O 3.56Å; E315-L361 WeakPolarHBondContact CA-O 3.46Å; E315-L361 PolarHBondContact N-O 3.02Å; S316-L361 PolarHBondContact N-O 2.84Å; F317-L361 HydrophobicContact CD2-CB 4.15Å; F317-L361 PolarHBondContact N-O 2.7Å; I320-L361 HydrophobicContact CD1-CB 3.7Å; V357-L361 HydrophobicContact CG1-CD1 3.69Å; V357-L361 HydrophobicContact CG1-CG 4.17Å; V357-L361 WeakPolarHBondContact O-CG 3.41Å; V357-L361 PolarHBondContact O-N 2.99Å; A358-L361 PolarHBondContact O-N 2.96Å; A358-L361 VanDerWaalsContact O-N 3.14Å |
| 362 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.7 | -177.1 | -171.2 | 65.5 | 0 | 0 | 0 | 112.1 | I320 A358 V367 L368 K465 | I320-L362 HydrophobicContact CB-CD1 4.42Å; I320-L362 HydrophobicContact CD1-CB 3.94Å; I320-L362 HydrophobicContact CD1-CD1 4.24Å; I320-L362 HydrophobicContact CG1-CD1 3.91Å; A358-L362 WeakPolarHBondContact O-CB 3.13Å; A358-L362 PolarHBondContact O-N 2.91Å; L362-V367 WeakPolarHBondContact CD1-O 3.3Å; L362-L368 HydrophobicContact CD2-CB 3.86Å; L362-K465 HydrophobicContact CB-CD 4.2Å; L362-K465 HydrophobicContact CD2-CB 3.78Å; L362-K465 HydrophobicContact CD2-CD 4.4Å; L362-K465 HydrophobicContact CG-CB 4.28Å; L362-K465 HydrophobicContact CG-CD 4.35Å; L362-K465 WeakPolarHBondContact O-CD 3.3Å; L362-K465 PolarHBondContact O-NZ 2.73Å |
| 363 | K | 98.4 | Very high | 98.7 | Very high | 68 Ų | 68 | 24.2 Ų | 24.2 | 30% | 0.296 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 151.3 | 173.2 | -76.1 | 173.6 | -172.6 | 176.3 | 0 | 112.2 | E315 F317 D318 G365 G366 | E315-K363 WeakPolarHBondContact O-CG 3.44Å; F317-K363 WeakPolarHBondContact O-CB 3.36Å; F317-K363 WeakPolarHBondContact O-CG 3.46Å; F317-K363 PolarHBondContact O-N 3.35Å; D318-K363 VanDerWaalsContact OD1-CD 3.23Å; D318-K363 WeakPolarHBondContact OD1-CD 3.46Å; D318-K363 WeakPolarHBondContact OD1-CE 3.48Å; D318-K363 IonicContact OD1-NZ 3.45Å; D318-K363 PolarHBondContact OD1-NZ 3.43Å; D318-K363 IonicContact OD2-NZ 3.1Å; D318-K363 PolarHBondContact OD2-NZ 3.44Å; K363-G365 PolarHBondContact O-N 3.03Å; K363-G366 WeakPolarHBondContact O-CA 3.34Å; K363-G366 PolarHBondContact O-N 3.13Å |
| 364 | P | 98.3 | Very high | 98.6 | Very high | 47 Ų | 47 | 18 Ų | 18 | 31% | 0.305 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 135.4 | 159.9 | -23 | 34.4 | 0 | 0 | 0 | 110.7 | E315 G366 N467 | E315-P364 WeakPolarHBondContact OE2-CD 3.39Å; P364-G366 PolarHBondContact O-N 3.28Å; P364-N467 VanDerWaalsContact CB-OD1 3.27Å; P364-N467 WeakPolarHBondContact CB-OD1 3.27Å |
| 365 | G | 98.1 | Very high | 98.6 | Very high | 41 Ų | 41 | 18 Ų | 18 | 42% | 0.423 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.6 | -6.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K363 K465 N467 | K363-G365 PolarHBondContact O-N 3.03Å; G365-K465 VanDerWaalsContact CA-O 3.29Å; G365-K465 WeakPolarHBondContact CA-O 3.42Å; G365-K465 PolarHBondContact N-O 3.21Å; G365-N467 PolarHBondContact N-OD1 2.66Å |
| 366 | G | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 18 Ų | 18 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 160.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D318 K363 P364 I464 K465 | D318-G366 WeakPolarHBondContact O-CA 3.36Å; K363-G366 WeakPolarHBondContact O-CA 3.34Å; K363-G366 PolarHBondContact O-N 3.13Å; P364-G366 PolarHBondContact O-N 3.28Å; G366-I464 WeakPolarHBondContact O-CA 3.47Å; G366-K465 PolarHBondContact O-N 3.29Å |
| 367 | V | 98.9 | Very high | 98.5 | Very high | 18 Ų | 18 | 16.5 Ų | 16.5 | 11% | 0.109 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.5 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | L230 D318 R319 I320 L362 V369 K462 F463 | L230-V367 HydrophobicContact CD1-CG1 4.11Å; D318-V367 PolarHBondContact O-N 3.28Å; R319-V367 CarbonylContact C-O 3.58Å; R319-V367 WeakPolarHBondContact CA-O 3.49Å; R319-V367 HydrophobicContact CB-CB 4.42Å; R319-V367 HydrophobicContact CG-CB 4.09Å; I320-V367 PolarHBondContact N-O 3.13Å; L362-V367 WeakPolarHBondContact CD1-O 3.3Å; V367-V369 HydrophobicContact CG1-CG2 4.35Å; V367-K462 HydrophobicContact CG1-CD 4.46Å; V367-K462 HydrophobicContact CG1-CG 4.03Å; V367-F463 WeakPolarHBondContact CA-O 3.38Å |
| 368 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.5 | 168.1 | 171.7 | 61.7 | 0 | 0 | 0 | 109.6 | I320 L322 F355 A358 V359 L362 F463 | I320-L368 HydrophobicContact CB-CD1 4.03Å; I320-L368 HydrophobicContact CG2-CD1 3.96Å; I320-L368 WeakPolarHBondContact O-CA 3.42Å; I320-L368 WeakPolarHBondContact O-CD1 3.39Å; L322-L368 HydrophobicContact CB-CD1 4.16Å; F355-L368 HydrophobicContact CD1-CD2 4.21Å; F355-L368 HydrophobicContact CE1-CD2 3.59Å; F355-L368 HydrophobicContact CE2-CD2 4.26Å; F355-L368 HydrophobicContact CZ-CD2 3.61Å; A358-L368 HydrophobicContact CB-CD1 3.93Å; A358-L368 HydrophobicContact CB-CD2 4.32Å; V359-L368 HydrophobicContact CG2-CD2 4.12Å; L362-L368 HydrophobicContact CD2-CB 3.86Å; L368-F463 HydrophobicContact CB-CB 4.34Å; L368-F463 HydrophobicContact CG-CD2 4.47Å; L368-F463 PolarHBondContact N-O 3.08Å; L368-F463 PolarHBondContact O-N 3.13Å |
| 369 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.4 | 165.7 | 174.9 | 0 | 0 | 0 | 0 | 109.1 | V226 I229 L230 I320 L321 L322 V367 I460 A461 K462 | V226-V369 HydrophobicContact CG1-CG1 4.06Å; I229-V369 HydrophobicContact CG2-CG2 4.01Å; L230-V369 HydrophobicContact CB-CG2 3.99Å; L230-V369 HydrophobicContact CD1-CB 3.9Å; L230-V369 HydrophobicContact CD1-CG2 3.55Å; L230-V369 HydrophobicContact CG-CG2 4.4Å; I320-V369 PolarHBondContact O-N 2.98Å; L321-V369 HydrophobicContact CD1-CB 4.31Å; L321-V369 HydrophobicContact CD1-CG1 4.21Å; L322-V369 PolarHBondContact N-O 2.82Å; V367-V369 HydrophobicContact CG1-CG2 4.35Å; V369-I460 HydrophobicContact CG1-CG2 3.74Å; V369-A461 WeakPolarHBondContact CA-O 3.31Å; V369-K462 HydrophobicContact CG2-CB 4.39Å; V369-K462 HydrophobicContact CG2-CG 4.18Å |
| 370 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.6 | 170.5 | 173.7 | -100.7 | 0 | 0 | 0 | 109 | L322 A324 Q351 F355 T372 E379 Q383 F459 I460 A461 | L322-Y370 HydrophobicContact CB-CD2 4.44Å; L322-Y370 HydrophobicContact CD2-CD2 3.94Å; L322-Y370 HydrophobicContact CD2-CE2 4.41Å; L322-Y370 HydrophobicContact CG-CD2 3.98Å; L322-Y370 HydrophobicContact CG-CE2 4.48Å; A324-Y370 HydrophobicContact CB-CD2 4.41Å; A324-Y370 HydrophobicContact CB-CE2 3.69Å; Q351-Y370 PolarHBondContact OE1-OH 2.89Å; Q351-Y370 VanDerWaalsContact OE1-OH 3.1Å; F355-Y370 AromaticContact CD2-CD2 3.82Å; F355-Y370 HydrophobicContact CD2-CD2 3.82Å; F355-Y370 HydrophobicContact CD2-CE2 4.33Å; F355-Y370 HydrophobicContact CD2-CG 4.27Å; F355-Y370 HydrophobicContact CE2-CD2 4.01Å; F355-Y370 AromaticContact CE2-CG 3.99Å; F355-Y370 HydrophobicContact CE2-CG 3.99Å; Y370-T372 HydrophobicContact CE1-CG2 3.94Å; Y370-T372 HydrophobicContact CE2-CG2 4.33Å; Y370-T372 WeakPolarHBondContact OH-CG2 3.36Å; Y370-E379 PolarHBondContact OH-O 3.22Å; Y370-Q383 HydrophobicContact CE1-CB 4.26Å; Y370-F459 HydrophobicContact CD1-CD1 4.17Å; Y370-F459 HydrophobicContact CD1-CE1 4.01Å; Y370-F459 HydrophobicContact CE1-CD1 4.12Å; Y370-F459 HydrophobicContact CE1-CE1 4.13Å; Y370-I460 WeakPolarHBondContact O-CA 3.41Å; Y370-A461 PolarHBondContact N-O 2.66Å; Y370-A461 PolarHBondContact O-N 2.98Å |
| 371 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.4 | 176.8 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | L322 D323 A324 F459 | L322-S371 PolarHBondContact O-N 3.14Å; D323-S371 CarbonylContact C-O 3.54Å; D323-S371 PolarHBondContact OD1-OG 3.38Å; A324-S371 PolarHBondContact N-O 3.36Å; S371-F459 WeakPolarHBondContact CA-O 3.41Å; S371-F459 WeakPolarHBondContact CB-O 3.34Å |
| 372 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.8 | 171.8 | 71 | 0 | 0 | 0 | 0 | 111 | A324 C326 Y370 N380 F458 F459 | A324-T372 HydrophobicContact CB-CG2 4.45Å; C326-T372 HydrophobicContact CB-CG2 4.18Å; Y370-T372 HydrophobicContact CE1-CG2 3.94Å; Y370-T372 HydrophobicContact CE2-CG2 4.33Å; Y370-T372 WeakPolarHBondContact OH-CG2 3.36Å; T372-N380 PolarHBondContact OG1-ND2 3.01Å; T372-F458 WeakPolarHBondContact O-CA 3.46Å; T372-F458 WeakPolarHBondContact O-CD2 3.49Å; T372-F458 WeakPolarHBondContact O-CG 3.44Å; T372-F459 PolarHBondContact N-O 3.12Å; T372-F459 VanDerWaalsContact N-O 3.1Å; T372-F459 PolarHBondContact O-N 3.47Å |
| 373 | C | 98.1 | Very high | 98.5 | Very high | 30 Ų | 30 | 14.7 Ų | 14.7 | 20% | 0.203 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -104 | 32.2 | 171.9 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | C326 G328 G330 I456 G457 F458 | C326-C373 PolarHBondContact SG-N 3.12Å; G328-C373 CarbonylContact C-O 3.56Å; G330-C373 WeakPolarHBondContact CA-O 3.49Å; G330-C373 PolarHBondContact N-O 2.84Å; G330-C373 VanDerWaalsContact N-O 3.12Å; C373-I456 HydrophobicContact CB-CD1 4.48Å; C373-G457 CarbonylContact C-O 3.57Å; C373-G457 WeakPolarHBondContact CA-O 3.26Å; C373-F458 HydrophobicContact CB-CD2 3.69Å; C373-F458 HydrophobicContact CB-CE2 3.78Å |
