| 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 | 58.7 | Low | 89.9 | Confident | 170 Ų | 170 | 32.5 Ų | 32.5 | 84% | 0.837 | 17% | 0.17 | S | C | * | . | 0 | 143.6 | 0 | -55.3 | -162.9 | -152.3 | 0 | 0 | 107.2 | V349 C350 K351 | M1-V349 HydrophobicContact CB-CG1 3.93Å; M1-V349 HydrophobicContact SD-CG1 4.19Å; M1-C350 WeakPolarHBondContact CA-O 3.5Å; M1-K351 HydrophobicContact CG-CG 4.19Å; M1-K351 HydrophobicContact SD-CD 4.5Å; M1-K351 HydrophobicContact SD-CG 4.18Å | |||
| 2 | S | 78.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141 | -177 | 37.8 | 0 | 0 | 0 | 0 | 109.4 | V349 C350 | S2-V349 CarbonylContact O-C 3.55Å; S2-C350 PolarHBondContact N-O 3.35Å; S2-C350 PolarHBondContact O-N 3.47Å |
| 3 | S | 86.3 | Confident | 90.4 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 48% | 0.476 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 152.3 | 165.1 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | K5 I348 | S3-K5 PolarHBondContact O-N 3.44Å; S3-I348 CarbonylContact C-O 2.84Å; S3-I348 VanDerWaalsContact CA-O 3.29Å; S3-I348 WeakPolarHBondContact CA-O 3.16Å |
| 4 | V | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 118.7 | 167.8 | 169.5 | 0 | 0 | 0 | 0 | 108.2 | V6 T319 M321 I348 | V4-V6 HydrophobicContact CG1-CG2 4.37Å; V4-T319 WeakPolarHBondContact CA-O 3.45Å; V4-T319 HydrophobicContact CG1-CG2 4.24Å; V4-T319 HydrophobicContact CG2-CG2 4.25Å; V4-M321 HydrophobicContact CG1-CB 4.48Å; V4-I348 HydrophobicContact CB-CB 4.32Å; V4-I348 HydrophobicContact CG2-CB 3.77Å; V4-I348 HydrophobicContact CG2-CG2 3.8Å; V4-I348 PolarHBondContact N-O 2.85Å |
| 5 | K | 94.1 | Very high | 90 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 141.6 | 172.7 | -74.7 | -175.6 | 177.2 | -179.8 | 0 | 109 | S3 D77 T319 T320 M321 | S3-K5 PolarHBondContact O-N 3.44Å; K5-D77 VanDerWaalsContact NZ-CG 3.26Å; K5-D77 IonicContact NZ-OD1 2.67Å; K5-D77 PolarHBondContact NZ-OD1 3Å; K5-D77 IonicContact NZ-OD2 3.87Å; K5-D77 PolarHBondContact NZ-OD2 2.69Å; K5-T319 PolarHBondContact N-O 3.48Å; K5-T319 VanDerWaalsContact N-O 3.1Å; K5-T320 HydrophobicContact CB-CG2 4Å; K5-T320 CarbonylContact O-C 3.6Å; K5-T320 VanDerWaalsContact O-CA 3.28Å; K5-T320 WeakPolarHBondContact O-CA 3.45Å; K5-M321 PolarHBondContact O-N 3.04Å |
| 6 | V | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.7 | -179.2 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | V4 F49 D50 M321 A342 A345 K346 | V4-V6 HydrophobicContact CG1-CG2 4.37Å; V6-F49 HydrophobicContact CB-CD1 4.32Å; V6-F49 HydrophobicContact CG1-CD1 3.59Å; V6-F49 HydrophobicContact CG1-CE1 4.14Å; V6-F49 HydrophobicContact CG1-CG 4.46Å; V6-F49 WeakPolarHBondContact O-CB 3.41Å; V6-D50 PolarHBondContact N-OD2 3.35Å; V6-D50 PolarHBondContact O-N 3.04Å; V6-M321 HydrophobicContact CG2-CB 4.36Å; V6-A342 HydrophobicContact CG1-CB 3.63Å; V6-A345 HydrophobicContact CG2-CB 4.11Å; V6-K346 HydrophobicContact CB-CB 4.47Å; V6-K346 HydrophobicContact CG2-CB 3.82Å; V6-K346 HydrophobicContact CG2-CG 4.38Å |
| 7 | A | 96.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 146.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y51 Y53 I74 M321 I322 A323 | A7-Y51 CarbonylContact C-O 3.53Å; A7-Y51 VanDerWaalsContact CA-O 3.31Å; A7-Y51 WeakPolarHBondContact CA-O 3.32Å; A7-Y51 HydrophobicContact CB-CD2 4.34Å; A7-Y53 HydrophobicContact CB-CD2 4.32Å; A7-Y53 HydrophobicContact CB-CE2 3.85Å; A7-I74 HydrophobicContact CB-CD1 3.51Å; A7-M321 PolarHBondContact N-O 2.72Å; A7-I322 CarbonylContact O-C 3.48Å; A7-I322 WeakPolarHBondContact O-CA 3.15Å; A7-A323 PolarHBondContact O-N 2.85Å |
| 8 | V | 97.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 149.9 | 167.3 | -65.7 | 0 | 0 | 0 | 0 | 110.6 | M28 T33 F49 Y51 S52 Y53 A323 L325 L339 A342 | V8-M28 HydrophobicContact CB-CE 4.5Å; V8-M28 HydrophobicContact CG2-CE 3.85Å; V8-T33 VanDerWaalsContact CG2-OG1 3.27Å; V8-T33 WeakPolarHBondContact CG2-OG1 3.26Å; V8-F49 HydrophobicContact CB-CD2 4.1Å; V8-F49 HydrophobicContact CB-CE2 4.35Å; V8-F49 HydrophobicContact CG1-CD1 4.12Å; V8-F49 HydrophobicContact CG1-CD2 3.49Å; V8-F49 VanDerWaalsContact CG1-CD2 3.49Å; V8-F49 HydrophobicContact CG1-CE1 4.12Å; V8-F49 HydrophobicContact CG1-CE2 3.47Å; V8-F49 VanDerWaalsContact CG1-CE2 3.47Å; V8-F49 HydrophobicContact CG1-CG 3.81Å; V8-F49 HydrophobicContact CG1-CZ 3.79Å; V8-F49 HydrophobicContact CG2-CB 4.42Å; V8-F49 HydrophobicContact CG2-CD2 3.42Å; V8-F49 VanDerWaalsContact CG2-CD2 3.42Å; V8-F49 HydrophobicContact CG2-CE2 3.93Å; V8-F49 HydrophobicContact CG2-CG 4.11Å; V8-Y51 PolarHBondContact N-O 3.42Å; V8-S52 WeakPolarHBondContact CG2-OG 3.32Å; V8-Y53 WeakPolarHBondContact O-CB 3.44Å; V8-Y53 WeakPolarHBondContact O-CD2 3.37Å; V8-Y53 PolarHBondContact O-N 2.96Å; V8-A323 CarbonylContact C-O 3.52Å; V8-A323 VanDerWaalsContact CA-O 3.29Å; V8-A323 WeakPolarHBondContact CA-O 3.39Å; V8-A323 HydrophobicContact CG1-CB 3.83Å; V8-L325 HydrophobicContact CB-CD1 4.06Å; V8-L325 HydrophobicContact CB-CG 4.47Å; V8-L339 HydrophobicContact CG1-CD2 4.22Å; V8-A342 HydrophobicContact CG1-CB 4.35Å |
| 9 | R | 97.4 | Very high | 89.8 | Confident | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 119.2 | 178.5 | -173.6 | 176.1 | -165.6 | -169.9 | 13.1 | 111.4 | Y53 S55 Q67 T103 A323 A324 L325 | R9-Y53 WeakPolarHBondContact CA-O 3.28Å; R9-Y53 HydrophobicContact CB-CD2 4.38Å; R9-S55 PolarHBondContact NE-OG 3.11Å; R9-Q67 VanDerWaalsContact CZ-OE1 3.27Å; R9-T103 PolarHBondContact NH1-OG1 3.26Å; R9-A323 PolarHBondContact N-O 3.45Å; R9-A324 CarbonylContact O-C 3.59Å; R9-A324 WeakPolarHBondContact O-CA 3.27Å; R9-L325 PolarHBondContact O-N 2.76Å |