| 374 | T | 98.2 | Very high | 98.5 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | trans | -111.6 | 175.4 | 173.5 | -164.8 | 0 | 0 | 0 | 0 | 111.1 | C326 S327 T376 E379 N380 | C326-T374 HydrophobicContact CB-CG2 3.92Å; S327-T374 WeakPolarHBondContact OG-CB 3.35Å; S327-T374 PolarHBondContact OG-OG1 2.95Å; T374-T376 WeakPolarHBondContact CG2-OG1 3.33Å; T374-E379 HydrophobicContact CG2-CB 3.73Å; T374-E379 HydrophobicContact CG2-CG 4.35Å; T374-N380 PolarHBondContact O-OD1 2.81Å | ||
| 375 | I | 97.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 3% | 0.026 | 7% | 0.072 | C | C | . | . | trans | -122 | 1.5 | -178.1 | 57.3 | 164.2 | 0 | 0 | 0 | 111.7 | F21 L42 L46 M329 R423 | F21-I375 HydrophobicContact CE2-CD1 4.16Å; F21-I375 HydrophobicContact CZ-CB 4.08Å; F21-I375 HydrophobicContact CZ-CD1 3.96Å; F21-I375 HydrophobicContact CZ-CG1 4.21Å; F21-I375 VanDerWaalsContact CZ-O 3.29Å; F21-I375 WeakPolarHBondContact CZ-O 3.25Å; L42-I375 HydrophobicContact CD2-CD1 3.8Å; L42-I375 HydrophobicContact CG-CD1 4.35Å; L46-I375 HydrophobicContact CD1-CD1 4.14Å; M329-I375 HydrophobicContact CB-CD1 4.33Å; M329-I375 HydrophobicContact CB-CG1 3.85Å; I375-R423 PolarHBondContact O-NH2 2.75Å | ||
| 376 | T | 97.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.012 | 6% | 0.057 | C | C | . | . | trans | -76.5 | 134.8 | -176 | 53.4 | 0 | 0 | 0 | 0 | 110.5 | L17 M329 T374 S378 E379 N380 | L17-T376 HydrophobicContact CD2-CG2 4Å; M329-T376 HydrophobicContact SD-CG2 3.77Å; T374-T376 WeakPolarHBondContact CG2-OG1 3.33Å; T376-S378 PolarHBondContact O-N 3.35Å; T376-E379 PolarHBondContact O-N 2.75Å; T376-E379 VanDerWaalsContact OG1-CB 3.31Å; T376-E379 WeakPolarHBondContact OG1-CB 3.33Å; T376-E379 VanDerWaalsContact OG1-CD 3.27Å; T376-E379 VanDerWaalsContact OG1-CG 3.27Å; T376-E379 WeakPolarHBondContact OG1-CG 3.41Å; T376-E379 PolarHBondContact OG1-OE1 3.07Å; T376-N380 VanDerWaalsContact O-CB 3.31Å; T376-N380 WeakPolarHBondContact O-CB 3.35Å; T376-N380 VanDerWaalsContact O-CG 3.27Å; T376-N380 PolarHBondContact O-N 2.88Å | ||
| 377 | L | 97.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 9.8 Ų | 9.8 | 3% | 0.031 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -60 | -37.5 | 176.4 | -169.6 | 77.2 | 0 | 0 | 0 | 111.5 | V20 E379 N380 E381 E382 M408 A411 | V20-L377 HydrophobicContact CG1-CB 3.57Å; L377-E379 VanDerWaalsContact C-N 3.3Å; L377-E379 PolarHBondContact O-N 2.83Å; L377-N380 CarbonylContact O-C 3.58Å; L377-N380 PolarHBondContact O-N 2.89Å; L377-N380 VanDerWaalsContact O-N 3.08Å; L377-E381 HydrophobicContact CD1-CB 3.88Å; L377-E381 HydrophobicContact CD1-CG 4.35Å; L377-E381 PolarHBondContact O-N 2.93Å; L377-E382 HydrophobicContact CD2-CG 4.42Å; L377-E382 HydrophobicContact CG-CG 4.16Å; L377-E382 WeakPolarHBondContact O-CB 3.43Å; L377-E382 PolarHBondContact O-N 2.94Å; L377-M408 HydrophobicContact CB-CE 3.83Å; L377-M408 HydrophobicContact CD1-CB 4.48Å; L377-M408 HydrophobicContact CD1-CE 3.52Å; L377-M408 HydrophobicContact CG-CE 4.2Å; L377-A411 HydrophobicContact CD1-CB 4.37Å |
| 378 | S | 98.1 | Very high | 98.6 | Very high | 20 Ų | 20 | 10.9 Ų | 10.9 | 14% | 0.14 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -67.3 | -24.4 | -177.3 | 59.7 | 0 | 0 | 0 | 0 | 115 | Q348 T376 E382 Q383 | Q348-S378 WeakPolarHBondContact CG-O 3.46Å; Q348-S378 PolarHBondContact NE2-O 2.77Å; T376-S378 PolarHBondContact O-N 3.35Å; S378-E382 WeakPolarHBondContact CA-OE2 3.49Å; S378-Q383 WeakPolarHBondContact O-CG 3.42Å |
| 379 | E | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -101.6 | 0.6 | 175.3 | -58.4 | 176.4 | -103.1 | 0 | 0 | 111.3 | C326 S327 Y347 Q351 Y370 T374 T376 L377 | C326-E379 WeakPolarHBondContact CA-OE2 3.4Å; C326-E379 WeakPolarHBondContact CB-OE2 3.44Å; S327-E379 VanDerWaalsContact CB-OE1 3.32Å; S327-E379 WeakPolarHBondContact CB-OE1 3.35Å; S327-E379 PolarHBondContact N-OE2 3.5Å; S327-E379 PolarHBondContact OG-OE1 3.26Å; Y347-E379 WeakPolarHBondContact CB-OE2 3.45Å; Q351-E379 PolarHBondContact NE2-OE2 2.89Å; Y370-E379 PolarHBondContact OH-O 3.22Å; T374-E379 HydrophobicContact CG2-CB 3.73Å; T374-E379 HydrophobicContact CG2-CG 4.35Å; T376-E379 PolarHBondContact O-N 2.75Å; T376-E379 VanDerWaalsContact OG1-CB 3.31Å; T376-E379 WeakPolarHBondContact OG1-CB 3.33Å; T376-E379 VanDerWaalsContact OG1-CD 3.27Å; T376-E379 VanDerWaalsContact OG1-CG 3.27Å; T376-E379 WeakPolarHBondContact OG1-CG 3.41Å; T376-E379 PolarHBondContact OG1-OE1 3.07Å; L377-E379 VanDerWaalsContact C-N 3.3Å; L377-E379 PolarHBondContact O-N 2.83Å |
| 380 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -99.2 | -172.9 | -69.6 | -178 | 0 | 0 | 0 | 110.5 | T372 T374 T376 L377 E382 Q383 V384 F459 | T372-N380 PolarHBondContact OG1-ND2 3.01Å; T374-N380 PolarHBondContact O-OD1 2.81Å; T376-N380 VanDerWaalsContact O-CB 3.31Å; T376-N380 WeakPolarHBondContact O-CB 3.35Å; T376-N380 VanDerWaalsContact O-CG 3.27Å; T376-N380 PolarHBondContact O-N 2.88Å; L377-N380 CarbonylContact O-C 3.58Å; L377-N380 PolarHBondContact O-N 2.89Å; L377-N380 VanDerWaalsContact O-N 3.08Å; N380-E382 VanDerWaalsContact C-N 3.3Å; N380-E382 PolarHBondContact O-N 3.27Å; N380-Q383 WeakPolarHBondContact O-CA 3.42Å; N380-Q383 VanDerWaalsContact O-CB 3.32Å; N380-Q383 WeakPolarHBondContact O-CB 3.47Å; N380-Q383 PolarHBondContact O-N 3.44Å; N380-V384 PolarHBondContact O-N 3.38Å; N380-V384 VanDerWaalsContact O-N 3.15Å; N380-F459 HydrophobicContact CB-CB 4.29Å; N380-F459 HydrophobicContact CB-CD1 3.9Å; N380-F459 HydrophobicContact CB-CD2 3.8Å; N380-F459 HydrophobicContact CB-CE1 4.11Å; N380-F459 HydrophobicContact CB-CE2 4.02Å; N380-F459 HydrophobicContact CB-CG 3.73Å; N380-F459 HydrophobicContact CB-CZ 4.16Å; N380-F459 VanDerWaalsContact OD1-CB 3.31Å; N380-F459 WeakPolarHBondContact OD1-CB 3.39Å |
| 381 | E | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.4 | -34.1 | -174.2 | -65.1 | 85 | 173.7 | 0 | 0 | 112.6 | L377 Q383 V384 A385 M408 A411 L413 L418 L421 R423 F459 | L377-E381 HydrophobicContact CD1-CB 3.88Å; L377-E381 HydrophobicContact CD1-CG 4.35Å; L377-E381 PolarHBondContact O-N 2.93Å; E381-Q383 VanDerWaalsContact C-N 3.26Å; E381-Q383 PolarHBondContact O-N 3.28Å; E381-V384 PolarHBondContact O-N 3.2Å; E381-A385 PolarHBondContact O-N 2.77Å; E381-M408 WeakPolarHBondContact CG-O 3.49Å; E381-M408 WeakPolarHBondContact OE1-CB 3.26Å; E381-M408 PolarHBondContact OE1-N 3.3Å; E381-A411 VanDerWaalsContact C-CB 3.49Å; E381-A411 HydrophobicContact CB-CB 3.59Å; E381-L413 HydrophobicContact CB-CD1 4.1Å; E381-L413 HydrophobicContact CG-CD1 4.5Å; E381-L418 HydrophobicContact CG-CD2 4.44Å; E381-L421 HydrophobicContact CG-CD1 4.02Å; E381-R423 WeakPolarHBondContact OE1-CD 3.4Å; E381-R423 IonicContact OE1-CZ 2.95Å; E381-R423 IonicContact OE1-NH1 2.82Å; E381-R423 PolarHBondContact OE1-NH1 2.93Å; E381-R423 IonicContact OE2-NH1 3.33Å; E381-R423 PolarHBondContact OE2-NH1 3Å; E381-F459 HydrophobicContact CG-CE2 4.03Å; E381-F459 HydrophobicContact CG-CZ 4.43Å |
| 382 | E | 98.8 | Very high | 98.4 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.5 | -30.5 | 173.4 | -75.3 | 178.1 | -153.4 | 0 | 0 | 112.5 | Q348 L377 S378 N380 W386 A411 | Q348-E382 PolarHBondContact NE2-OE2 2.76Å; L377-E382 HydrophobicContact CD2-CG 4.42Å; L377-E382 HydrophobicContact CG-CG 4.16Å; L377-E382 WeakPolarHBondContact O-CB 3.43Å; L377-E382 PolarHBondContact O-N 2.94Å; S378-E382 WeakPolarHBondContact CA-OE2 3.49Å; N380-E382 VanDerWaalsContact C-N 3.3Å; N380-E382 PolarHBondContact O-N 3.27Å; E382-W386 VanDerWaalsContact O-CB 3.25Å; E382-W386 WeakPolarHBondContact O-CB 3.44Å; E382-W386 PolarHBondContact O-N 3.38Å; E382-A411 HydrophobicContact CG-CB 4.08Å |
| 383 | Q | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72 | -36.1 | 175.8 | -64.1 | -68.4 | 95.6 | 0 | 0 | 111.1 | Y370 S378 N380 E381 A387 | Y370-Q383 HydrophobicContact CE1-CB 4.26Å; S378-Q383 WeakPolarHBondContact O-CG 3.42Å; N380-Q383 WeakPolarHBondContact O-CA 3.42Å; N380-Q383 VanDerWaalsContact O-CB 3.32Å; N380-Q383 WeakPolarHBondContact O-CB 3.47Å; N380-Q383 PolarHBondContact O-N 3.44Å; E381-Q383 VanDerWaalsContact C-N 3.26Å; E381-Q383 PolarHBondContact O-N 3.28Å; Q383-A387 VanDerWaalsContact O-CB 3.24Å; Q383-A387 WeakPolarHBondContact O-CB 3.44Å; Q383-A387 PolarHBondContact O-N 3.4Å |
| 384 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -48.5 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | N380 E381 W386 A387 L388 L396 L413 L421 F459 A461 F463 | N380-V384 PolarHBondContact O-N 3.38Å; N380-V384 VanDerWaalsContact O-N 3.15Å; E381-V384 PolarHBondContact O-N 3.2Å; V384-W386 PolarHBondContact O-N 2.85Å; V384-A387 PolarHBondContact O-N 2.72Å; V384-L388 HydrophobicContact CG1-CD1 4.07Å; V384-L388 HydrophobicContact CG1-CG 4.42Å; V384-L388 WeakPolarHBondContact O-CG 3.04Å; V384-L388 PolarHBondContact O-N 3.14Å; V384-L396 HydrophobicContact CG1-CD1 4.09Å; V384-L396 HydrophobicContact CG1-CD2 4.34Å; V384-L413 HydrophobicContact CB-CD1 4.24Å; V384-L413 HydrophobicContact CG1-CD1 4.07Å; V384-L413 HydrophobicContact CG1-CD2 4.38Å; V384-L421 HydrophobicContact CG1-CD2 4.28Å; V384-L421 HydrophobicContact CG2-CD2 4.04Å; V384-F459 HydrophobicContact CG2-CE1 3.87Å; V384-F459 HydrophobicContact CG2-CZ 3.68Å; V384-A461 HydrophobicContact CG2-CB 3.65Å; V384-F463 HydrophobicContact CB-CZ 4.36Å; V384-F463 HydrophobicContact CG1-CE1 4.22Å; V384-F463 HydrophobicContact CG1-CZ 3.98Å; V384-F463 HydrophobicContact CG2-CZ 4.11Å |