| 10 | V | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.1 | 172.2 | 64.1 | 0 | 0 | 0 | 0 | 109.9 | I26 M28 Y53 W54 S55 H56 L325 P327 | V10-I26 HydrophobicContact CB-CG2 4.13Å; V10-I26 HydrophobicContact CG1-CG2 4.12Å; V10-I26 HydrophobicContact CG2-CB 4.29Å; V10-I26 HydrophobicContact CG2-CG2 4.17Å; V10-M28 HydrophobicContact CB-CE 3.82Å; V10-M28 HydrophobicContact CG1-CE 3.6Å; V10-M28 HydrophobicContact CG1-SD 3.81Å; V10-Y53 PolarHBondContact N-O 2.81Å; V10-W54 HydrophobicContact CG1-CD2 4.32Å; V10-W54 HydrophobicContact CG1-CE3 3.51Å; V10-W54 HydrophobicContact CG1-CZ3 4Å; V10-S55 CarbonylContact O-C 3.54Å; V10-S55 WeakPolarHBondContact O-CA 3.2Å; V10-S55 VanDerWaalsContact O-CB 3.23Å; V10-S55 WeakPolarHBondContact O-CB 3.39Å; V10-S55 PolarHBondContact O-N 3.48Å; V10-H56 HydrophobicContact CG1-CB 4.32Å; V10-H56 PolarHBondContact O-N 3.07Å; V10-L325 HydrophobicContact CB-CB 4.35Å; V10-P327 HydrophobicContact CG2-CB 3.67Å; V10-P327 HydrophobicContact CG2-CG 4.38Å |
| 11 | R | 94.9 | Very high | 89.7 | Confident | 26 Ų | 26 | 65 Ų | 65 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 172.9 | -178.4 | 63.9 | 149.8 | 172.1 | 68.5 | 5.2 | 112.8 | N14 E17 S55 H56 G97 S98 L325 P327 | R11-N14 PolarHBondContact NH2-ND2 3.14Å; R11-E17 IonicContact CZ-OE1 2.69Å; R11-E17 IonicContact CZ-OE2 3.43Å; R11-E17 IonicContact NH1-OE1 3.85Å; R11-E17 PolarHBondContact NH1-OE1 2.76Å; R11-E17 IonicContact NH1-OE2 3.36Å; R11-E17 PolarHBondContact NH1-OE2 3.26Å; R11-E17 IonicContact NH2-OE1 3.36Å; R11-E17 PolarHBondContact NH2-OE1 3.27Å; R11-E17 IonicContact NH2-OE2 3.1Å; R11-E17 PolarHBondContact NH2-OE2 3.22Å; R11-S55 CarbonylContact C-O 3.58Å; R11-H56 PolarHBondContact O-ND1 2.84Å; R11-G97 PolarHBondContact NE-O 3.27Å; R11-G97 PolarHBondContact NH2-O 3.38Å; R11-G97 VanDerWaalsContact NH2-O 3.15Å; R11-S98 WeakPolarHBondContact CD-O 3.4Å; R11-S98 WeakPolarHBondContact CG-O 3.33Å; R11-L325 PolarHBondContact N-O 2.73Å; R11-P327 WeakPolarHBondContact O-CD 3.35Å; R11-P327 WeakPolarHBondContact O-CG 3.49Å |
| 12 | P | 93.7 | Very high | 91.2 | Very high | 61 Ų | 61 | 57.6 Ų | 57.6 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 163.2 | 169.8 | -16.2 | 32.8 | 0 | 0 | 0 | 110.8 | N14 S55 H56 | P12-N14 PolarHBondContact O-N 3.23Å; P12-S55 WeakPolarHBondContact CD-O 3.48Å; P12-S55 VanDerWaalsContact CG-O 3.27Å; P12-S55 WeakPolarHBondContact CG-O 3.42Å; P12-H56 VanDerWaalsContact CA-O 3.28Å; P12-H56 WeakPolarHBondContact CA-O 3.31Å; P12-H56 WeakPolarHBondContact CB-O 3.45Å |
| 13 | F | 93.1 | Very high | 91.9 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 138.2 | 170.8 | -71.8 | -63.8 | 0 | 0 | 0 | 111.4 | E17 V18 S22 C24 H56 P327 A328 | F13-E17 WeakPolarHBondContact CA-OE2 3.43Å; F13-E17 HydrophobicContact CB-CB 4.31Å; F13-E17 HydrophobicContact CD1-CB 3.75Å; F13-E17 HydrophobicContact CG-CB 4.45Å; F13-V18 HydrophobicContact CB-CG2 3.74Å; F13-S22 VanDerWaalsContact CZ-O 3.31Å; F13-S22 WeakPolarHBondContact CZ-O 3.15Å; F13-C24 HydrophobicContact CE2-CB 4.48Å; F13-C24 HydrophobicContact CZ-CB 3.88Å; F13-H56 AromaticContact CD2-CE1 3.54Å; F13-H56 AromaticContact CD2-NE2 3.95Å; F13-H56 AromaticContact CE2-CE1 3.49Å; F13-H56 VanDerWaalsContact CE2-CE1 3.49Å; F13-H56 WeakPolarHBondContact CE2-CE1 3.44Å; F13-H56 AromaticContact CE2-NE2 3.59Å; F13-H56 AromaticContact CG-CE1 3.93Å; F13-H56 AromaticContact CZ-CE1 3.84Å; F13-P327 HydrophobicContact CD1-CB 4.49Å; F13-P327 HydrophobicContact CD1-CG 3.68Å; F13-P327 HydrophobicContact CE1-CB 4.22Å; F13-P327 HydrophobicContact CE1-CG 3.87Å; F13-P327 HydrophobicContact CG-CG 4.31Å; F13-A328 HydrophobicContact CD1-CB 4.17Å; F13-A328 HydrophobicContact CE1-CB 3.87Å |
| 14 | N | 88.4 | Confident | 92.3 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 169.3 | 172.1 | 74.9 | 38.7 | 0 | 0 | 0 | 110.9 | R11 P12 R16 E17 V18 | R11-N14 PolarHBondContact NH2-ND2 3.14Å; P12-N14 PolarHBondContact O-N 3.23Å; N14-R16 PolarHBondContact O-N 2.96Å; N14-R16 VanDerWaalsContact O-N 3.15Å; N14-R16 WeakPolarHBondContact OD1-CA 3.46Å; N14-R16 WeakPolarHBondContact OD1-CB 3.24Å; N14-R16 PolarHBondContact OD1-N 3.34Å; N14-E17 PolarHBondContact N-OE2 3.33Å; N14-E17 VanDerWaalsContact ND2-CD 3.33Å; N14-E17 PolarHBondContact ND2-OE1 2.91Å; N14-E17 PolarHBondContact O-N 3.22Å; N14-E17 VanDerWaalsContact O-N 3.09Å; N14-E17 PolarHBondContact OD1-N 3.14Å; N14-V18 WeakPolarHBondContact O-CG2 3.46Å; N14-V18 PolarHBondContact O-N 3.48Å |
| 15 | R | 86.7 | Confident | 92.5 | Very high | 212 Ų | 212 | 59.9 Ų | 59.9 | 80% | 0.8 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -55.6 | -33.7 | -178.3 | -173.3 | 176.8 | 179 | -178 | 0.1 | 113.7 | L19 | R15-L19 HydrophobicContact CG-CD1 4.02Å; R15-L19 WeakPolarHBondContact O-CB 3.11Å; R15-L19 WeakPolarHBondContact O-CD1 3.49Å; R15-L19 WeakPolarHBondContact O-CG 3.33Å; R15-L19 PolarHBondContact O-N 3.44Å; R15-L19 VanDerWaalsContact O-N 3.07Å |
| 16 | R | 85.3 | Confident | 92.5 | Very high | 137 Ų | 137 | 57.3 Ų | 57.3 | 52% | 0.517 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.8 | -43.8 | 177.4 | 177.5 | -179.8 | 173.7 | -171.4 | -3.6 | 111.3 | N14 L19 M20 | N14-R16 PolarHBondContact O-N 2.96Å; N14-R16 VanDerWaalsContact O-N 3.15Å; N14-R16 WeakPolarHBondContact OD1-CA 3.46Å; N14-R16 WeakPolarHBondContact OD1-CB 3.24Å; N14-R16 PolarHBondContact OD1-N 3.34Å; R16-L19 PolarHBondContact O-N 3.37Å; R16-M20 HydrophobicContact CG-CG 4.38Å; R16-M20 WeakPolarHBondContact O-CB 3.12Å; R16-M20 WeakPolarHBondContact O-CG 3.17Å; R16-M20 PolarHBondContact O-N 2.81Å |
| 17 | E | 91.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | -179.4 | -64.1 | 156.3 | 175.4 | 0 | 0 | 111.3 | R11 F13 N14 M20 N21 S22 S326 A328 V330 N331 | R11-E17 IonicContact CZ-OE1 2.69Å; R11-E17 IonicContact CZ-OE2 3.43Å; R11-E17 IonicContact NH1-OE1 3.85Å; R11-E17 PolarHBondContact NH1-OE1 2.76Å; R11-E17 IonicContact NH1-OE2 3.36Å; R11-E17 PolarHBondContact NH1-OE2 3.26Å; R11-E17 IonicContact NH2-OE1 3.36Å; R11-E17 PolarHBondContact NH2-OE1 3.27Å; R11-E17 IonicContact NH2-OE2 3.1Å; R11-E17 PolarHBondContact NH2-OE2 3.22Å; F13-E17 WeakPolarHBondContact CA-OE2 3.43Å; F13-E17 HydrophobicContact CB-CB 4.31Å; F13-E17 HydrophobicContact CD1-CB 3.75Å; F13-E17 HydrophobicContact CG-CB 4.45Å; N14-E17 PolarHBondContact N-OE2 3.33Å; N14-E17 VanDerWaalsContact ND2-CD 3.33Å; N14-E17 PolarHBondContact ND2-OE1 2.91Å; N14-E17 PolarHBondContact O-N 3.22Å; N14-E17 VanDerWaalsContact O-N 3.09Å; N14-E17 PolarHBondContact OD1-N 3.14Å; E17-M20 PolarHBondContact O-N 3.04Å; E17-N21 PolarHBondContact O-N 2.72Å; E17-S22 PolarHBondContact O-N 2.84Å; E17-S22 VanDerWaalsContact O-N 3.12Å; E17-S326 PolarHBondContact OE1-OG 2.81Å; E17-A328 HydrophobicContact CB-CB 4.1Å; E17-A328 HydrophobicContact CG-CB 3.61Å; E17-V330 HydrophobicContact CG-CG2 4.31Å; E17-N331 PolarHBondContact OE1-ND2 2.86Å |