| 385 | A | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 21% | 0.207 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.7 | -49 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E381 A387 L388 E389 L413 | E381-A385 PolarHBondContact O-N 2.77Å; A385-A387 VanDerWaalsContact C-N 3.34Å; A385-A387 PolarHBondContact O-N 2.82Å; A385-L388 PolarHBondContact O-N 3.42Å; A385-E389 PolarHBondContact O-N 3.3Å; A385-E389 VanDerWaalsContact O-N 3.07Å; A385-L413 HydrophobicContact CB-CD2 3.98Å; A385-L413 HydrophobicContact CB-CG 4.35Å |
| 386 | W | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 34.4 Ų | 34.4 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 174.9 | 169.2 | 78.2 | 0 | 0 | 0 | 112.4 | R352 F355 E382 V384 E389 N390 F391 | R352-W386 HydrophobicContact CB-CE3 4.47Å; R352-W386 HydrophobicContact CB-CH2 3.66Å; R352-W386 HydrophobicContact CB-CZ2 3.81Å; R352-W386 HydrophobicContact CB-CZ3 4.03Å; R352-W386 HydrophobicContact CG-CD2 3.8Å; R352-W386 HydrophobicContact CG-CE3 3.78Å; R352-W386 HydrophobicContact CG-CH2 3.89Å; R352-W386 HydrophobicContact CG-CZ2 3.93Å; R352-W386 HydrophobicContact CG-CZ3 3.82Å; R352-W386 VanDerWaalsContact CZ-CD1 3.48Å; R352-W386 WeakPolarHBondContact O-CH2 3.49Å; F355-W386 HydrophobicContact CB-CH2 4.4Å; F355-W386 HydrophobicContact CB-CZ3 3.95Å; F355-W386 HydrophobicContact CD1-CZ3 4.09Å; F355-W386 AromaticContact CG-CZ3 4Å; F355-W386 HydrophobicContact CG-CZ3 4Å; E382-W386 VanDerWaalsContact O-CB 3.25Å; E382-W386 WeakPolarHBondContact O-CB 3.44Å; E382-W386 PolarHBondContact O-N 3.38Å; V384-W386 PolarHBondContact O-N 2.85Å; W386-E389 PolarHBondContact O-N 2.78Å; W386-N390 HydrophobicContact CZ2-CB 4.45Å; W386-N390 PolarHBondContact NE1-ND2 2.84Å; W386-N390 VanDerWaalsContact NE1-ND2 3.2Å; W386-N390 WeakPolarHBondContact O-CB 3.21Å; W386-N390 PolarHBondContact O-N 3.47Å; W386-N390 PolarHBondContact O-ND2 3.42Å; W386-F391 AromaticContact CH2-CE2 3.48Å; W386-F391 HydrophobicContact CH2-CE2 3.48Å; W386-F391 VanDerWaalsContact CH2-CE2 3.48Å; W386-F391 AromaticContact CH2-CZ 3.91Å; W386-F391 HydrophobicContact CH2-CZ 3.91Å; W386-F391 HydrophobicContact CZ2-CE2 4.1Å; W386-F391 HydrophobicContact CZ2-CZ 4.36Å; W386-F391 AromaticContact CZ3-CE2 3.76Å; W386-F391 HydrophobicContact CZ3-CE2 3.76Å |
| 387 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F355 Q383 V384 A385 E389 N390 F391 F463 | F355-A387 HydrophobicContact CD1-CB 4.39Å; F355-A387 HydrophobicContact CE1-CB 3.67Å; F355-A387 HydrophobicContact CE2-CB 4.17Å; F355-A387 HydrophobicContact CZ-CB 3.55Å; Q383-A387 VanDerWaalsContact O-CB 3.24Å; Q383-A387 WeakPolarHBondContact O-CB 3.44Å; Q383-A387 PolarHBondContact O-N 3.4Å; V384-A387 PolarHBondContact O-N 2.72Å; A385-A387 VanDerWaalsContact C-N 3.34Å; A385-A387 PolarHBondContact O-N 2.82Å; A387-E389 VanDerWaalsContact C-N 3.32Å; A387-E389 PolarHBondContact O-N 2.89Å; A387-N390 PolarHBondContact O-N 3.04Å; A387-F391 HydrophobicContact CB-CD2 4.37Å; A387-F391 WeakPolarHBondContact O-CB 3.48Å; A387-F391 WeakPolarHBondContact O-CD2 3.31Å; A387-F391 PolarHBondContact O-N 3.4Å; A387-F463 HydrophobicContact CB-CZ 4.45Å |
| 388 | L | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 39.8 Ų | 39.8 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.1 | -33 | 178 | -67.2 | 176.6 | 0 | 0 | 0 | 112.5 | V384 A385 L396 L413 F463 | V384-L388 HydrophobicContact CG1-CD1 4.07Å; V384-L388 HydrophobicContact CG1-CG 4.42Å; V384-L388 WeakPolarHBondContact O-CG 3.04Å; V384-L388 PolarHBondContact O-N 3.14Å; A385-L388 PolarHBondContact O-N 3.42Å; L388-L396 HydrophobicContact CD2-CB 4.33Å; L388-L413 HydrophobicContact CD1-CD2 4.28Å; L388-F463 HydrophobicContact CD2-CD1 4.2Å; L388-F463 HydrophobicContact CD2-CE1 3.9Å; L388-F463 HydrophobicContact CG-CE1 4.26Å |
| 389 | E | 98.4 | Very high | 98.5 | Very high | 152 Ų | 152 | 39 Ų | 39 | 71% | 0.71 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -72.8 | -43.6 | 174.8 | -175.4 | -177.5 | -164.2 | 0 | 0 | 112.2 | A385 W386 A387 | A385-E389 PolarHBondContact O-N 3.3Å; A385-E389 VanDerWaalsContact O-N 3.07Å; W386-E389 PolarHBondContact O-N 2.78Å; A387-E389 VanDerWaalsContact C-N 3.32Å; A387-E389 PolarHBondContact O-N 2.89Å |
| 390 | N | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -89.1 | -19.4 | -171.2 | -74.3 | -103.1 | 0 | 0 | 0 | 113.7 | W386 A387 | W386-N390 HydrophobicContact CZ2-CB 4.45Å; W386-N390 PolarHBondContact NE1-ND2 2.84Å; W386-N390 VanDerWaalsContact NE1-ND2 3.2Å; W386-N390 WeakPolarHBondContact O-CB 3.21Å; W386-N390 PolarHBondContact O-N 3.47Å; W386-N390 PolarHBondContact O-ND2 3.42Å; A387-N390 PolarHBondContact O-N 3.04Å |
| 391 | F | 98.2 | Very high | 98.4 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 11% | 0.114 | 25% | 0.252 | C | S | . | . | trans | -126.5 | 81.6 | 177.9 | -52.5 | -71.6 | 0 | 0 | 0 | 110.5 | F355 T356 V359 W386 A387 C393 L394 | F355-F391 HydrophobicContact CD1-CD2 4.35Å; F355-F391 AromaticContact CD1-CE2 4Å; F355-F391 HydrophobicContact CD1-CE2 4Å; F355-F391 HydrophobicContact CE1-CD2 4.3Å; F355-F391 HydrophobicContact CE1-CE2 4.4Å; T356-F391 HydrophobicContact CG2-CE1 4.38Å; T356-F391 HydrophobicContact CG2-CZ 4.16Å; V359-F391 HydrophobicContact CB-CD1 4.25Å; V359-F391 HydrophobicContact CB-CE1 4.36Å; V359-F391 HydrophobicContact CG1-CB 4.35Å; V359-F391 HydrophobicContact CG1-CD1 3.78Å; V359-F391 HydrophobicContact CG1-CE1 4.31Å; V359-F391 HydrophobicContact CG1-CG 4.07Å; V359-F391 HydrophobicContact CG2-CD1 4.38Å; V359-F391 HydrophobicContact CG2-CD2 4.13Å; V359-F391 HydrophobicContact CG2-CE2 4.31Å; V359-F391 HydrophobicContact CG2-CG 4.17Å; W386-F391 AromaticContact CH2-CE2 3.48Å; W386-F391 HydrophobicContact CH2-CE2 3.48Å; W386-F391 VanDerWaalsContact CH2-CE2 3.48Å; W386-F391 AromaticContact CH2-CZ 3.91Å; W386-F391 HydrophobicContact CH2-CZ 3.91Å; W386-F391 HydrophobicContact CZ2-CE2 4.1Å; W386-F391 HydrophobicContact CZ2-CZ 4.36Å; W386-F391 AromaticContact CZ3-CE2 3.76Å; W386-F391 HydrophobicContact CZ3-CE2 3.76Å; A387-F391 HydrophobicContact CB-CD2 4.37Å; A387-F391 WeakPolarHBondContact O-CB 3.48Å; A387-F391 WeakPolarHBondContact O-CD2 3.31Å; A387-F391 PolarHBondContact O-N 3.4Å; F391-C393 PolarHBondContact O-N 3.1Å; F391-L394 HydrophobicContact CB-CB 4.39Å; F391-L394 HydrophobicContact CB-CD1 3.86Å; F391-L394 HydrophobicContact CB-CG 3.83Å; F391-L394 HydrophobicContact CD2-CD1 4.29Å; F391-L394 HydrophobicContact CG-CD1 4.35Å; F391-L394 WeakPolarHBondContact O-CB 3.21Å; F391-L394 PolarHBondContact O-N 2.99Å | ||
| 392 | P | 96.9 | Very high | 98.3 | Very high | 106 Ų | 106 | 51.6 Ų | 51.6 | 69% | 0.688 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.1 | 177.6 | -24.1 | 34.3 | 0 | 0 | 0 | 114.2 | ||
| 393 | C | 97.8 | Very high | 98.2 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 31% | 0.311 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -10 | 172.6 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | F391 K465 L466 | F391-C393 PolarHBondContact O-N 3.1Å; C393-K465 HydrophobicContact CB-CG 4.49Å; C393-K465 CarbonylContact O-C 3.41Å; C393-K465 WeakPolarHBondContact O-CA 3.43Å; C393-L466 PolarHBondContact O-N 3.48Å |
| 394 | L | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139.3 | 175.3 | -63.7 | -176.1 | 0 | 0 | 0 | 111.2 | F355 V359 F391 F463 I464 K465 | F355-L394 HydrophobicContact CE1-CD1 3.7Å; F355-L394 HydrophobicContact CZ-CD1 4.21Å; V359-L394 HydrophobicContact CG1-CD2 4.39Å; V359-L394 HydrophobicContact CG1-CG 4.46Å; V359-L394 HydrophobicContact CG2-CD1 3.7Å; V359-L394 HydrophobicContact CG2-CD2 4.44Å; V359-L394 HydrophobicContact CG2-CG 4.38Å; F391-L394 HydrophobicContact CB-CB 4.39Å; F391-L394 HydrophobicContact CB-CD1 3.86Å; F391-L394 HydrophobicContact CB-CG 3.83Å; F391-L394 HydrophobicContact CD2-CD1 4.29Å; F391-L394 HydrophobicContact CG-CD1 4.35Å; F391-L394 WeakPolarHBondContact O-CB 3.21Å; F391-L394 PolarHBondContact O-N 2.99Å; L394-F463 HydrophobicContact CB-CB 4.49Å; L394-F463 HydrophobicContact CB-CD1 4.23Å; L394-F463 HydrophobicContact CD1-CB 4.48Å; L394-F463 HydrophobicContact CD1-CD1 4.35Å; L394-F463 HydrophobicContact CD1-CG 4.41Å; L394-F463 HydrophobicContact CD2-CB 4.34Å; L394-I464 WeakPolarHBondContact CA-O 3.15Å; L394-K465 HydrophobicContact CD2-CB 4.09Å; L394-K465 HydrophobicContact CD2-CG 4.46Å |
| 395 | Q | 98.6 | Very high | 98 | Very high | 98 Ų | 98 | 51.9 Ų | 51.9 | 46% | 0.458 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.2 | 169.7 | -172.6 | -177.5 | 8.9 | 0 | 0 | 109.4 | F463 I464 L466 | Q395-F463 VanDerWaalsContact O-CA 3.3Å; Q395-F463 WeakPolarHBondContact O-CA 3.44Å; Q395-I464 HydrophobicContact CB-CG2 4.05Å; Q395-I464 PolarHBondContact N-O 3.42Å; Q395-I464 PolarHBondContact O-N 2.97Å; Q395-L466 HydrophobicContact CB-CD2 4.29Å; Q395-L466 HydrophobicContact CB-CG 4.42Å |
| 396 | L | 98.7 | Very high | 97.9 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 136.9 | 173.2 | -164.9 | 68.5 | 0 | 0 | 0 | 110 | V384 L388 Q417 L420 L421 A461 K462 F463 | V384-L396 HydrophobicContact CG1-CD1 4.09Å; V384-L396 HydrophobicContact CG1-CD2 4.34Å; L388-L396 HydrophobicContact CD2-CB 4.33Å; L396-Q417 HydrophobicContact CD2-CB 4.05Å; L396-Q417 HydrophobicContact CD2-CG 4.34Å; L396-Q417 WeakPolarHBondContact CD2-O 3.49Å; L396-L420 HydrophobicContact CB-CD1 4.27Å; L396-L420 HydrophobicContact CD2-CB 3.77Å; L396-L420 HydrophobicContact CD2-CD1 4.11Å; L396-L420 HydrophobicContact CG-CB 3.94Å; L396-L420 HydrophobicContact CG-CD1 4.13Å; L396-L421 HydrophobicContact CD1-CD2 3.84Å; L396-L421 HydrophobicContact CD2-CD2 4Å; L396-L421 HydrophobicContact CD2-CG 4.41Å; L396-L421 HydrophobicContact CG-CD2 4.47Å; L396-A461 HydrophobicContact CD1-CB 4.42Å; L396-K462 WeakPolarHBondContact CD1-O 3.39Å; L396-F463 HydrophobicContact CD1-CD1 4.01Å; L396-F463 HydrophobicContact CD1-CE1 3.62Å; L396-F463 HydrophobicContact CD1-CE2 4.48Å; L396-F463 HydrophobicContact CD1-CZ 3.89Å |
| 397 | Q | 98.8 | Very high | 97.9 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 21% | 0.21 | 30% | 0.298 | C | S | . | . | trans | -122.8 | 151.8 | -172.8 | -67.9 | -61.1 | -51 | 0 | 0 | 112.3 | K462 I464 | Q397-K462 HydrophobicContact CB-CB 4.49Å; Q397-K462 HydrophobicContact CB-CD 4.25Å; Q397-K462 HydrophobicContact CB-CG 4.13Å; Q397-K462 PolarHBondContact N-O 2.71Å; Q397-I464 HydrophobicContact CG-CB 3.84Å; Q397-I464 HydrophobicContact CG-CG2 3.68Å | ||
| 398 | P | 98.5 | Very high | 97.9 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 49% | 0.494 | 30% | 0.303 | S | S | . | . | trans | -63.6 | 157.7 | 168.4 | 29 | -34.8 | 0 | 0 | 0 | 111.2 | L420 | P398-L420 HydrophobicContact CB-CD2 3.96Š| ||
| 399 | Q | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | trans | -123.8 | 135.1 | -172.1 | -56.4 | -178.8 | 26.5 | 0 | 0 | 109.5 | I229 L420 Q422 I460 K462 | I229-Q399 HydrophobicContact CD1-CB 4.29Å; I229-Q399 HydrophobicContact CG1-CB 4.18Å; I229-Q399 HydrophobicContact CG2-CB 4.08Å; I229-Q399 HydrophobicContact CG2-CG 4Å; Q399-L420 PolarHBondContact NE2-O 3.2Å; Q399-Q422 VanDerWaalsContact CB-NE2 3.25Å; Q399-I460 PolarHBondContact NE2-O 3.42Å; Q399-K462 HydrophobicContact CG-CB 3.88Å; Q399-K462 HydrophobicContact CG-CD 4.48Å | ||
| 400 | E | 96.8 | Very high | 97.7 | Very high | 161 Ų | 161 | 50.5 Ų | 50.5 | 75% | 0.752 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -131.6 | 127 | 175.8 | -69.2 | -177.9 | -179.4 | 0 | 0 | 108.5 | ||
| 401 | P | 97.2 | Very high | 97.7 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | S | Bend | cis | -70.7 | 156.6 | -5.3 | 31.8 | -35.3 | 0 | 0 | 0 | 112.7 | E91 I92 V403 Q422 | E91-P401 HydrophobicContact CB-CB 4.26Å; I92-P401 HydrophobicContact CG1-CG 4.03Å; P401-V403 HydrophobicContact CB-CG2 4Å; P401-V403 HydrophobicContact CG-CG2 4.19Å; P401-Q422 PolarHBondContact O-NE2 2.93Å |
| 402 | H | 96.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 49.1 Ų | 49.1 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | trans | -107.2 | 92.2 | 174.1 | -161.4 | 109.6 | 0 | 0 | 0 | 110.3 | G404 K419 L421 | H402-G404 PolarHBondContact CD2-O 3.05Å; H402-G404 PolarHBondContact NE2-O 3.02Å; H402-K419 PolarHBondContact CE1-O 3.39Å; H402-L421 PolarHBondContact CE1-O 3.37Å; H402-L421 VanDerWaalsContact CE1-O 3.3Å | ||
| 403 | V | 96.5 | Very high | 97.6 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | trans | -104.5 | -36.1 | -172.2 | -176.8 | 0 | 0 | 0 | 0 | 112 | I92 L221 V225 P401 F424 N452 | I92-V403 HydrophobicContact CD1-CG2 4.17Å; L221-V403 HydrophobicContact CD2-CG1 4.36Å; V225-V403 HydrophobicContact CG2-CG2 4.3Å; P401-V403 HydrophobicContact CB-CG2 4Å; P401-V403 HydrophobicContact CG-CG2 4.19Å; V403-F424 HydrophobicContact CB-CE1 4.27Å; V403-F424 HydrophobicContact CB-CZ 4.27Å; V403-F424 HydrophobicContact CG1-CE1 4.11Å; V403-N452 HydrophobicContact CG1-CB 3.66Å; V403-N452 VanDerWaalsContact CG1-CG 3.45Å | ||
| 404 | G | 96.3 | Very high | 97.6 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -72.2 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H402 | H402-G404 PolarHBondContact CD2-O 3.05Å; H402-G404 PolarHBondContact NE2-O 3.02Å |
| 405 | G | 97.6 | Very high | 97.6 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 176.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q422 R423 | G405-Q422 CarbonylContact O-C 3.53Å; G405-Q422 WeakPolarHBondContact O-CA 3.21Å; G405-R423 WeakPolarHBondContact CA-O 3.4Å; G405-R423 PolarHBondContact N-O 3.19Å; G405-R423 PolarHBondContact O-N 2.84Å |
| 406 | E | 98.1 | Very high | 97.6 | Very high | 97 Ų | 97 | 49.7 Ų | 49.7 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 163.1 | 175.2 | -53.8 | -179.8 | -172.4 | 0 | 0 | 111.8 | K419 R423 | E406-K419 HydrophobicContact CG-CG 4.03Å; E406-K419 VanDerWaalsContact OE1-CE 3.28Å; E406-K419 WeakPolarHBondContact OE1-CE 3.43Å; E406-K419 WeakPolarHBondContact OE1-CG 3.36Å; E406-K419 VanDerWaalsContact OE2-CG 3.31Å; E406-K419 WeakPolarHBondContact OE2-CG 3.33Å; E406-R423 WeakPolarHBondContact O-CB 3.46Å |
| 407 | G | 98.2 | Very high | 97.6 | Very high | 10 Ų | 10 | 52 Ų | 52 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -61 | 153.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L418 | G407-L418 PolarHBondContact N-O 2.85Š|
| 408 | M | 97.7 | Very high | 97.6 | Very high | 20 Ų | 20 | 50 Ų | 50 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 139.5 | 178 | -170.2 | 172.7 | 74.4 | 0 | 0 | 111.7 | V20 F21 L26 L377 E381 | V20-M408 HydrophobicContact CG1-CE 4.15Å; F21-M408 HydrophobicContact CD1-CE 4.45Å; F21-M408 HydrophobicContact CD1-SD 3.77Å; F21-M408 HydrophobicContact CE1-CE 4.27Å; F21-M408 HydrophobicContact CE1-SD 3.69Å; L26-M408 HydrophobicContact CD1-CG 3.9Å; L26-M408 HydrophobicContact CD1-SD 3.92Å; L26-M408 HydrophobicContact CD2-CG 4.06Å; L26-M408 HydrophobicContact CG-CG 4.4Å; L377-M408 HydrophobicContact CB-CE 3.83Å; L377-M408 HydrophobicContact CD1-CB 4.48Å; L377-M408 HydrophobicContact CD1-CE 3.52Å; L377-M408 HydrophobicContact CG-CE 4.2Å; E381-M408 WeakPolarHBondContact CG-O 3.49Å; E381-M408 WeakPolarHBondContact OE1-CB 3.26Å; E381-M408 PolarHBondContact OE1-N 3.3Å |
| 409 | R | 97.3 | Very high | 97.6 | Very high | 70 Ų | 70 | 52 Ų | 52 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -67.5 | 156 | 172.3 | -63.8 | -172.1 | -175.2 | -136 | 13 | 112.4 | N23 E25 L26 D29 L418 | N23-R409 PolarHBondContact ND2-O 3.12Å; E25-R409 HydrophobicContact CB-CB 3.9Å; L26-R409 HydrophobicContact CD2-CB 3.97Å; L26-R409 HydrophobicContact CG-CB 4.26Å; D29-R409 VanDerWaalsContact CG-NE 3.32Å; D29-R409 IonicContact OD1-CZ 2.71Å; D29-R409 IonicContact OD1-NE 2.64Å; D29-R409 IonicContact OD1-NH2 3.43Å; D29-R409 PolarHBondContact OD1-NH2 2.86Å; D29-R409 IonicContact OD2-CZ 3.4Å; D29-R409 IonicContact OD2-NE 2.66Å; D29-R409 PolarHBondContact OD2-NE 2.72Å; D29-R409 IonicContact OD2-NH2 3.56Å; D29-R409 PolarHBondContact OD2-NH2 3.49Å; R409-L418 HydrophobicContact CG-CD1 3.82Å |
| 410 | G | 96.9 | Very high | 97.6 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 124.4 | -9.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N23 E25 | N23-G410 WeakPolarHBondContact OD1-CA 3.36Å; E25-G410 PolarHBondContact OE2-N 3Å |
| 411 | A | 97.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 46 Ų | 46 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -102.7 | 9.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L377 E381 E382 L413 | L377-A411 HydrophobicContact CD1-CB 4.37Å; E381-A411 VanDerWaalsContact C-CB 3.49Å; E381-A411 HydrophobicContact CB-CB 3.59Å; E382-A411 HydrophobicContact CG-CB 4.08Å; A411-L413 HydrophobicContact CB-CG 4.46Å; A411-L413 PolarHBondContact O-N 3.44Å |
| 412 | G | 96.3 | Very high | 97.7 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 62% | 0.619 | 27% | 0.266 | S | S | * | . | trans | 69.7 | 13.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E25 | E25-G412 PolarHBondContact OE1-N 3.28Š| ||
| 413 | L | 98 | Very high | 97.8 | Very high | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | trans | -75.4 | 141.8 | 173.3 | -65.5 | 177 | 0 | 0 | 0 | 110.8 | E381 V384 A385 L388 A411 Q417 L418 L421 | E381-L413 HydrophobicContact CB-CD1 4.1Å; E381-L413 HydrophobicContact CG-CD1 4.5Å; V384-L413 HydrophobicContact CB-CD1 4.24Å; V384-L413 HydrophobicContact CG1-CD1 4.07Å; V384-L413 HydrophobicContact CG1-CD2 4.38Å; A385-L413 HydrophobicContact CB-CD2 3.98Å; A385-L413 HydrophobicContact CB-CG 4.35Å; L388-L413 HydrophobicContact CD1-CD2 4.28Å; A411-L413 HydrophobicContact CB-CG 4.46Å; A411-L413 PolarHBondContact O-N 3.44Å; L413-Q417 HydrophobicContact CB-CB 4.24Å; L413-Q417 HydrophobicContact CD2-CB 4.46Å; L413-L418 HydrophobicContact CB-CD2 3.82Å; L413-L418 HydrophobicContact CB-CG 4.14Å; L413-L418 HydrophobicContact CD1-CD2 3.99Å; L413-L421 HydrophobicContact CD1-CD1 3.85Å | ||
| 414 | S | 97.9 | Very high | 97.9 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | trans | -67.4 | 158.1 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 112 | V416 Q417 L418 | S414-V416 PolarHBondContact O-N 2.88Å; S414-Q417 WeakPolarHBondContact O-CB 3.38Å; S414-Q417 PolarHBondContact O-N 3.28Å; S414-Q417 WeakPolarHBondContact OG-CG 3.29Å; S414-Q417 PolarHBondContact OG-N 3.49Å; S414-Q417 PolarHBondContact OG-OE1 2.9Å; S414-L418 WeakPolarHBondContact O-CG 3.4Å; S414-L418 PolarHBondContact O-N 2.92Å | ||