| 18 | V | 89.7 | Confident | 92.3 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 53% | 0.533 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 170.5 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | F13 N14 M20 N21 | F13-V18 HydrophobicContact CB-CG2 3.74Å; N14-V18 WeakPolarHBondContact O-CG2 3.46Å; N14-V18 PolarHBondContact O-N 3.48Å; V18-M20 PolarHBondContact O-N 2.96Å; V18-N21 PolarHBondContact O-N 2.76Å; V18-N21 PolarHBondContact O-OD1 2.88Å |
| 19 | L | 88.7 | Confident | 91.9 | Very high | 130 Ų | 130 | 65.5 Ų | 65.5 | 68% | 0.681 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.3 | -18.8 | 177.4 | -75.4 | 169.7 | 0 | 0 | 0 | 114 | R15 R16 | R15-L19 HydrophobicContact CG-CD1 4.02Å; R15-L19 WeakPolarHBondContact O-CB 3.11Å; R15-L19 WeakPolarHBondContact O-CD1 3.49Å; R15-L19 WeakPolarHBondContact O-CG 3.33Å; R15-L19 PolarHBondContact O-N 3.44Å; R15-L19 VanDerWaalsContact O-N 3.07Å; R16-L19 PolarHBondContact O-N 3.37Å |
| 20 | M | 88 | Confident | 91.5 | Very high | 116 Ų | 116 | 68.2 Ų | 68.2 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 0.3 | 177.9 | -63.7 | -77.9 | -73.6 | 0 | 0 | 112.7 | R16 E17 V18 S22 | R16-M20 HydrophobicContact CG-CG 4.38Å; R16-M20 WeakPolarHBondContact O-CB 3.12Å; R16-M20 WeakPolarHBondContact O-CG 3.17Å; R16-M20 PolarHBondContact O-N 2.81Å; E17-M20 PolarHBondContact O-N 3.04Å; V18-M20 PolarHBondContact O-N 2.96Å; M20-S22 VanDerWaalsContact C-N 3.26Å; M20-S22 PolarHBondContact O-N 2.65Å |
| 21 | N | 89.5 | Confident | 91.3 | Very high | 148 Ų | 148 | 73.7 Ų | 73.7 | 79% | 0.791 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38.3 | -173.2 | -64.8 | -24.7 | 0 | 0 | 0 | 113.9 | E17 V18 | E17-N21 PolarHBondContact O-N 2.72Å; V18-N21 PolarHBondContact O-N 2.76Å; V18-N21 PolarHBondContact O-OD1 2.88Å |
| 22 | S | 90.9 | Very high | 91.3 | Very high | 14 Ų | 14 | 74.3 Ų | 74.3 | 10% | 0.098 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 134.9 | -177.2 | -86.5 | 0 | 0 | 0 | 0 | 114.4 | F13 E17 M20 D329 | F13-S22 VanDerWaalsContact CZ-O 3.31Å; F13-S22 WeakPolarHBondContact CZ-O 3.15Å; E17-S22 PolarHBondContact O-N 2.84Å; E17-S22 VanDerWaalsContact O-N 3.12Å; M20-S22 VanDerWaalsContact C-N 3.26Å; M20-S22 PolarHBondContact O-N 2.65Å; S22-D329 VanDerWaalsContact CA-OD1 3.32Å; S22-D329 WeakPolarHBondContact CA-OD1 3.38Å; S22-D329 WeakPolarHBondContact CB-OD1 3.42Å; S22-D329 PolarHBondContact OG-OD1 2.95Å |
| 23 | E | 92.1 | Very high | 91.4 | Very high | 97 Ų | 97 | 71.4 Ų | 71.4 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 148.7 | 165.9 | -77.1 | -168 | -154.7 | 0 | 0 | 111.7 | R36 D329 | E23-R36 IonicContact OE2-CZ 2.75Å; E23-R36 IonicContact OE2-NH1 2.74Å; E23-R36 PolarHBondContact OE2-NH1 2.9Å; E23-R36 VanDerWaalsContact OE2-NH1 3.1Å; E23-R36 IonicContact OE2-NH2 2.73Å; E23-R36 PolarHBondContact OE2-NH2 3.32Å; E23-D329 HydrophobicContact CB-CB 4.42Å; E23-D329 VanDerWaalsContact N-CG 3.33Å; E23-D329 PolarHBondContact N-OD2 3.07Å; E23-D329 PolarHBondContact O-N 3Å |
| 24 | C | 94.8 | Very high | 91.5 | Very high | 39 Ų | 39 | 69.3 Ų | 69.3 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -80 | 124.1 | 167.7 | -166 | 0 | 0 | 0 | 0 | 109.7 | F13 R36 P327 | F13-C24 HydrophobicContact CE2-CB 4.48Å; F13-C24 HydrophobicContact CZ-CB 3.88Å; C24-R36 PolarHBondContact O-NH2 3.14Å; C24-P327 WeakPolarHBondContact CA-O 3.41Å |
| 25 | V | 95.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | trans | -108.3 | -4.4 | -178 | -68.7 | 0 | 0 | 0 | 0 | 113.7 | I35 R36 P327 D329 | V25-I35 HydrophobicContact CG2-CG1 4.4Å; V25-I35 CarbonylContact O-C 3.49Å; V25-I35 WeakPolarHBondContact O-CA 3.28Å; V25-R36 WeakPolarHBondContact CB-O 3.05Å; V25-R36 PolarHBondContact O-N 3.35Å; V25-P327 VanDerWaalsContact CG2-O 3.31Å; V25-P327 WeakPolarHBondContact CG2-O 3.3Å; V25-P327 PolarHBondContact N-O 2.98Å; V25-D329 HydrophobicContact CG1-CB 3.83Å | ||
| 26 | I | 95.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.4 | 179.8 | -65.2 | -68.8 | 0 | 0 | 0 | 110.7 | V10 M28 T33 S34 I35 W54 L325 T335 L339 | V10-I26 HydrophobicContact CB-CG2 4.13Å; V10-I26 HydrophobicContact CG1-CG2 4.12Å; V10-I26 HydrophobicContact CG2-CB 4.29Å; V10-I26 HydrophobicContact CG2-CG2 4.17Å; I26-M28 HydrophobicContact CG2-CE 4.07Å; I26-M28 HydrophobicContact CG2-CG 4.24Å; I26-T33 HydrophobicContact CD1-CG2 4.44Å; I26-T33 HydrophobicContact CG2-CG2 4.23Å; I26-S34 WeakPolarHBondContact CA-O 3.49Å; I26-I35 HydrophobicContact CD1-CB 3.72Å; I26-I35 HydrophobicContact CD1-CD1 4.02Å; I26-I35 HydrophobicContact CD1-CG1 3.68Å; I26-W54 WeakPolarHBondContact O-CZ3 3.45Å; I26-L325 HydrophobicContact CD1-CD1 4.49Å; I26-T335 HydrophobicContact CD1-CG2 3.68Å; I26-T335 HydrophobicContact CG1-CG2 4.12Å; I26-L339 HydrophobicContact CD1-CD1 4.23Å |
| 27 | S | 92.9 | Very high | 92.5 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 42% | 0.42 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.8 | 167.5 | 66.3 | 0 | 0 | 0 | 0 | 109.9 | S34 | S27-S34 PolarHBondContact N-O 2.79Å; S27-S34 PolarHBondContact O-N 2.77Å; S27-S34 WeakPolarHBondContact OG-CB 3.49Å; S27-S34 PolarHBondContact OG-OG 3.5Å |
| 28 | M | 94.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 61 Ų | 61 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.1 | 179.2 | -63.5 | -176.3 | 171.4 | 0 | 0 | 110.9 | V8 V10 I26 S32 T33 S52 Y53 W54 L325 | V8-M28 HydrophobicContact CB-CE 4.5Å; V8-M28 HydrophobicContact CG2-CE 3.85Å; V10-M28 HydrophobicContact CB-CE 3.82Å; V10-M28 HydrophobicContact CG1-CE 3.6Å; V10-M28 HydrophobicContact CG1-SD 3.81Å; I26-M28 HydrophobicContact CG2-CE 4.07Å; I26-M28 HydrophobicContact CG2-CG 4.24Å; M28-S32 WeakPolarHBondContact CA-O 3.38Å; M28-T33 HydrophobicContact CE-CG2 3.99Å; M28-T33 WeakPolarHBondContact CE-OG1 3.27Å; M28-T33 HydrophobicContact CG-CG2 4.29Å; M28-T33 WeakPolarHBondContact CG-OG1 3.37Å; M28-S52 VanDerWaalsContact SD-C 3.58Å; M28-Y53 VanDerWaalsContact SD-O 3.37Å; M28-W54 HydrophobicContact CB-CB 4.47Å; M28-W54 HydrophobicContact CB-CE3 4.41Å; M28-W54 HydrophobicContact CG-CE3 4.29Å; M28-W54 HydrophobicContact SD-CB 4.29Å; M28-L325 HydrophobicContact CE-CD1 4.04Å |
| 29 | S | 88.8 | Confident | 91.9 | Very high | 91 Ų | 91 | 65.1 Ų | 65.1 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 104.2 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | Q31 S32 | S29-Q31 PolarHBondContact O-N 2.84Å; S29-S32 PolarHBondContact N-O 3.17Å; S29-S32 PolarHBondContact O-N 3.17Å; S29-S32 VanDerWaalsContact O-N 3.09Å |
| 30 | G | 89.2 | Confident | 91.6 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 67% | 0.67 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -120.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S52 | G30-S52 WeakPolarHBondContact O-CB 3.47Š|
| 31 | Q | 92.7 | Very high | 91.3 | Very high | 114 Ų | 114 | 65.7 Ų | 65.7 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -15.4 | 176.8 | -79.5 | 176.9 | 88.7 | 0 | 0 | 113.6 | S29 F49 S52 | S29-Q31 PolarHBondContact O-N 2.84Å; Q31-F49 VanDerWaalsContact CB-O 3.22Å; Q31-F49 WeakPolarHBondContact CB-O 3.04Å; Q31-F49 WeakPolarHBondContact CG-O 3.42Å; Q31-F49 PolarHBondContact O-N 3.11Å; Q31-F49 VanDerWaalsContact O-N 3.1Å; Q31-S52 PolarHBondContact O-OG 2.94Å |
| 32 | S | 94.7 | Very high | 91 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131 | -174.7 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | M28 S29 F47 | M28-S32 WeakPolarHBondContact CA-O 3.38Å; S29-S32 PolarHBondContact N-O 3.17Å; S29-S32 PolarHBondContact O-N 3.17Å; S29-S32 VanDerWaalsContact O-N 3.09Å; S32-F47 WeakPolarHBondContact CA-O 3.11Å |
| 33 | T | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.6 | 168.6 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | V8 I26 M28 V46 F47 S52 L325 L339 | V8-T33 VanDerWaalsContact CG2-OG1 3.27Å; V8-T33 WeakPolarHBondContact CG2-OG1 3.26Å; I26-T33 HydrophobicContact CD1-CG2 4.44Å; I26-T33 HydrophobicContact CG2-CG2 4.23Å; M28-T33 HydrophobicContact CE-CG2 3.99Å; M28-T33 WeakPolarHBondContact CE-OG1 3.27Å; M28-T33 HydrophobicContact CG-CG2 4.29Å; M28-T33 WeakPolarHBondContact CG-OG1 3.37Å; T33-V46 WeakPolarHBondContact O-CA 3.5Å; T33-F47 PolarHBondContact N-O 2.99Å; T33-F47 PolarHBondContact O-N 2.95Å; T33-S52 VanDerWaalsContact OG1-CB 3.32Å; T33-S52 WeakPolarHBondContact OG1-CB 3.44Å; T33-S52 PolarHBondContact OG1-OG 2.83Å; T33-L325 HydrophobicContact CG2-CD1 4.4Å; T33-L339 HydrophobicContact CG2-CD2 3.85Å |
| 34 | S | 95.5 | Very high | 90.7 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.6 | 175.3 | 122.3 | 0 | 0 | 0 | 0 | 111.1 | I26 S27 K45 | I26-S34 WeakPolarHBondContact CA-O 3.49Å; S27-S34 PolarHBondContact N-O 2.79Å; S27-S34 PolarHBondContact O-N 2.77Å; S27-S34 WeakPolarHBondContact OG-CB 3.49Å; S27-S34 PolarHBondContact OG-OG 3.5Å; S34-K45 CarbonylContact C-O 3.53Å; S34-K45 WeakPolarHBondContact CA-O 3.19Å |
| 35 | I | 96.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.4 | 170.5 | -167.3 | -179.9 | 0 | 0 | 0 | 111.3 | V25 I26 S44 K45 F47 F332 T335 L336 L339 | V25-I35 HydrophobicContact CG2-CG1 4.4Å; V25-I35 CarbonylContact O-C 3.49Å; V25-I35 WeakPolarHBondContact O-CA 3.28Å; I26-I35 HydrophobicContact CD1-CB 3.72Å; I26-I35 HydrophobicContact CD1-CD1 4.02Å; I26-I35 HydrophobicContact CD1-CG1 3.68Å; I35-S44 WeakPolarHBondContact O-CA 3.08Å; I35-K45 HydrophobicContact CG2-CB 3.93Å; I35-K45 PolarHBondContact N-O 3.18Å; I35-K45 PolarHBondContact O-N 3.47Å; I35-F47 HydrophobicContact CG2-CE2 4.17Å; I35-F332 HydrophobicContact CD1-CD2 3.56Å; I35-F332 HydrophobicContact CD1-CE2 3.7Å; I35-F332 HydrophobicContact CD1-CG 4.41Å; I35-F332 HydrophobicContact CG1-CD2 3.84Å; I35-F332 HydrophobicContact CG1-CE2 3.79Å; I35-T335 HydrophobicContact CD1-CG2 3.95Å; I35-L336 HydrophobicContact CD1-CB 4.18Å; I35-L336 HydrophobicContact CG2-CD1 4.09Å; I35-L339 HydrophobicContact CB-CD1 3.98Å; I35-L339 HydrophobicContact CD1-CD1 4.21Å; I35-L339 HydrophobicContact CG2-CD1 3.85Å |
| 36 | R | 93.9 | Very high | 90.6 | Very high | 102 Ų | 102 | 71.7 Ų | 71.7 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 133.7 | 175.1 | 179 | 177.9 | 60.3 | 116.9 | 5.7 | 109.5 | E23 C24 V25 | E23-R36 IonicContact OE2-CZ 2.75Å; E23-R36 IonicContact OE2-NH1 2.74Å; E23-R36 PolarHBondContact OE2-NH1 2.9Å; E23-R36 VanDerWaalsContact OE2-NH1 3.1Å; E23-R36 IonicContact OE2-NH2 2.73Å; E23-R36 PolarHBondContact OE2-NH2 3.32Å; C24-R36 PolarHBondContact O-NH2 3.14Å; V25-R36 WeakPolarHBondContact CB-O 3.05Å; V25-R36 PolarHBondContact O-N 3.35Å |
| 37 | K | 91 | Very high | 90.6 | Very high | 86 Ų | 86 | 72.4 Ų | 72.4 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 126.3 | 173.3 | -176.3 | 173.3 | 156.9 | -160.3 | 0 | 109.9 | S40 E42 F332 | K37-S40 PolarHBondContact O-N 3.39Å; K37-E42 VanDerWaalsContact CD-OE2 3.26Å; K37-E42 WeakPolarHBondContact CD-OE2 3.41Å; K37-E42 WeakPolarHBondContact CE-OE2 3.28Å; K37-E42 IonicContact NZ-OE1 3.38Å; K37-E42 IonicContact NZ-OE2 2.73Å; K37-E42 PolarHBondContact NZ-OE2 2.79Å; K37-F332 VanDerWaalsContact CA-CE2 3.42Å; K37-F332 HydrophobicContact CB-CD2 4.42Å; K37-F332 HydrophobicContact CB-CE1 4.27Å; K37-F332 HydrophobicContact CB-CE2 3.65Å; K37-F332 HydrophobicContact CB-CZ 3.56Å; K37-F332 HydrophobicContact CD-CE1 4.08Å; K37-F332 HydrophobicContact CD-CZ 4.04Å; K37-F332 HydrophobicContact CG-CD1 4.43Å; K37-F332 HydrophobicContact CG-CE1 3.9Å; K37-F332 HydrophobicContact CG-CE2 4.12Å; K37-F332 HydrophobicContact CG-CZ 3.72Å |
| 38 | P | 84.1 | Confident | 90.8 | Very high | 37 Ų | 37 | 75.3 Ų | 75.3 | 24% | 0.24 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 142.1 | -179.7 | 25.8 | -34 | 0 | 0 | 0 | 110.5 | S40 D329 | P38-S40 PolarHBondContact O-N 3.4Å; P38-D329 HydrophobicContact CB-CB 4.14Å; P38-D329 HydrophobicContact CG-CB 4.13Å |