| 415 | L | 97.4 | Very high | 98 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.5 | -32.7 | 176.5 | -65.2 | 173.6 | 0 | 0 | 0 | 113.1 | L418 K419 | L415-L418 HydrophobicContact CD2-CD1 4.42Å; L415-K419 WeakPolarHBondContact O-CG 3.41Å; L415-K419 PolarHBondContact O-N 2.89Å |
| 416 | V | 98.2 | Very high | 97.9 | Very high | 107 Ų | 107 | 41.4 Ų | 41.4 | 65% | 0.648 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.4 | -42.3 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | S414 K419 L420 | S414-V416 PolarHBondContact O-N 2.88Å; V416-K419 PolarHBondContact O-N 3.48Å; V416-L420 WeakPolarHBondContact O-CG 3.35Å |
| 417 | Q | 98.6 | Very high | 97.7 | Very high | 59 Ų | 59 | 37.7 Ų | 37.7 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.3 | -40.8 | 177 | -72.7 | 163.2 | -48.2 | 0 | 0 | 112.1 | L396 L413 S414 K419 L420 | L396-Q417 HydrophobicContact CD2-CB 4.05Å; L396-Q417 HydrophobicContact CD2-CG 4.34Å; L396-Q417 WeakPolarHBondContact CD2-O 3.49Å; L413-Q417 HydrophobicContact CB-CB 4.24Å; L413-Q417 HydrophobicContact CD2-CB 4.46Å; S414-Q417 WeakPolarHBondContact O-CB 3.38Å; S414-Q417 PolarHBondContact O-N 3.28Å; S414-Q417 WeakPolarHBondContact OG-CG 3.29Å; S414-Q417 PolarHBondContact OG-N 3.49Å; S414-Q417 PolarHBondContact OG-OE1 2.9Å; Q417-K419 VanDerWaalsContact C-N 3.25Å; Q417-K419 PolarHBondContact O-N 2.93Å; Q417-L420 WeakPolarHBondContact O-CB 3.3Å; Q417-L420 PolarHBondContact O-N 2.8Å |
| 418 | L | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -35.7 | 177.9 | -66.5 | 177.7 | 0 | 0 | 0 | 112.2 | E381 G407 R409 L413 S414 L415 L420 L421 | E381-L418 HydrophobicContact CG-CD2 4.44Å; G407-L418 PolarHBondContact N-O 2.85Å; R409-L418 HydrophobicContact CG-CD1 3.82Å; L413-L418 HydrophobicContact CB-CD2 3.82Å; L413-L418 HydrophobicContact CB-CG 4.14Å; L413-L418 HydrophobicContact CD1-CD2 3.99Å; S414-L418 WeakPolarHBondContact O-CG 3.4Å; S414-L418 PolarHBondContact O-N 2.92Å; L415-L418 HydrophobicContact CD2-CD1 4.42Å; L418-L420 PolarHBondContact O-N 2.8Å; L418-L421 HydrophobicContact CD2-CD1 4.27Å; L418-L421 WeakPolarHBondContact O-CB 3.22Å; L418-L421 PolarHBondContact O-N 2.87Å; L418-L421 VanDerWaalsContact O-N 3.17Å |
| 419 | K | 98.6 | Very high | 97.1 | Very high | 116 Ų | 116 | 40.4 Ų | 40.4 | 50% | 0.504 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -20.1 | 174 | -76.6 | 176.3 | 179.1 | -168.4 | 0 | 114.9 | H402 E406 L415 V416 Q417 L421 | H402-K419 PolarHBondContact CE1-O 3.39Å; E406-K419 HydrophobicContact CG-CG 4.03Å; E406-K419 VanDerWaalsContact OE1-CE 3.28Å; E406-K419 WeakPolarHBondContact OE1-CE 3.43Å; E406-K419 WeakPolarHBondContact OE1-CG 3.36Å; E406-K419 VanDerWaalsContact OE2-CG 3.31Å; E406-K419 WeakPolarHBondContact OE2-CG 3.33Å; L415-K419 WeakPolarHBondContact O-CG 3.41Å; L415-K419 PolarHBondContact O-N 2.89Å; V416-K419 PolarHBondContact O-N 3.48Å; Q417-K419 VanDerWaalsContact C-N 3.25Å; Q417-K419 PolarHBondContact O-N 2.93Å; K419-L421 VanDerWaalsContact C-N 3.31Å |
| 420 | L | 98.7 | Very high | 96.6 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.8 | 176.2 | -58.6 | 176.9 | 0 | 0 | 0 | 112.3 | L396 P398 Q399 V416 Q417 L418 | L396-L420 HydrophobicContact CB-CD1 4.27Å; L396-L420 HydrophobicContact CD2-CB 3.77Å; L396-L420 HydrophobicContact CD2-CD1 4.11Å; L396-L420 HydrophobicContact CG-CB 3.94Å; L396-L420 HydrophobicContact CG-CD1 4.13Å; P398-L420 HydrophobicContact CB-CD2 3.96Å; Q399-L420 PolarHBondContact NE2-O 3.2Å; V416-L420 WeakPolarHBondContact O-CG 3.35Å; Q417-L420 WeakPolarHBondContact O-CB 3.3Å; Q417-L420 PolarHBondContact O-N 2.8Å; L418-L420 PolarHBondContact O-N 2.8Å |
| 421 | L | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -94.8 | 156.9 | 176.5 | -56.3 | 177.8 | 0 | 0 | 0 | 110.2 | E381 V384 L396 H402 L413 L418 K419 F459 A461 | E381-L421 HydrophobicContact CG-CD1 4.02Å; V384-L421 HydrophobicContact CG1-CD2 4.28Å; V384-L421 HydrophobicContact CG2-CD2 4.04Å; L396-L421 HydrophobicContact CD1-CD2 3.84Å; L396-L421 HydrophobicContact CD2-CD2 4Å; L396-L421 HydrophobicContact CD2-CG 4.41Å; L396-L421 HydrophobicContact CG-CD2 4.47Å; H402-L421 PolarHBondContact CE1-O 3.37Å; H402-L421 VanDerWaalsContact CE1-O 3.3Å; L413-L421 HydrophobicContact CD1-CD1 3.85Å; L418-L421 HydrophobicContact CD2-CD1 4.27Å; L418-L421 WeakPolarHBondContact O-CB 3.22Å; L418-L421 PolarHBondContact O-N 2.87Å; L418-L421 VanDerWaalsContact O-N 3.17Å; K419-L421 VanDerWaalsContact C-N 3.31Å; L421-F459 HydrophobicContact CB-CE2 4.19Å; L421-F459 HydrophobicContact CD1-CE2 3.98Å; L421-F459 HydrophobicContact CD1-CZ 3.94Å; L421-F459 HydrophobicContact CD2-CZ 4.03Å; L421-F459 HydrophobicContact CG-CE2 4.46Å; L421-F459 HydrophobicContact CG-CZ 4.38Å; L421-A461 HydrophobicContact CD2-CB 3.69Å |
| 422 | Q | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116 | 167.7 | -73.2 | -170.9 | 67.8 | 0 | 0 | 109.8 | I229 Q399 P401 G405 F424 F459 I460 | I229-Q422 VanDerWaalsContact CD1-NE2 3.25Å; Q399-Q422 VanDerWaalsContact CB-NE2 3.25Å; P401-Q422 PolarHBondContact O-NE2 2.93Å; G405-Q422 CarbonylContact O-C 3.53Å; G405-Q422 WeakPolarHBondContact O-CA 3.21Å; Q422-F424 HydrophobicContact CB-CE2 4.35Å; Q422-F459 CarbonylContact O-C 3.46Å; Q422-F459 WeakPolarHBondContact O-CA 3.2Å; Q422-I460 HydrophobicContact CB-CB 4.25Å; Q422-I460 PolarHBondContact N-O 3.34Å; Q422-I460 PolarHBondContact O-N 3.11Å |
| 423 | R | 98.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.9 | 173.9 | -173.9 | 178.8 | -177.2 | 113.6 | 3.8 | 109.2 | I375 E381 G405 E406 F458 F459 | I375-R423 PolarHBondContact O-NH2 2.75Å; E381-R423 WeakPolarHBondContact OE1-CD 3.4Å; E381-R423 IonicContact OE1-CZ 2.95Å; E381-R423 IonicContact OE1-NH1 2.82Å; E381-R423 PolarHBondContact OE1-NH1 2.93Å; E381-R423 IonicContact OE2-NH1 3.33Å; E381-R423 PolarHBondContact OE2-NH1 3Å; G405-R423 WeakPolarHBondContact CA-O 3.4Å; G405-R423 PolarHBondContact N-O 3.19Å; G405-R423 PolarHBondContact O-N 2.84Å; E406-R423 WeakPolarHBondContact O-CB 3.46Å; R423-F458 WeakPolarHBondContact CA-O 3.33Å; R423-F459 HydrophobicContact CB-CD2 4.43Å |
| 424 | F | 98.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 110.2 | 174 | -66.2 | -94.9 | 0 | 0 | 0 | 108.1 | P222 V225 V403 Q422 P426 C455 I456 G457 F458 I460 | P222-F424 HydrophobicContact CB-CD1 4.31Å; P222-F424 HydrophobicContact CB-CD2 3.75Å; P222-F424 HydrophobicContact CB-CE1 4.27Å; P222-F424 HydrophobicContact CB-CE2 3.74Å; P222-F424 HydrophobicContact CB-CG 4.03Å; P222-F424 HydrophobicContact CB-CZ 4Å; P222-F424 HydrophobicContact CG-CB 4.25Å; P222-F424 HydrophobicContact CG-CD1 3.68Å; P222-F424 HydrophobicContact CG-CD2 3.95Å; P222-F424 HydrophobicContact CG-CE1 3.9Å; P222-F424 HydrophobicContact CG-CE2 4.18Å; P222-F424 HydrophobicContact CG-CG 3.67Å; P222-F424 HydrophobicContact CG-CZ 4.15Å; V225-F424 HydrophobicContact CG1-CZ 4.42Å; V403-F424 HydrophobicContact CB-CE1 4.27Å; V403-F424 HydrophobicContact CB-CZ 4.27Å; V403-F424 HydrophobicContact CG1-CE1 4.11Å; Q422-F424 HydrophobicContact CB-CE2 4.35Å; F424-P426 WeakPolarHBondContact O-CD 3.44Å; F424-C455 WeakPolarHBondContact CD1-SG 3.27Å; F424-I456 WeakPolarHBondContact CB-O 3.48Å; F424-G457 WeakPolarHBondContact O-CA 3.46Å; F424-F458 HydrophobicContact CB-CB 4Å; F424-F458 HydrophobicContact CD2-CB 3.88Å; F424-F458 HydrophobicContact CD2-CD1 4.44Å; F424-F458 HydrophobicContact CG-CB 4.23Å; F424-F458 PolarHBondContact N-O 3.43Å; F424-F458 PolarHBondContact O-N 3.22Å; F424-I460 HydrophobicContact CE2-CD1 3.95Å; F424-I460 HydrophobicContact CE2-CG1 4.46Å |
| 425 | D | 97.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | trans | -96 | 113.6 | 178.3 | 179.3 | 0.9 | 0 | 0 | 0 | 109.8 | S427 A428 | D425-S427 VanDerWaalsContact CG-OG 3.3Å; D425-S427 PolarHBondContact O-N 2.97Å; D425-S427 PolarHBondContact OD1-N 3.28Å; D425-S427 PolarHBondContact OD1-OG 3.41Å; D425-S427 PolarHBondContact OD2-OG 2.98Å; D425-A428 HydrophobicContact CB-CB 4.37Å; D425-A428 VanDerWaalsContact O-CB 3.25Å; D425-A428 WeakPolarHBondContact O-CB 3.39Å; D425-A428 PolarHBondContact O-N 3.08Å | ||
| 426 | P | 96.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -22.8 | 175.2 | -30.1 | 37.5 | 0 | 0 | 0 | 115.2 | L42 H45 L46 F424 | L42-P426 HydrophobicContact CD1-CB 3.88Å; L42-P426 HydrophobicContact CD1-CG 3.78Å; H45-P426 HydrophobicContact CB-CB 3.96Å; H45-P426 WeakPolarHBondContact CB-O 3.45Å; H45-P426 PolarHBondContact CD2-O 3.24Å; H45-P426 VanDerWaalsContact CG-O 3.28Å; L46-P426 HydrophobicContact CD2-CG 4.09Å; F424-P426 WeakPolarHBondContact O-CD 3.44Å |
| 427 | S | 93.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 10.4 | -178.3 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | D425 V429 | D425-S427 VanDerWaalsContact CG-OG 3.3Å; D425-S427 PolarHBondContact O-N 2.97Å; D425-S427 PolarHBondContact OD1-N 3.28Å; D425-S427 PolarHBondContact OD1-OG 3.41Å; D425-S427 PolarHBondContact OD2-OG 2.98Å; S427-V429 PolarHBondContact O-N 2.99Å |
| 428 | A | 92.1 | Very high | 91 | Very high | 56 Ų | 56 | 49 Ų | 49 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -63.9 | -18.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D425 K453 | D425-A428 HydrophobicContact CB-CB 4.37Å; D425-A428 VanDerWaalsContact O-CB 3.25Å; D425-A428 WeakPolarHBondContact O-CB 3.39Å; D425-A428 PolarHBondContact O-N 3.08Å; A428-K453 HydrophobicContact CB-CB 4.22Å |