| 39 | N | 83.7 | Confident | 90.8 | Very high | 174 Ų | 174 | 74.3 Ų | 74.3 | 93% | 0.93 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 18.9 | -178.5 | -61.1 | -43.8 | 0 | 0 | 0 | 116.3 | ||
| 40 | S | 83.4 | Confident | 91.1 | Very high | 39 Ų | 39 | 72.2 Ų | 72.2 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | trans | -104.6 | 152.2 | 176 | -166.6 | 0 | 0 | 0 | 0 | 113 | K37 P38 E42 | K37-S40 PolarHBondContact O-N 3.39Å; P38-S40 PolarHBondContact O-N 3.4Å; S40-E42 WeakPolarHBondContact OG-CB 3.16Å; S40-E42 VanDerWaalsContact OG-CG 3.28Å; S40-E42 WeakPolarHBondContact OG-CG 3.42Å; S40-E42 PolarHBondContact OG-N 2.81Å; S40-E42 VanDerWaalsContact OG-N 3.08Å; S40-E42 PolarHBondContact OG-OE2 2.92Å | ||
| 41 | K | 81.9 | Confident | 91.4 | Very high | 220 Ų | 220 | 72.2 Ų | 72.2 | 96% | 0.957 | 37% | 0.367 | S | S | * | . | trans | -94.3 | 0.7 | 166 | -65.3 | -174.4 | 178.9 | -178.4 | 0 | 112.9 | ||||
| 42 | E | 83.4 | Confident | 91.6 | Very high | 95 Ų | 95 | 67.6 Ų | 67.6 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -64.1 | 142.2 | 173.2 | -67.6 | 161.3 | 115 | 0 | 0 | 110.3 | K37 S40 | K37-E42 VanDerWaalsContact CD-OE2 3.26Å; K37-E42 WeakPolarHBondContact CD-OE2 3.41Å; K37-E42 WeakPolarHBondContact CE-OE2 3.28Å; K37-E42 IonicContact NZ-OE1 3.38Å; K37-E42 IonicContact NZ-OE2 2.73Å; K37-E42 PolarHBondContact NZ-OE2 2.79Å; S40-E42 WeakPolarHBondContact OG-CB 3.16Å; S40-E42 VanDerWaalsContact OG-CG 3.28Å; S40-E42 WeakPolarHBondContact OG-CG 3.42Å; S40-E42 PolarHBondContact OG-N 2.81Å; S40-E42 VanDerWaalsContact OG-N 3.08Å; S40-E42 PolarHBondContact OG-OE2 2.92Å |
| 43 | P | 87.6 | Confident | 91.7 | Very high | 115 Ų | 115 | 66 Ų | 66 | 75% | 0.747 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 148.2 | 175.2 | 27.6 | -34.8 | 0 | 0 | 0 | 111.5 | K45 | P43-K45 PolarHBondContact O-N 2.86Š|
| 44 | S | 89.6 | Confident | 91.7 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 137.3 | 174.1 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | I35 | I35-S44 WeakPolarHBondContact O-CA 3.08Š|
| 45 | K | 93.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 67 Ų | 67 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 118.8 | 177.3 | -67.1 | 168.4 | -173.5 | 165.8 | 0 | 108.4 | S34 I35 P43 F47 L336 | S34-K45 CarbonylContact C-O 3.53Å; S34-K45 WeakPolarHBondContact CA-O 3.19Å; I35-K45 HydrophobicContact CG2-CB 3.93Å; I35-K45 PolarHBondContact N-O 3.18Å; I35-K45 PolarHBondContact O-N 3.47Å; P43-K45 PolarHBondContact O-N 2.86Å; K45-F47 HydrophobicContact CB-CE2 3.98Å; K45-L336 HydrophobicContact CD-CD1 3.92Å; K45-L336 HydrophobicContact CD-CD2 4.43Å |
| 46 | V | 94.3 | Very high | 91.5 | Very high | 91 Ų | 91 | 68.2 Ų | 68.2 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 138.9 | 179.4 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | T33 | T33-V46 WeakPolarHBondContact O-CA 3.5Å |
| 47 | F | 96.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 10% | 0.101 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.4 | 174.7 | -61.2 | -93.3 | 0 | 0 | 0 | 109.2 | S32 T33 I35 K45 F49 L336 L339 R340 D343 | S32-F47 WeakPolarHBondContact CA-O 3.11Å; T33-F47 PolarHBondContact N-O 2.99Å; T33-F47 PolarHBondContact O-N 2.95Å; I35-F47 HydrophobicContact CG2-CE2 4.17Å; K45-F47 HydrophobicContact CB-CE2 3.98Å; F47-F49 HydrophobicContact CB-CD2 4.33Å; F47-F49 HydrophobicContact CB-CE1 4.38Å; F47-F49 HydrophobicContact CB-CE2 3.4Å; F47-F49 VanDerWaalsContact CB-CE2 3.4Å; F47-F49 HydrophobicContact CB-CZ 3.44Å; F47-F49 VanDerWaalsContact CB-CZ 3.44Å; F47-F49 HydrophobicContact CD1-CZ 4.41Å; F47-F49 HydrophobicContact CG-CE2 4.34Å; F47-F49 HydrophobicContact CG-CZ 4.08Å; F47-L336 HydrophobicContact CE2-CD1 4.1Å; F47-L336 HydrophobicContact CZ-CD1 3.92Å; F47-L339 HydrophobicContact CD1-CB 4.45Å; F47-L339 HydrophobicContact CD2-CB 3.95Å; F47-L339 HydrophobicContact CD2-CD1 4.05Å; F47-L339 HydrophobicContact CD2-CD2 4.22Å; F47-L339 HydrophobicContact CD2-CG 4.31Å; F47-L339 HydrophobicContact CE1-CB 4.27Å; F47-L339 HydrophobicContact CE2-CB 3.75Å; F47-L339 HydrophobicContact CE2-CD1 3.93Å; F47-L339 HydrophobicContact CE2-CG 4.35Å; F47-L339 HydrophobicContact CG-CB 4.29Å; F47-L339 HydrophobicContact CZ-CB 3.92Å; F47-R340 HydrophobicContact CE1-CG 4.09Å; F47-R340 HydrophobicContact CZ-CG 4.06Å; F47-D343 HydrophobicContact CD1-CB 4.04Å; F47-D343 HydrophobicContact CE1-CB 4.4Å |
| 48 | E | 95.4 | Very high | 91.2 | Very high | 121 Ų | 121 | 66.2 Ų | 66.2 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 115.5 | -178.1 | -66.3 | -173.8 | 163.4 | 0 | 0 | 111.6 | K346 | E48-K346 PolarHBondContact O-NZ 2.75Å |
| 49 | F | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | trans | -116.5 | 159.2 | -177.7 | -56.7 | -66.6 | 0 | 0 | 0 | 110.1 | V6 V8 Q31 F47 Y51 L339 A342 D343 | V6-F49 HydrophobicContact CB-CD1 4.32Å; V6-F49 HydrophobicContact CG1-CD1 3.59Å; V6-F49 HydrophobicContact CG1-CE1 4.14Å; V6-F49 HydrophobicContact CG1-CG 4.46Å; V6-F49 WeakPolarHBondContact O-CB 3.41Å; V8-F49 HydrophobicContact CB-CD2 4.1Å; V8-F49 HydrophobicContact CB-CE2 4.35Å; V8-F49 HydrophobicContact CG1-CD1 4.12Å; V8-F49 HydrophobicContact CG1-CD2 3.49Å; V8-F49 VanDerWaalsContact CG1-CD2 3.49Å; V8-F49 HydrophobicContact CG1-CE1 4.12Å; V8-F49 HydrophobicContact CG1-CE2 3.47Å; V8-F49 VanDerWaalsContact CG1-CE2 3.47Å; V8-F49 HydrophobicContact CG1-CG 3.81Å; V8-F49 HydrophobicContact CG1-CZ 3.79Å; V8-F49 HydrophobicContact CG2-CB 4.42Å; V8-F49 HydrophobicContact CG2-CD2 3.42Å; V8-F49 VanDerWaalsContact CG2-CD2 3.42Å; V8-F49 HydrophobicContact CG2-CE2 3.93Å; V8-F49 HydrophobicContact CG2-CG 4.11Å; Q31-F49 VanDerWaalsContact CB-O 3.22Å; Q31-F49 WeakPolarHBondContact CB-O 3.04Å; Q31-F49 WeakPolarHBondContact CG-O 3.42Å; Q31-F49 PolarHBondContact O-N 3.11Å; Q31-F49 VanDerWaalsContact O-N 3.1Å; F47-F49 HydrophobicContact CB-CD2 4.33Å; F47-F49 HydrophobicContact CB-CE1 4.38Å; F47-F49 HydrophobicContact CB-CE2 3.4Å; F47-F49 VanDerWaalsContact CB-CE2 3.4Å; F47-F49 HydrophobicContact CB-CZ 3.44Å; F47-F49 VanDerWaalsContact CB-CZ 3.44Å; F47-F49 HydrophobicContact CD1-CZ 4.41Å; F47-F49 HydrophobicContact CG-CE2 4.34Å; F47-F49 HydrophobicContact CG-CZ 4.08Å; F49-Y51 PolarHBondContact O-N 2.81Å; F49-L339 HydrophobicContact CE2-CD2 3.53Å; F49-L339 HydrophobicContact CZ-CD2 3.74Å; F49-A342 HydrophobicContact CD1-CB 4.25Å; F49-A342 HydrophobicContact CE1-CB 3.54Å; F49-A342 HydrophobicContact CZ-CB 4.07Å; F49-D343 HydrophobicContact CE1-CB 4.43Å | ||