| 429 | V | 90.8 | Very high | 90.4 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -129.1 | 164.9 | 175 | -70.9 | 0 | 0 | 0 | 0 | 109.8 | H45 S427 L450 K453 D454 | H45-V429 PolarHBondContact NE2-O 3.25Å; S427-V429 PolarHBondContact O-N 2.99Å; V429-L450 HydrophobicContact CB-CD1 4.3Å; V429-L450 HydrophobicContact CG1-CD1 4.32Å; V429-L450 HydrophobicContact CG2-CD1 3.88Å; V429-K453 HydrophobicContact CG1-CB 3.56Å; V429-K453 HydrophobicContact CG1-CD 3.51Å; V429-K453 HydrophobicContact CG1-CG 4.17Å; V429-K453 HydrophobicContact CG2-CB 4.29Å; V429-D454 HydrophobicContact CG2-CB 3.81Å |
| 430 | T | 86.6 | Confident | 89.8 | Confident | 106 Ų | 106 | 50.3 Ų | 50.3 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | trans | -77.6 | 133.7 | 173.3 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | Q432 | T430-Q432 HydrophobicContact CG2-CG 4.31Å; T430-Q432 PolarHBondContact O-N 2.94Å | ||
| 431 | L | 79.9 | Confident | 89.2 | Confident | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | trans | -54.1 | 103.9 | 166.4 | -77.4 | 175.1 | 0 | 0 | 0 | 110.1 | A2 R44 H45 H48 | A2-L431 HydrophobicContact CB-CD1 4.5Å; R44-L431 HydrophobicContact CB-CD1 4.48Å; H45-L431 VanDerWaalsContact CD2-CD2 3.43Å; H45-L431 WeakPolarHBondContact CD2-CD2 3.2Å; H45-L431 VanDerWaalsContact CD2-CG 3.42Å; H45-L431 WeakPolarHBondContact CD2-CG 3.41Å; H45-L431 WeakPolarHBondContact NE2-CG 3.13Å; H45-L431 PolarHBondContact NE2-N 3.22Å; H48-L431 HydrophobicContact CB-CD2 3.94Å | ||
| 432 | Q | 72.9 | Confident | 88.7 | Confident | 163 Ų | 163 | 57.4 Ų | 57.4 | 76% | 0.762 | 33% | 0.326 | S | S | * | . | trans | -119 | 131.1 | 169 | -67.2 | -175.1 | -1.7 | 0 | 0 | 107.8 | T430 | T430-Q432 HydrophobicContact CG2-CG 4.31Å; T430-Q432 PolarHBondContact O-N 2.94Å | ||
| 433 | G | 79.3 | Confident | 88.3 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 142.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | G102 | G102-G433 CarbonylContact O-C 3.54Å; G102-G433 WeakPolarHBondContact O-CA 3.42Å |
| 434 | M | 86.6 | Confident | 88 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -99.5 | 118.3 | 172.3 | -169.7 | -178.5 | -66.4 | 0 | 0 | 108.5 | F52 P99 I101 G102 L439 L447 L450 | F52-M434 HydrophobicContact CE2-CE 4.48Å; F52-M434 HydrophobicContact CZ-CE 4.2Å; P99-M434 HydrophobicContact CB-CE 4.12Å; P99-M434 HydrophobicContact CB-SD 3.45Å; P99-M434 WeakPolarHBondContact CB-SD 3.46Å; I101-M434 CarbonylContact C-O 3.45Å; I101-M434 VanDerWaalsContact CA-O 3.31Å; I101-M434 WeakPolarHBondContact CA-O 3.39Å; I101-M434 HydrophobicContact CD1-CG 4.43Å; G102-M434 PolarHBondContact N-O 2.8Å; G102-M434 PolarHBondContact O-N 2.76Å; M434-L439 HydrophobicContact CG-CB 4.18Å; M434-L439 HydrophobicContact SD-CB 4.17Å; M434-L439 HydrophobicContact SD-CD1 3.79Å; M434-L439 HydrophobicContact SD-CG 4.41Å; M434-L447 HydrophobicContact CE-CD2 3.62Å; M434-L447 HydrophobicContact SD-CD2 4.42Å; M434-L450 HydrophobicContact CE-CD2 4.16Å |
| 435 | D | 88.6 | Confident | 87.7 | Confident | 85 Ų | 85 | 76.4 Ų | 76.4 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -103 | 172.8 | 167.8 | 70.3 | 27.7 | 0 | 0 | 0 | 111 | N437 S438 L439 | D435-N437 VanDerWaalsContact C-N 3.29Å; D435-N437 PolarHBondContact O-N 3.35Å; D435-N437 PolarHBondContact OD1-N 2.92Å; D435-N437 VanDerWaalsContact OD1-N 3.11Å; D435-S438 PolarHBondContact N-OG 3.16Å; D435-S438 PolarHBondContact O-N 2.86Å; D435-S438 PolarHBondContact O-OG 3.1Å; D435-S438 VanDerWaalsContact OD1-CB 3.31Å; D435-S438 WeakPolarHBondContact OD1-CB 3.31Å; D435-S438 PolarHBondContact OD1-N 3.07Å; D435-S438 PolarHBondContact OD1-OG 3.35Å; D435-S438 VanDerWaalsContact OD1-OG 3.07Å; D435-L439 WeakPolarHBondContact O-CB 3.34Å; D435-L439 PolarHBondContact O-N 3.42Å |
| 436 | I | 85.9 | Confident | 87.5 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 34% | 0.344 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | -175.6 | -64.6 | 163 | 0 | 0 | 0 | 111.7 | L82 I101 L439 Q440 | L82-I436 HydrophobicContact CD1-CD1 3.49Å; L82-I436 VanDerWaalsContact CD1-CD1 3.49Å; L82-I436 HydrophobicContact CD1-CG1 3.88Å; L82-I436 HydrophobicContact CD1-CG2 4.08Å; L82-I436 HydrophobicContact CD2-CD1 4.05Å; L82-I436 HydrophobicContact CD2-CG1 4.25Å; L82-I436 HydrophobicContact CG-CD1 4.43Å; I101-I436 HydrophobicContact CD1-CG1 4.28Å; I101-I436 HydrophobicContact CG2-CG1 4.48Å; I436-L439 PolarHBondContact O-N 3.33Å; I436-Q440 WeakPolarHBondContact O-CG 3.35Å; I436-Q440 PolarHBondContact O-N 3.17Å; I436-Q440 VanDerWaalsContact O-N 3.1Å |
| 437 | N | 84.6 | Confident | 87.4 | Confident | 103 Ų | 103 | 79 Ų | 79 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.1 | -48.5 | -178.8 | -62.2 | -26.4 | 0 | 0 | 0 | 110.2 | D435 L439 Q440 D441 | D435-N437 VanDerWaalsContact C-N 3.29Å; D435-N437 PolarHBondContact O-N 3.35Å; D435-N437 PolarHBondContact OD1-N 2.92Å; D435-N437 VanDerWaalsContact OD1-N 3.11Å; N437-L439 PolarHBondContact O-N 3.39Å; N437-Q440 PolarHBondContact O-N 2.72Å; N437-Q440 VanDerWaalsContact O-N 3.1Å; N437-D441 PolarHBondContact O-N 2.92Å |
| 438 | S | 85.5 | Confident | 87.4 | Confident | 42 Ų | 42 | 79 Ų | 79 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | 176.4 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | D435 S442 | D435-S438 PolarHBondContact N-OG 3.16Å; D435-S438 PolarHBondContact O-N 2.86Å; D435-S438 PolarHBondContact O-OG 3.1Å; D435-S438 VanDerWaalsContact OD1-CB 3.31Å; D435-S438 WeakPolarHBondContact OD1-CB 3.31Å; D435-S438 PolarHBondContact OD1-N 3.07Å; D435-S438 PolarHBondContact OD1-OG 3.35Å; D435-S438 VanDerWaalsContact OD1-OG 3.07Å; S438-S442 VanDerWaalsContact O-CB 3.31Å; S438-S442 WeakPolarHBondContact O-CB 3.48Å; S438-S442 PolarHBondContact O-N 3.09Å; S438-S442 VanDerWaalsContact O-N 3.16Å; S438-S442 PolarHBondContact O-OG 3.26Å |
| 439 | L | 87.3 | Confident | 87.6 | Confident | 13 Ų | 13 | 78.7 Ų | 78.7 | 7% | 0.068 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 175.5 | 176.2 | 61.9 | 0 | 0 | 0 | 111.9 | P85 P99 I101 M434 D435 I436 N437 S442 L447 | P85-L439 HydrophobicContact CG-CD1 4.03Å; P99-L439 HydrophobicContact CB-CD1 3.95Å; P99-L439 HydrophobicContact CG-CD1 3.76Å; I101-L439 HydrophobicContact CD1-CB 4.37Å; I101-L439 HydrophobicContact CD1-CD2 3.76Å; M434-L439 HydrophobicContact CG-CB 4.18Å; M434-L439 HydrophobicContact SD-CB 4.17Å; M434-L439 HydrophobicContact SD-CD1 3.79Å; M434-L439 HydrophobicContact SD-CG 4.41Å; D435-L439 WeakPolarHBondContact O-CB 3.34Å; D435-L439 PolarHBondContact O-N 3.42Å; I436-L439 PolarHBondContact O-N 3.33Å; N437-L439 PolarHBondContact O-N 3.39Å; L439-S442 PolarHBondContact O-N 2.88Å; L439-L447 HydrophobicContact CD1-CD1 3.85Å; L439-L447 HydrophobicContact CD1-CD2 4.23Å |
| 440 | Q | 85 | Confident | 87.8 | Confident | 135 Ų | 135 | 79.7 Ų | 79.7 | 63% | 0.631 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.5 | -34.6 | 178.2 | -73 | 177.3 | -3.8 | 0 | 0 | 112.7 | I436 N437 S442 | I436-Q440 WeakPolarHBondContact O-CG 3.35Å; I436-Q440 PolarHBondContact O-N 3.17Å; I436-Q440 VanDerWaalsContact O-N 3.1Å; N437-Q440 PolarHBondContact O-N 2.72Å; N437-Q440 VanDerWaalsContact O-N 3.1Å; Q440-S442 VanDerWaalsContact C-N 3.34Å |
| 441 | D | 86.2 | Confident | 88.2 | Confident | 140 Ų | 140 | 74.9 Ų | 74.9 | 75% | 0.749 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -82.4 | -12.1 | 178.9 | -66.8 | -27.3 | 0 | 0 | 0 | 113.2 | N437 | N437-D441 PolarHBondContact O-N 2.92Å |
| 442 | S | 87.8 | Confident | 89 | Confident | 49 Ų | 49 | 73.5 Ų | 73.5 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -80.2 | 135.1 | -176.8 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | S438 L439 Q440 | S438-S442 VanDerWaalsContact O-CB 3.31Å; S438-S442 WeakPolarHBondContact O-CB 3.48Å; S438-S442 PolarHBondContact O-N 3.09Å; S438-S442 VanDerWaalsContact O-N 3.16Å; S438-S442 PolarHBondContact O-OG 3.26Å; L439-S442 PolarHBondContact O-N 2.88Å; Q440-S442 VanDerWaalsContact C-N 3.34Å |
| 443 | R | 91.6 | Very high | 90.1 | Very high | 190 Ų | 190 | 70.5 Ų | 70.5 | 72% | 0.717 | 37% | 0.371 | S | S | * | . | trans | -73.1 | 145.8 | 168.8 | -58.4 | -176.5 | -164.7 | -179.9 | 4 | 110.5 | D445 N446 L447 | R443-D445 VanDerWaalsContact C-N 3.32Å; R443-D445 PolarHBondContact O-N 3.44Å; R443-N446 WeakPolarHBondContact O-CB 3.32Å; R443-N446 PolarHBondContact O-N 2.91Å; R443-L447 PolarHBondContact O-N 3.05Å | ||
| 444 | E | 91.5 | Very high | 90.9 | Very high | 112 Ų | 112 | 68.9 Ų | 68.9 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.5 | -44.5 | -179.6 | -131.4 | 173.8 | 178.4 | 0 | 0 | 112.4 | L87 N446 L447 I448 | L87-E444 HydrophobicContact CD1-CG 4.43Å; L87-E444 HydrophobicContact CD2-CG 3.61Å; L87-E444 WeakPolarHBondContact CD2-OE1 3.19Å; E444-N446 VanDerWaalsContact C-N 3.29Å; E444-N446 PolarHBondContact O-N 2.74Å; E444-L447 WeakPolarHBondContact O-CB 3.18Å; E444-L447 PolarHBondContact O-N 2.91Å; E444-L447 VanDerWaalsContact O-N 3.1Å; E444-I448 WeakPolarHBondContact O-CG1 3.47Å; E444-I448 PolarHBondContact O-N 3.27Å |