| 50 | D | 94.8 | Very high | 91.3 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -63.2 | -29.5 | 178.6 | -50.4 | -76.7 | 0 | 0 | 0 | 110.9 | V6 | V6-D50 PolarHBondContact N-OD2 3.35Å; V6-D50 PolarHBondContact O-N 3.04Å |
| 51 | Y | 95.7 | Very high | 91.5 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 136.6 | 170.3 | -53.5 | -93.7 | 0 | 0 | 0 | 111.5 | A7 V8 F49 Y53 D73 I74 | A7-Y51 CarbonylContact C-O 3.53Å; A7-Y51 VanDerWaalsContact CA-O 3.31Å; A7-Y51 WeakPolarHBondContact CA-O 3.32Å; A7-Y51 HydrophobicContact CB-CD2 4.34Å; V8-Y51 PolarHBondContact N-O 3.42Å; F49-Y51 PolarHBondContact O-N 2.81Å; Y51-Y53 HydrophobicContact CD1-CE1 4.41Å; Y51-Y53 WeakPolarHBondContact CD1-OH 3.44Å; Y51-Y53 HydrophobicContact CG-CE2 4.37Å; Y51-Y53 AromaticContact CG-CZ 3.92Å; Y51-D73 HydrophobicContact CD1-CB 4.12Å; Y51-D73 HydrophobicContact CE1-CB 3.75Å; Y51-I74 HydrophobicContact CD2-CD1 4.47Å; Y51-I74 HydrophobicContact CD2-CG1 4.37Å; Y51-I74 HydrophobicContact CE2-CG1 4.4Å |
| 52 | S | 96.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 12% | 0.119 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 97.7 | 171 | -71.6 | 0 | 0 | 0 | 0 | 110.5 | V8 M28 G30 Q31 T33 | V8-S52 WeakPolarHBondContact CG2-OG 3.32Å; M28-S52 VanDerWaalsContact SD-C 3.58Å; G30-S52 WeakPolarHBondContact O-CB 3.47Å; Q31-S52 PolarHBondContact O-OG 2.94Å; T33-S52 VanDerWaalsContact OG1-CB 3.32Å; T33-S52 WeakPolarHBondContact OG1-CB 3.44Å; T33-S52 PolarHBondContact OG1-OG 2.83Å |
| 53 | Y | 96.5 | Very high | 91.9 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 2% | 0.024 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110.3 | -174.8 | -62.9 | -59.8 | 0 | 0 | 0 | 113.2 | A7 V8 R9 V10 M28 Y51 S55 A65 Q69 V70 D73 I74 | A7-Y53 HydrophobicContact CB-CD2 4.32Å; A7-Y53 HydrophobicContact CB-CE2 3.85Å; V8-Y53 WeakPolarHBondContact O-CB 3.44Å; V8-Y53 WeakPolarHBondContact O-CD2 3.37Å; V8-Y53 PolarHBondContact O-N 2.96Å; R9-Y53 WeakPolarHBondContact CA-O 3.28Å; R9-Y53 HydrophobicContact CB-CD2 4.38Å; V10-Y53 PolarHBondContact N-O 2.81Å; M28-Y53 VanDerWaalsContact SD-O 3.37Å; Y51-Y53 HydrophobicContact CD1-CE1 4.41Å; Y51-Y53 WeakPolarHBondContact CD1-OH 3.44Å; Y51-Y53 HydrophobicContact CG-CE2 4.37Å; Y51-Y53 AromaticContact CG-CZ 3.92Å; Y53-S55 PolarHBondContact O-N 3.31Å; Y53-A65 HydrophobicContact CD1-CB 3.62Å; Y53-A65 HydrophobicContact CG-CB 4.09Å; Y53-Q69 HydrophobicContact CE1-CG 4.39Å; Y53-V70 HydrophobicContact CD1-CG2 3.97Å; Y53-V70 HydrophobicContact CD2-CG1 4.48Å; Y53-V70 HydrophobicContact CD2-CG2 3.86Å; Y53-V70 HydrophobicContact CE1-CG2 4.11Å; Y53-V70 HydrophobicContact CE2-CB 4.44Å; Y53-V70 HydrophobicContact CE2-CG1 4.09Å; Y53-V70 HydrophobicContact CE2-CG2 3.98Å; Y53-V70 HydrophobicContact CG-CG2 3.84Å; Y53-D73 VanDerWaalsContact CE1-OD2 3.29Å; Y53-D73 WeakPolarHBondContact CE1-OD2 3.09Å; Y53-D73 WeakPolarHBondContact OH-CB 3.39Å; Y53-D73 PolarHBondContact OH-OD2 2.86Å; Y53-D73 VanDerWaalsContact OH-OD2 3.06Å; Y53-I74 HydrophobicContact CE2-CD1 3.8Å |
| 54 | W | 96 | Very high | 92.2 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 92.1 | 170.7 | -178.4 | -104.6 | 0 | 0 | 0 | 110.1 | V10 I26 M28 H56 T57 D61 L63 Y64 A65 | V10-W54 HydrophobicContact CG1-CD2 4.32Å; V10-W54 HydrophobicContact CG1-CE3 3.51Å; V10-W54 HydrophobicContact CG1-CZ3 4Å; I26-W54 WeakPolarHBondContact O-CZ3 3.45Å; M28-W54 HydrophobicContact CB-CB 4.47Å; M28-W54 HydrophobicContact CB-CE3 4.41Å; M28-W54 HydrophobicContact CG-CE3 4.29Å; M28-W54 HydrophobicContact SD-CB 4.29Å; W54-H56 HydrophobicContact CD2-CB 4.01Å; W54-H56 HydrophobicContact CE3-CB 4.13Å; W54-H56 HydrophobicContact CH2-CB 3.88Å; W54-H56 AromaticContact CH2-CD2 3.69Å; W54-H56 HydrophobicContact CZ2-CB 3.77Å; W54-H56 AromaticContact CZ2-CD2 3.73Å; W54-H56 HydrophobicContact CZ3-CB 4.05Å; W54-T57 HydrophobicContact CZ2-CG2 4.14Å; W54-T57 PolarHBondContact NE1-OG1 2.87Å; W54-D61 PolarHBondContact NE1-OD2 3.43Å; W54-L63 HydrophobicContact CB-CB 4.37Å; W54-L63 HydrophobicContact CG-CB 4.28Å; W54-Y64 CarbonylContact O-C 3.57Å; W54-Y64 VanDerWaalsContact O-CA 3.31Å; W54-Y64 WeakPolarHBondContact O-CA 3.17Å; W54-A65 PolarHBondContact O-N 3.47Å |
| 55 | S | 94.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 31% | 0.307 | C | S | . | . | trans | -105.3 | 27.9 | 172.2 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | R9 V10 R11 P12 Y53 A65 | R9-S55 PolarHBondContact NE-OG 3.11Å; V10-S55 CarbonylContact O-C 3.54Å; V10-S55 WeakPolarHBondContact O-CA 3.2Å; V10-S55 VanDerWaalsContact O-CB 3.23Å; V10-S55 WeakPolarHBondContact O-CB 3.39Å; V10-S55 PolarHBondContact O-N 3.48Å; R11-S55 CarbonylContact C-O 3.58Å; P12-S55 WeakPolarHBondContact CD-O 3.48Å; P12-S55 VanDerWaalsContact CG-O 3.27Å; P12-S55 WeakPolarHBondContact CG-O 3.42Å; Y53-S55 PolarHBondContact O-N 3.31Å; S55-A65 WeakPolarHBondContact CB-O 3.4Å; S55-A65 PolarHBondContact OG-O 2.81Å | ||
| 56 | H | 93.9 | Very high | 92.3 | Very high | 28 Ų | 28 | 56 Ų | 56 | 13% | 0.13 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -81.7 | -34 | -172.6 | -175.8 | 61.9 | 0 | 0 | 0 | 114.1 | V10 R11 P12 F13 W54 P327 | V10-H56 HydrophobicContact CG1-CB 4.32Å; V10-H56 PolarHBondContact O-N 3.07Å; R11-H56 PolarHBondContact O-ND1 2.84Å; P12-H56 VanDerWaalsContact CA-O 3.28Å; P12-H56 WeakPolarHBondContact CA-O 3.31Å; P12-H56 WeakPolarHBondContact CB-O 3.45Å; F13-H56 AromaticContact CD2-CE1 3.54Å; F13-H56 AromaticContact CD2-NE2 3.95Å; F13-H56 AromaticContact CE2-CE1 3.49Å; F13-H56 VanDerWaalsContact CE2-CE1 3.49Å; F13-H56 WeakPolarHBondContact CE2-CE1 3.44Å; F13-H56 AromaticContact CE2-NE2 3.59Å; F13-H56 AromaticContact CG-CE1 3.93Å; F13-H56 AromaticContact CZ-CE1 3.84Å; W54-H56 HydrophobicContact CD2-CB 4.01Å; W54-H56 HydrophobicContact CE3-CB 4.13Å; W54-H56 HydrophobicContact CH2-CB 3.88Å; W54-H56 AromaticContact CH2-CD2 3.69Å; W54-H56 HydrophobicContact CZ2-CB 3.77Å; W54-H56 AromaticContact CZ2-CD2 3.73Å; W54-H56 HydrophobicContact CZ3-CB 4.05Å; H56-P327 WeakPolarHBondContact CE1-CB 3.24Å; H56-P327 VanDerWaalsContact ND1-CB 3.32Å; H56-P327 WeakPolarHBondContact ND1-CB 3.47Å; H56-P327 WeakPolarHBondContact ND1-CG 3.37Å |
| 57 | T | 91.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 51.9 Ų | 51.9 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -96.2 | -147.8 | -176.2 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | W54 D61 Y64 | W54-T57 HydrophobicContact CZ2-CG2 4.14Å; W54-T57 PolarHBondContact NE1-OG1 2.87Å; T57-D61 WeakPolarHBondContact CB-OD2 2.92Å; T57-D61 HydrophobicContact CG2-CB 4.46Å; T57-D61 WeakPolarHBondContact CG2-OD2 3.5Å; T57-D61 VanDerWaalsContact OG1-CB 3.27Å; T57-D61 WeakPolarHBondContact OG1-CB 3.18Å; T57-D61 PolarHBondContact OG1-OD2 3.42Å; T57-Y64 WeakPolarHBondContact O-CD2 3.36Å; T57-Y64 WeakPolarHBondContact O-CE2 3.06Å |
| 58 | D | 86.8 | Confident | 92.2 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | trans | -126.9 | -177 | 173.7 | 67.6 | 41 | 0 | 0 | 0 | 111.1 | S60 D61 Y64 | D58-S60 PolarHBondContact O-N 2.82Å; D58-S60 VanDerWaalsContact OD1-CB 3.24Å; D58-S60 WeakPolarHBondContact OD1-CB 3.47Å; D58-S60 PolarHBondContact OD1-N 3.33Å; D58-S60 PolarHBondContact OD1-OG 2.81Å; D58-D61 PolarHBondContact O-N 2.78Å; D58-Y64 WeakPolarHBondContact O-CB 3.22Å; D58-Y64 VanDerWaalsContact O-CG 3.32Å | ||
| 59 | K | 85.3 | Confident | 92.1 | Very high | 142 Ų | 142 | 55 Ų | 55 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -0.9 | -176.4 | -65.4 | -166.2 | 170.7 | -155.8 | 0 | 115.3 | Y64 D66 | K59-Y64 HydrophobicContact CB-CD1 4.41Å; K59-Y64 HydrophobicContact CG-CD1 3.73Å; K59-Y64 HydrophobicContact CG-CE1 3.63Å; K59-D66 WeakPolarHBondContact CE-OD2 3.49Å; K59-D66 IonicContact NZ-OD2 3.14Å; K59-D66 PolarHBondContact NZ-OD2 3.41Å |
| 60 | S | 84.8 | Confident | 92.1 | Very high | 101 Ų | 101 | 55 Ų | 55 | 71% | 0.706 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -19.6 | 170.8 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | D58 | D58-S60 PolarHBondContact O-N 2.82Å; D58-S60 VanDerWaalsContact OD1-CB 3.24Å; D58-S60 WeakPolarHBondContact OD1-CB 3.47Å; D58-S60 PolarHBondContact OD1-N 3.33Å; D58-S60 PolarHBondContact OD1-OG 2.81Å |
| 61 | D | 88.1 | Confident | 92.1 | Very high | 39 Ų | 39 | 53.3 Ų | 53.3 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -83 | 122 | 176.7 | -179.3 | -11.9 | 0 | 0 | 0 | 110.4 | W54 T57 D58 L63 Y64 | W54-D61 PolarHBondContact NE1-OD2 3.43Å; T57-D61 WeakPolarHBondContact CB-OD2 2.92Å; T57-D61 HydrophobicContact CG2-CB 4.46Å; T57-D61 WeakPolarHBondContact CG2-OD2 3.5Å; T57-D61 VanDerWaalsContact OG1-CB 3.27Å; T57-D61 WeakPolarHBondContact OG1-CB 3.18Å; T57-D61 PolarHBondContact OG1-OD2 3.42Å; D58-D61 PolarHBondContact O-N 2.78Å; D61-L63 PolarHBondContact O-N 3.35Å; D61-L63 WeakPolarHBondContact OD1-CB 3.21Å; D61-L63 PolarHBondContact OD1-N 2.77Å; D61-Y64 VanDerWaalsContact O-CB 3.24Å; D61-Y64 WeakPolarHBondContact O-CB 3.47Å; D61-Y64 PolarHBondContact O-N 3.39Å |
| 62 | P | 86.7 | Confident | 92.1 | Very high | 133 Ų | 133 | 53.8 Ų | 53.8 | 86% | 0.864 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.7 | 178.4 | -24.7 | 35.4 | 0 | 0 | 0 | 115.2 | ||
| 63 | L | 87.1 | Confident | 91.9 | Very high | 106 Ų | 106 | 55.2 Ų | 55.2 | 56% | 0.555 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.4 | 175.3 | -59.2 | 176.8 | 0 | 0 | 0 | 113.1 | W54 D61 A65 | W54-L63 HydrophobicContact CB-CB 4.37Å; W54-L63 HydrophobicContact CG-CB 4.28Å; D61-L63 PolarHBondContact O-N 3.35Å; D61-L63 WeakPolarHBondContact OD1-CB 3.21Å; D61-L63 PolarHBondContact OD1-N 2.77Å; L63-A65 PolarHBondContact O-N 2.76Å; L63-A65 VanDerWaalsContact O-N 3.13Å |
| 64 | Y | 92.9 | Very high | 91.9 | Very high | 42 Ų | 42 | 55 Ų | 55 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 108.2 | -171.9 | 179.7 | -97.4 | 0 | 0 | 0 | 113.7 | W54 T57 D58 K59 D61 D66 | W54-Y64 CarbonylContact O-C 3.57Å; W54-Y64 VanDerWaalsContact O-CA 3.31Å; W54-Y64 WeakPolarHBondContact O-CA 3.17Å; T57-Y64 WeakPolarHBondContact O-CD2 3.36Å; T57-Y64 WeakPolarHBondContact O-CE2 3.06Å; D58-Y64 WeakPolarHBondContact O-CB 3.22Å; D58-Y64 VanDerWaalsContact O-CG 3.32Å; K59-Y64 HydrophobicContact CB-CD1 4.41Å; K59-Y64 HydrophobicContact CG-CD1 3.73Å; K59-Y64 HydrophobicContact CG-CE1 3.63Å; D61-Y64 VanDerWaalsContact O-CB 3.24Å; D61-Y64 WeakPolarHBondContact O-CB 3.47Å; D61-Y64 PolarHBondContact O-N 3.39Å; Y64-D66 HydrophobicContact CD1-CB 4.15Å; Y64-D66 HydrophobicContact CE1-CB 3.56Å; Y64-D66 PolarHBondContact O-N 2.84Å |
| 65 | A | 93.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | trans | -84.8 | 105.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y53 W54 S55 L63 | Y53-A65 HydrophobicContact CD1-CB 3.62Å; Y53-A65 HydrophobicContact CG-CB 4.09Å; W54-A65 PolarHBondContact O-N 3.47Å; S55-A65 WeakPolarHBondContact CB-O 3.4Å; S55-A65 PolarHBondContact OG-O 2.81Å; L63-A65 PolarHBondContact O-N 2.76Å; L63-A65 VanDerWaalsContact O-N 3.13Å | ||
| 66 | D | 93.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | trans | -84.2 | 178.3 | 177.3 | 94.1 | -8.8 | 0 | 0 | 0 | 113.4 | K59 Y64 K68 Q69 V70 | K59-D66 WeakPolarHBondContact CE-OD2 3.49Å; K59-D66 IonicContact NZ-OD2 3.14Å; K59-D66 PolarHBondContact NZ-OD2 3.41Å; Y64-D66 HydrophobicContact CD1-CB 4.15Å; Y64-D66 HydrophobicContact CE1-CB 3.56Å; Y64-D66 PolarHBondContact O-N 2.84Å; D66-K68 PolarHBondContact O-N 2.85Å; D66-K68 WeakPolarHBondContact OD1-CA 3.26Å; D66-K68 VanDerWaalsContact OD1-CB 3.26Å; D66-K68 WeakPolarHBondContact OD1-CB 3.38Å; D66-K68 PolarHBondContact OD1-N 3.42Å; D66-Q69 PolarHBondContact O-N 3.36Å; D66-Q69 PolarHBondContact OD1-N 2.82Å; D66-V70 PolarHBondContact O-N 2.8Å | ||