| 445 | D | 92 | Very high | 91.3 | Very high | 124 Ų | 124 | 68.5 Ų | 68.5 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.2 | -35.9 | 177.5 | -61.7 | -30 | 0 | 0 | 0 | 113.1 | R443 S449 | R443-D445 VanDerWaalsContact C-N 3.32Å; R443-D445 PolarHBondContact O-N 3.44Å; D445-S449 WeakPolarHBondContact O-CB 3.42Å; D445-S449 PolarHBondContact O-N 3.02Å |
| 446 | N | 93.2 | Very high | 91.7 | Very high | 102 Ų | 102 | 64.8 Ų | 64.8 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 177.4 | -70.9 | -15.9 | 0 | 0 | 0 | 110.9 | R443 E444 S449 L450 | R443-N446 WeakPolarHBondContact O-CB 3.32Å; R443-N446 PolarHBondContact O-N 2.91Å; E444-N446 VanDerWaalsContact C-N 3.29Å; E444-N446 PolarHBondContact O-N 2.74Å; N446-S449 PolarHBondContact O-N 3.48Å; N446-L450 WeakPolarHBondContact O-CB 3.43Å; N446-L450 PolarHBondContact O-N 3.33Å |
| 447 | L | 94.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 176.5 | -66.5 | 173.8 | 0 | 0 | 0 | 110.9 | F52 L87 M434 L439 R443 E444 L450 A451 | F52-L447 HydrophobicContact CE1-CB 4.2Å; F52-L447 WeakPolarHBondContact CE2-O 3.13Å; F52-L447 HydrophobicContact CZ-CB 3.86Å; F52-L447 HydrophobicContact CZ-CD2 4.08Å; F52-L447 WeakPolarHBondContact CZ-O 3.23Å; L87-L447 HydrophobicContact CD1-CB 3.59Å; L87-L447 HydrophobicContact CD1-CD1 3.92Å; L87-L447 HydrophobicContact CD1-CG 4.41Å; M434-L447 HydrophobicContact CE-CD2 3.62Å; M434-L447 HydrophobicContact SD-CD2 4.42Å; L439-L447 HydrophobicContact CD1-CD1 3.85Å; L439-L447 HydrophobicContact CD1-CD2 4.23Å; R443-L447 PolarHBondContact O-N 3.05Å; E444-L447 WeakPolarHBondContact O-CB 3.18Å; E444-L447 PolarHBondContact O-N 2.91Å; E444-L447 VanDerWaalsContact O-N 3.1Å; L447-L450 WeakPolarHBondContact O-CB 3.48Å; L447-L450 PolarHBondContact O-N 3.26Å; L447-A451 PolarHBondContact O-N 3.03Å |
| 448 | I | 94.4 | Very high | 93 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176 | -67.5 | 159.3 | 0 | 0 | 0 | 110.4 | L87 P90 L97 E444 L450 A451 N452 | L87-I448 HydrophobicContact CD1-CG1 4.38Å; P90-I448 HydrophobicContact CG-CG2 4.25Å; L97-I448 HydrophobicContact CD1-CG1 4.31Å; E444-I448 WeakPolarHBondContact O-CG1 3.47Å; E444-I448 PolarHBondContact O-N 3.27Å; I448-L450 PolarHBondContact O-N 3.02Å; I448-A451 WeakPolarHBondContact O-CB 3.18Å; I448-A451 PolarHBondContact O-N 3.33Å; I448-A451 VanDerWaalsContact O-N 3.13Å; I448-N452 PolarHBondContact O-N 3.02Å; I448-N452 PolarHBondContact O-OD1 3.25Å |
| 449 | S | 94.6 | Very high | 93.6 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.7 | -35.1 | 175.3 | 178 | 0 | 0 | 0 | 0 | 112.4 | D445 N446 K453 | D445-S449 WeakPolarHBondContact O-CB 3.42Å; D445-S449 PolarHBondContact O-N 3.02Å; N446-S449 PolarHBondContact O-N 3.48Å; S449-K453 PolarHBondContact O-N 2.78Å |
| 450 | L | 95.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 175.5 | -178 | 62.6 | 0 | 0 | 0 | 110.9 | A51 F52 V429 M434 N446 L447 I448 N452 K453 D454 | A51-L450 HydrophobicContact CB-CD2 4.31Å; F52-L450 HydrophobicContact CE2-CB 3.95Å; F52-L450 HydrophobicContact CE2-CD2 3.97Å; F52-L450 HydrophobicContact CE2-CG 3.87Å; V429-L450 HydrophobicContact CB-CD1 4.3Å; V429-L450 HydrophobicContact CG1-CD1 4.32Å; V429-L450 HydrophobicContact CG2-CD1 3.88Å; M434-L450 HydrophobicContact CE-CD2 4.16Å; N446-L450 WeakPolarHBondContact O-CB 3.43Å; N446-L450 PolarHBondContact O-N 3.33Å; L447-L450 WeakPolarHBondContact O-CB 3.48Å; L447-L450 PolarHBondContact O-N 3.26Å; I448-L450 PolarHBondContact O-N 3.02Å; L450-N452 PolarHBondContact O-N 3.29Å; L450-K453 PolarHBondContact O-N 2.81Å; L450-K453 VanDerWaalsContact O-N 3.13Å; L450-D454 HydrophobicContact CD1-CB 4.06Å; L450-D454 HydrophobicContact CG-CB 4.43Å; L450-D454 PolarHBondContact O-N 3.3Å |
| 451 | A | 95.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -35.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F52 L97 L221 L447 I448 K453 | F52-A451 HydrophobicContact CB-CB 4.24Å; F52-A451 HydrophobicContact CD1-CB 4.05Å; F52-A451 VanDerWaalsContact CD2-CA 3.46Å; F52-A451 HydrophobicContact CD2-CB 3.51Å; F52-A451 HydrophobicContact CE1-CB 4.29Å; F52-A451 HydrophobicContact CE2-CB 3.81Å; F52-A451 HydrophobicContact CG-CB 3.65Å; F52-A451 HydrophobicContact CZ-CB 4.2Å; L97-A451 HydrophobicContact CD1-CB 3.8Å; L97-A451 HydrophobicContact CD2-CB 4.35Å; L221-A451 WeakPolarHBondContact CD2-O 3.31Å; L447-A451 PolarHBondContact O-N 3.03Å; I448-A451 WeakPolarHBondContact O-CB 3.18Å; I448-A451 PolarHBondContact O-N 3.33Å; I448-A451 VanDerWaalsContact O-N 3.13Å; A451-K453 VanDerWaalsContact C-N 3.31Å; A451-K453 PolarHBondContact O-N 3.44Å |
| 452 | N | 96.5 | Very high | 95.4 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68 | -31 | 177.9 | -68.5 | -4.4 | 0 | 0 | 0 | 113 | H89 L221 V403 I448 L450 | H89-N452 PolarHBondContact CD2-OD1 3.5Å; H89-N452 PolarHBondContact NE2-ND2 3.14Å; H89-N452 VanDerWaalsContact NE2-ND2 3.2Å; H89-N452 PolarHBondContact NE2-OD1 3.26Å; L221-N452 WeakPolarHBondContact CD2-OD1 3.49Å; V403-N452 HydrophobicContact CG1-CB 3.66Å; V403-N452 VanDerWaalsContact CG1-CG 3.45Å; I448-N452 PolarHBondContact O-N 3.02Å; I448-N452 PolarHBondContact O-OD1 3.25Å; L450-N452 PolarHBondContact O-N 3.29Å |
| 453 | K | 95.9 | Very high | 96 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -98.9 | -46.2 | -175.2 | -64.1 | 177.8 | -178.4 | 174.2 | 0 | 112.8 | A428 V429 S449 L450 A451 C455 | A428-K453 HydrophobicContact CB-CB 4.22Å; V429-K453 HydrophobicContact CG1-CB 3.56Å; V429-K453 HydrophobicContact CG1-CD 3.51Å; V429-K453 HydrophobicContact CG1-CG 4.17Å; V429-K453 HydrophobicContact CG2-CB 4.29Å; S449-K453 PolarHBondContact O-N 2.78Å; L450-K453 PolarHBondContact O-N 2.81Å; L450-K453 VanDerWaalsContact O-N 3.13Å; A451-K453 VanDerWaalsContact C-N 3.31Å; A451-K453 PolarHBondContact O-N 3.44Å; K453-C455 VanDerWaalsContact C-N 3.28Å; K453-C455 PolarHBondContact O-N 3.41Å |
| 454 | D | 96 | Very high | 96.3 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -84.3 | 68.2 | -179 | -169.4 | 34.6 | 0 | 0 | 0 | 112.1 | P50 A51 R332 V429 L450 | P50-D454 WeakPolarHBondContact CB-O 3.25Å; A51-D454 HydrophobicContact CB-CB 4.32Å; A51-D454 WeakPolarHBondContact CB-OD2 3.29Å; A51-D454 PolarHBondContact N-OD2 2.99Å; R332-D454 IonicContact CZ-OD1 3.47Å; R332-D454 IonicContact NH1-OD1 2.84Å; R332-D454 PolarHBondContact NH1-OD1 2.92Å; R332-D454 IonicContact NH2-OD1 2.76Å; R332-D454 PolarHBondContact NH2-OD1 3.01Å; R332-D454 IonicContact NH2-OD2 3.57Å; V429-D454 HydrophobicContact CG2-CB 3.81Å; L450-D454 HydrophobicContact CD1-CB 4.06Å; L450-D454 HydrophobicContact CG-CB 4.43Å; L450-D454 PolarHBondContact O-N 3.3Å |
| 455 | C | 94.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -127.7 | -173.5 | 179.5 | 70.2 | 0 | 0 | 0 | 0 | 112 | P222 R332 F424 K453 | P222-C455 HydrophobicContact CG-CB 4.28Å; R332-C455 WeakPolarHBondContact CD-O 3.5Å; R332-C455 PolarHBondContact NH1-O 3.45Å; F424-C455 WeakPolarHBondContact CD1-SG 3.27Å; K453-C455 VanDerWaalsContact C-N 3.28Å; K453-C455 PolarHBondContact O-N 3.41Å |
| 456 | I | 97.9 | Very high | 96.9 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | trans | -66.8 | 156.5 | 176.3 | 61.8 | 164.5 | 0 | 0 | 0 | 111.1 | P50 N220 P222 G330 R332 C373 F424 F458 | P50-I456 HydrophobicContact CG-CG2 4.26Å; N220-I456 HydrophobicContact CB-CD1 3.86Å; N220-I456 HydrophobicContact CB-CG1 4.15Å; P222-I456 HydrophobicContact CG-CG1 4.16Å; G330-I456 WeakPolarHBondContact O-CB 3.11Å; R332-I456 HydrophobicContact CB-CG2 4.1Å; C373-I456 HydrophobicContact CB-CD1 4.48Å; F424-I456 WeakPolarHBondContact CB-O 3.48Å; I456-F458 HydrophobicContact CD1-CD2 3.76Å; I456-F458 HydrophobicContact CD1-CE2 4.46Å; I456-F458 HydrophobicContact CG1-CB 4.46Å; I456-F458 HydrophobicContact CG1-CD2 4.41Å; I456-F458 PolarHBondContact O-N 2.93Å | ||
| 457 | G | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -64.9 | 125.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G330 C373 F424 | G330-G457 PolarHBondContact O-N 2.89Å; C373-G457 CarbonylContact C-O 3.57Å; C373-G457 WeakPolarHBondContact CA-O 3.26Å; F424-G457 WeakPolarHBondContact O-CA 3.46Å | ||
| 458 | F | 98.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 153.5 | -174 | -152.6 | -90.6 | 0 | 0 | 0 | 111.3 | P222 S223 V226 T372 C373 R423 F424 I456 I460 | P222-F458 HydrophobicContact CB-CB 3.54Å; P222-F458 HydrophobicContact CB-CD1 3.56Å; P222-F458 HydrophobicContact CB-CD2 4.02Å; P222-F458 HydrophobicContact CB-CE1 4.28Å; P222-F458 HydrophobicContact CB-CG 3.42Å; P222-F458 VanDerWaalsContact CB-CG 3.42Å; P222-F458 HydrophobicContact CG-CB 3.99Å; P222-F458 HydrophobicContact CG-CG 4.34Å; S223-F458 WeakPolarHBondContact OG-CE2 3.33Å; V226-F458 HydrophobicContact CG2-CE1 3.41Å; V226-F458 VanDerWaalsContact CG2-CE1 3.41Å; V226-F458 HydrophobicContact CG2-CZ 3.83Å; T372-F458 WeakPolarHBondContact O-CA 3.46Å; T372-F458 WeakPolarHBondContact O-CD2 3.49Å; T372-F458 WeakPolarHBondContact O-CG 3.44Å; C373-F458 HydrophobicContact CB-CD2 3.69Å; C373-F458 HydrophobicContact CB-CE2 3.78Å; R423-F458 WeakPolarHBondContact CA-O 3.33Å; F424-F458 HydrophobicContact CB-CB 4Å; F424-F458 HydrophobicContact CD2-CB 3.88Å; F424-F458 HydrophobicContact CD2-CD1 4.44Å; F424-F458 HydrophobicContact CG-CB 4.23Å; F424-F458 PolarHBondContact N-O 3.43Å; F424-F458 PolarHBondContact O-N 3.22Å; I456-F458 HydrophobicContact CD1-CD2 3.76Å; I456-F458 HydrophobicContact CD1-CE2 4.46Å; I456-F458 HydrophobicContact CG1-CB 4.46Å; I456-F458 HydrophobicContact CG1-CD2 4.41Å; I456-F458 PolarHBondContact O-N 2.93Å; F458-I460 HydrophobicContact CD1-CD1 4.22Å; F458-I460 HydrophobicContact CD1-CG1 3.79Å; F458-I460 HydrophobicContact CE1-CD1 4.2Å; F458-I460 HydrophobicContact CE1-CG1 3.8Å |
| 459 | F | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 140 | -179.3 | -179.7 | -98.6 | 0 | 0 | 0 | 111.4 | Y370 S371 T372 N380 E381 V384 L421 Q422 R423 A461 | Y370-F459 HydrophobicContact CD1-CD1 4.17Å; Y370-F459 HydrophobicContact CD1-CE1 4.01Å; Y370-F459 HydrophobicContact CE1-CD1 4.12Å; Y370-F459 HydrophobicContact CE1-CE1 4.13Å; S371-F459 WeakPolarHBondContact CA-O 3.41Å; S371-F459 WeakPolarHBondContact CB-O 3.34Å; T372-F459 PolarHBondContact N-O 3.12Å; T372-F459 VanDerWaalsContact N-O 3.1Å; T372-F459 PolarHBondContact O-N 3.47Å; N380-F459 HydrophobicContact CB-CB 4.29Å; N380-F459 HydrophobicContact CB-CD1 3.9Å; N380-F459 HydrophobicContact CB-CD2 3.8Å; N380-F459 HydrophobicContact CB-CE1 4.11Å; N380-F459 HydrophobicContact CB-CE2 4.02Å; N380-F459 HydrophobicContact CB-CG 3.73Å; N380-F459 HydrophobicContact CB-CZ 4.16Å; N380-F459 VanDerWaalsContact OD1-CB 3.31Å; N380-F459 WeakPolarHBondContact OD1-CB 3.39Å; E381-F459 HydrophobicContact CG-CE2 4.03Å; E381-F459 HydrophobicContact CG-CZ 4.43Å; V384-F459 HydrophobicContact CG2-CE1 3.87Å; V384-F459 HydrophobicContact CG2-CZ 3.68Å; L421-F459 HydrophobicContact CB-CE2 4.19Å; L421-F459 HydrophobicContact CD1-CE2 3.98Å; L421-F459 HydrophobicContact CD1-CZ 3.94Å; L421-F459 HydrophobicContact CD2-CZ 4.03Å; L421-F459 HydrophobicContact CG-CE2 4.46Å; L421-F459 HydrophobicContact CG-CZ 4.38Å; Q422-F459 CarbonylContact O-C 3.46Å; Q422-F459 WeakPolarHBondContact O-CA 3.2Å; R423-F459 HydrophobicContact CB-CD2 4.43Å; F459-A461 HydrophobicContact CE1-CB 3.89Å; F459-A461 HydrophobicContact CZ-CB 4.22Å |
| 460 | I | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 128.1 | 178.6 | -42.5 | 177.7 | 0 | 0 | 0 | 110.2 | V225 V226 I229 V369 Y370 Q399 Q422 F424 F458 | V225-I460 HydrophobicContact CB-CD1 4.38Å; V225-I460 HydrophobicContact CG1-CD1 3.83Å; V226-I460 HydrophobicContact CG2-CD1 3.64Å; V226-I460 HydrophobicContact CG2-CG1 3.92Å; V226-I460 HydrophobicContact CG2-CG2 4.46Å; I229-I460 HydrophobicContact CD1-CB 4.4Å; I229-I460 HydrophobicContact CD1-CD1 3.62Å; I229-I460 HydrophobicContact CD1-CG2 3.86Å; I229-I460 HydrophobicContact CG2-CG2 4.34Å; V369-I460 HydrophobicContact CG1-CG2 3.74Å; Y370-I460 WeakPolarHBondContact O-CA 3.41Å; Q399-I460 PolarHBondContact NE2-O 3.42Å; Q422-I460 HydrophobicContact CB-CB 4.25Å; Q422-I460 PolarHBondContact N-O 3.34Å; Q422-I460 PolarHBondContact O-N 3.11Å; F424-I460 HydrophobicContact CE2-CD1 3.95Å; F424-I460 HydrophobicContact CE2-CG1 4.46Å; F458-I460 HydrophobicContact CD1-CD1 4.22Å; F458-I460 HydrophobicContact CD1-CG1 3.79Å; F458-I460 HydrophobicContact CE1-CD1 4.2Å; F458-I460 HydrophobicContact CE1-CG1 3.8Å |
| 461 | A | 98.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V369 Y370 V384 L396 L421 F459 F463 | V369-A461 WeakPolarHBondContact CA-O 3.31Å; Y370-A461 PolarHBondContact N-O 2.66Å; Y370-A461 PolarHBondContact O-N 2.98Å; V384-A461 HydrophobicContact CG2-CB 3.65Å; L396-A461 HydrophobicContact CD1-CB 4.42Å; L421-A461 HydrophobicContact CD2-CB 3.69Å; F459-A461 HydrophobicContact CE1-CB 3.89Å; F459-A461 HydrophobicContact CZ-CB 4.22Å; A461-F463 HydrophobicContact CB-CE2 3.67Å; A461-F463 HydrophobicContact CB-CZ 4.04Å |
| 462 | K | 98.9 | Very high | 93 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.7 | 177.9 | -175.9 | 179.9 | 179.1 | 164.5 | 0 | 110.4 | I229 V367 V369 L396 Q397 Q399 | I229-K462 HydrophobicContact CG2-CB 4.1Å; I229-K462 HydrophobicContact CG2-CD 3.84Å; I229-K462 HydrophobicContact CG2-CG 4.33Å; I229-K462 WeakPolarHBondContact O-CE 3.49Å; I229-K462 PolarHBondContact O-NZ 3.34Å; V367-K462 HydrophobicContact CG1-CD 4.46Å; V367-K462 HydrophobicContact CG1-CG 4.03Å; V369-K462 HydrophobicContact CG2-CB 4.39Å; V369-K462 HydrophobicContact CG2-CG 4.18Å; L396-K462 WeakPolarHBondContact CD1-O 3.39Å; Q397-K462 HydrophobicContact CB-CB 4.49Å; Q397-K462 HydrophobicContact CB-CD 4.25Å; Q397-K462 HydrophobicContact CB-CG 4.13Å; Q397-K462 PolarHBondContact N-O 2.71Å; Q399-K462 HydrophobicContact CG-CB 3.88Å; Q399-K462 HydrophobicContact CG-CD 4.48Å |
| 463 | F | 98.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149 | 177 | -55 | -93.3 | 0 | 0 | 0 | 110.2 | F355 V367 L368 V384 A387 L388 L394 Q395 L396 A461 | F355-F463 HydrophobicContact CE2-CE2 4.1Å; F355-F463 HydrophobicContact CZ-CD2 4.1Å; F355-F463 AromaticContact CZ-CE2 3.77Å; F355-F463 HydrophobicContact CZ-CE2 3.77Å; F355-F463 HydrophobicContact CZ-CZ 4.13Å; V367-F463 WeakPolarHBondContact CA-O 3.38Å; L368-F463 HydrophobicContact CB-CB 4.34Å; L368-F463 HydrophobicContact CG-CD2 4.47Å; L368-F463 PolarHBondContact N-O 3.08Å; L368-F463 PolarHBondContact O-N 3.13Å; V384-F463 HydrophobicContact CB-CZ 4.36Å; V384-F463 HydrophobicContact CG1-CE1 4.22Å; V384-F463 HydrophobicContact CG1-CZ 3.98Å; V384-F463 HydrophobicContact CG2-CZ 4.11Å; A387-F463 HydrophobicContact CB-CZ 4.45Å; L388-F463 HydrophobicContact CD2-CD1 4.2Å; L388-F463 HydrophobicContact CD2-CE1 3.9Å; L388-F463 HydrophobicContact CG-CE1 4.26Å; L394-F463 HydrophobicContact CB-CB 4.49Å; L394-F463 HydrophobicContact CB-CD1 4.23Å; L394-F463 HydrophobicContact CD1-CB 4.48Å; L394-F463 HydrophobicContact CD1-CD1 4.35Å; L394-F463 HydrophobicContact CD1-CG 4.41Å; L394-F463 HydrophobicContact CD2-CB 4.34Å; Q395-F463 VanDerWaalsContact O-CA 3.3Å; Q395-F463 WeakPolarHBondContact O-CA 3.44Å; L396-F463 HydrophobicContact CD1-CD1 4.01Å; L396-F463 HydrophobicContact CD1-CE1 3.62Å; L396-F463 HydrophobicContact CD1-CE2 4.48Å; L396-F463 HydrophobicContact CD1-CZ 3.89Å; A461-F463 HydrophobicContact CB-CE2 3.67Å; A461-F463 HydrophobicContact CB-CZ 4.04Å |
| 464 | I | 98.7 | Very high | 92.6 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.6 | 162.2 | -166 | 169.6 | 0 | 0 | 0 | 108.7 | G366 L394 Q395 Q397 L466 | G366-I464 WeakPolarHBondContact O-CA 3.47Å; L394-I464 WeakPolarHBondContact CA-O 3.15Å; Q395-I464 HydrophobicContact CB-CG2 4.05Å; Q395-I464 PolarHBondContact N-O 3.42Å; Q395-I464 PolarHBondContact O-N 2.97Å; Q397-I464 HydrophobicContact CG-CB 3.84Å; Q397-I464 HydrophobicContact CG-CG2 3.68Å; I464-L466 HydrophobicContact CG2-CD2 4.4Å |
| 465 | K | 98.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.2 | 169.9 | -173.1 | 172.4 | 173.7 | -173.9 | 0 | 109.1 | E315 V359 L362 G365 G366 C393 L394 | E315-K465 WeakPolarHBondContact OE1-CE 3.48Å; E315-K465 IonicContact OE1-NZ 2.75Å; E315-K465 PolarHBondContact OE1-NZ 2.64Å; V359-K465 PolarHBondContact O-NZ 2.74Å; V359-K465 VanDerWaalsContact O-NZ 3.08Å; L362-K465 HydrophobicContact CB-CD 4.2Å; L362-K465 HydrophobicContact CD2-CB 3.78Å; L362-K465 HydrophobicContact CD2-CD 4.4Å; L362-K465 HydrophobicContact CG-CB 4.28Å; L362-K465 HydrophobicContact CG-CD 4.35Å; L362-K465 WeakPolarHBondContact O-CD 3.3Å; L362-K465 PolarHBondContact O-NZ 2.73Å; G365-K465 VanDerWaalsContact CA-O 3.29Å; G365-K465 WeakPolarHBondContact CA-O 3.42Å; G365-K465 PolarHBondContact N-O 3.21Å; G366-K465 PolarHBondContact O-N 3.29Å; C393-K465 HydrophobicContact CB-CG 4.49Å; C393-K465 CarbonylContact O-C 3.41Å; C393-K465 WeakPolarHBondContact O-CA 3.43Å; L394-K465 HydrophobicContact CD2-CB 4.09Å; L394-K465 HydrophobicContact CD2-CG 4.46Å |
| 466 | L | 96.8 | Very high | 92.2 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 40% | 0.403 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -65.9 | 147.5 | 178.2 | -60.6 | 177.9 | 0 | 0 | 0 | 110.5 | C393 Q395 I464 S468 | C393-L466 PolarHBondContact O-N 3.48Å; Q395-L466 HydrophobicContact CB-CD2 4.29Å; Q395-L466 HydrophobicContact CB-CG 4.42Å; I464-L466 HydrophobicContact CG2-CD2 4.4Å; L466-S468 PolarHBondContact O-N 3.26Å |
| 467 | N | 85.9 | Confident | 91.8 | Very high | 115 Ų | 115 | 51.5 Ų | 51.5 | 62% | 0.615 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 133.8 | 170.6 | -67.3 | -26.8 | 0 | 0 | 0 | 109.6 | P364 G365 K469 | P364-N467 VanDerWaalsContact CB-OD1 3.27Å; P364-N467 WeakPolarHBondContact CB-OD1 3.27Å; G365-N467 PolarHBondContact N-OD1 2.66Å; N467-K469 PolarHBondContact O-N 2.94Å; N467-K469 VanDerWaalsContact O-N 3.15Å |
| 468 | S | 72 | Confident | 91.3 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 71% | 0.713 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 120 | 167.1 | -55.3 | 0 | 0 | 0 | 0 | 107.8 | L466 | L466-S468 PolarHBondContact O-N 3.26Š|
| 469 | K | 49.8 | Very low | 90.6 | Very high | 278 Ų | 278 | 60.6 Ų | 60.6 | 100% | 1.209 | 31% | 0.308 | S | S | * | . | trans | -67.2 | 0 | 174.7 | -81.8 | -171.9 | 177.4 | -179.3 | 0 | 111.6 | N467 | N467-K469 PolarHBondContact O-N 2.94Å; N467-K469 VanDerWaalsContact O-N 3.15Å |
Retrieved 469 of 469 residues in 155.4 ms
(Link to these results)