| 67 | Q | 94.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -29.2 | -179.8 | -66.8 | -72.9 | 75.1 | 0 | 0 | 113.6 | R9 Y71 Y102 Q113 E114 Q119 | R9-Q67 VanDerWaalsContact CZ-OE1 3.27Å; Q67-Y71 WeakPolarHBondContact O-CB 3.32Å; Q67-Y71 PolarHBondContact O-N 2.97Å; Q67-Y102 HydrophobicContact CG-CE1 4.49Å; Q67-Y102 PolarHBondContact NE2-O 2.82Å; Q67-Q113 PolarHBondContact NE2-O 2.76Å; Q67-E114 VanDerWaalsContact CB-O 3.32Å; Q67-E114 WeakPolarHBondContact CB-O 3.44Å; Q67-E114 PolarHBondContact NE2-O 3.36Å; Q67-Q119 PolarHBondContact O-NE2 3.41Å |
| 68 | K | 92.8 | Very high | 91.8 | Very high | 128 Ų | 128 | 53.4 Ų | 53.4 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.2 | -35.7 | -177.5 | -171.3 | -177.7 | -179.4 | -177.6 | 0 | 110.7 | D66 Y71 N72 | D66-K68 PolarHBondContact O-N 2.85Å; D66-K68 WeakPolarHBondContact OD1-CA 3.26Å; D66-K68 VanDerWaalsContact OD1-CB 3.26Å; D66-K68 WeakPolarHBondContact OD1-CB 3.38Å; D66-K68 PolarHBondContact OD1-N 3.42Å; K68-Y71 PolarHBondContact O-N 3.26Å; K68-N72 WeakPolarHBondContact O-CB 3.35Å; K68-N72 PolarHBondContact O-N 2.79Å; K68-N72 PolarHBondContact O-ND2 2.85Å; K68-N72 PolarHBondContact O-OD1 3.43Å |
| 69 | Q | 93.5 | Very high | 92.2 | Very high | 81 Ų | 81 | 49 Ų | 49 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -51.6 | 171.4 | -177.5 | 173.9 | -5.9 | 0 | 0 | 111.4 | Y53 D66 Y71 N72 D73 | Y53-Q69 HydrophobicContact CE1-CG 4.39Å; D66-Q69 PolarHBondContact O-N 3.36Å; D66-Q69 PolarHBondContact OD1-N 2.82Å; Q69-Y71 PolarHBondContact O-N 3.18Å; Q69-N72 PolarHBondContact O-N 3.38Å; Q69-D73 PolarHBondContact O-N 3.41Å |
| 70 | V | 95.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -34.8 | 178.2 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | Y53 D66 I74 T103 I116 | Y53-V70 HydrophobicContact CD1-CG2 3.97Å; Y53-V70 HydrophobicContact CD2-CG1 4.48Å; Y53-V70 HydrophobicContact CD2-CG2 3.86Å; Y53-V70 HydrophobicContact CE1-CG2 4.11Å; Y53-V70 HydrophobicContact CE2-CB 4.44Å; Y53-V70 HydrophobicContact CE2-CG1 4.09Å; Y53-V70 HydrophobicContact CE2-CG2 3.98Å; Y53-V70 HydrophobicContact CG-CG2 3.84Å; D66-V70 PolarHBondContact O-N 2.8Å; V70-I74 PolarHBondContact O-N 3.22Å; V70-T103 HydrophobicContact CG1-CG2 3.98Å; V70-I116 HydrophobicContact CG1-CD1 4.16Å |
| 71 | Y | 96.3 | Very high | 93 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -69.1 | -47.9 | 171.6 | 177.4 | -99.2 | 0 | 0 | 0 | 113.2 | Q67 K68 Q69 D73 I74 G75 N76 L79 Q119 L120 D123 | Q67-Y71 WeakPolarHBondContact O-CB 3.32Å; Q67-Y71 PolarHBondContact O-N 2.97Å; K68-Y71 PolarHBondContact O-N 3.26Å; Q69-Y71 PolarHBondContact O-N 3.18Å; Y71-D73 PolarHBondContact O-N 2.87Å; Y71-I74 PolarHBondContact O-N 3.13Å; Y71-G75 CarbonylContact O-C 3.57Å; Y71-G75 WeakPolarHBondContact O-CA 3.23Å; Y71-G75 PolarHBondContact O-N 3.38Å; Y71-N76 HydrophobicContact CE1-CB 4.36Å; Y71-N76 WeakPolarHBondContact O-CB 3.33Å; Y71-N76 PolarHBondContact O-N 3.14Å; Y71-L79 WeakPolarHBondContact OH-CD2 3.48Å; Y71-Q119 HydrophobicContact CD1-CB 4.1Å; Y71-Q119 HydrophobicContact CD2-CB 3.55Å; Y71-Q119 HydrophobicContact CE1-CB 4.45Å; Y71-Q119 HydrophobicContact CE2-CB 3.97Å; Y71-Q119 HydrophobicContact CG-CB 3.66Å; Y71-Q119 HydrophobicContact CG-CG 4.38Å; Y71-L120 HydrophobicContact CE2-CB 3.84Å; Y71-D123 HydrophobicContact CE1-CB 4.41Å; Y71-D123 WeakPolarHBondContact OH-CB 3.22Å; Y71-D123 PolarHBondContact OH-OD2 3.43Å |
| 72 | N | 94.8 | Very high | 93.2 | Very high | 75 Ų | 75 | 39.9 Ų | 39.9 | 40% | 0.401 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -60.3 | -32.1 | -178.8 | -71.8 | -15.9 | 0 | 0 | 0 | 113.3 | K68 Q69 N76 | K68-N72 WeakPolarHBondContact O-CB 3.35Å; K68-N72 PolarHBondContact O-N 2.79Å; K68-N72 PolarHBondContact O-ND2 2.85Å; K68-N72 PolarHBondContact O-OD1 3.43Å; Q69-N72 PolarHBondContact O-N 3.38Å; N72-N76 VanDerWaalsContact O-CB 3.3Å; N72-N76 WeakPolarHBondContact O-CB 3.33Å; N72-N76 PolarHBondContact O-ND2 2.83Å |
| 73 | D | 93.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 25% | 0.246 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -86.9 | -38.8 | -177.1 | -67.7 | -14.2 | 0 | 0 | 0 | 112.6 | Y51 Y53 Q69 Y71 | Y51-D73 HydrophobicContact CD1-CB 4.12Å; Y51-D73 HydrophobicContact CE1-CB 3.75Å; Y53-D73 VanDerWaalsContact CE1-OD2 3.29Å; Y53-D73 WeakPolarHBondContact CE1-OD2 3.09Å; Y53-D73 WeakPolarHBondContact OH-CB 3.39Å; Y53-D73 PolarHBondContact OH-OD2 2.86Å; Y53-D73 VanDerWaalsContact OH-OD2 3.06Å; Q69-D73 PolarHBondContact O-N 3.41Å; Y71-D73 PolarHBondContact O-N 2.87Å |
| 74 | I | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -114.4 | -51.1 | -173.3 | -62.8 | 173.5 | 0 | 0 | 0 | 112.8 | A7 Y51 Y53 V70 Y71 D77 A78 I90 T320 I322 | A7-I74 HydrophobicContact CB-CD1 3.51Å; Y51-I74 HydrophobicContact CD2-CD1 4.47Å; Y51-I74 HydrophobicContact CD2-CG1 4.37Å; Y51-I74 HydrophobicContact CE2-CG1 4.4Å; Y53-I74 HydrophobicContact CE2-CD1 3.8Å; V70-I74 PolarHBondContact O-N 3.22Å; Y71-I74 PolarHBondContact O-N 3.13Å; I74-D77 PolarHBondContact O-N 2.75Å; I74-A78 WeakPolarHBondContact O-CB 3.46Å; I74-A78 PolarHBondContact O-N 3.14Å; I74-I90 HydrophobicContact CG2-CD1 3.98Å; I74-I90 HydrophobicContact CG2-CG1 4.33Å; I74-T320 HydrophobicContact CD1-CG2 4.25Å; I74-T320 HydrophobicContact CG1-CG2 4.5Å; I74-T320 HydrophobicContact CG2-CG2 3.74Å; I74-I322 HydrophobicContact CD1-CD1 4.11Å; I74-I322 HydrophobicContact CD1-CG1 4.2Å; I74-I322 HydrophobicContact CG2-CD1 4.42Å |
| 75 | G | 93.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -67.9 | -37.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y71 L79 | Y71-G75 CarbonylContact O-C 3.57Å; Y71-G75 WeakPolarHBondContact O-CA 3.23Å; Y71-G75 PolarHBondContact O-N 3.38Å; G75-L79 VanDerWaalsContact O-CB 3.25Å; G75-L79 WeakPolarHBondContact O-CB 3.29Å; G75-L79 PolarHBondContact O-N 3.42Å |
| 76 | N | 93.5 | Very high | 93.3 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 27% | 0.267 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.3 | -45.8 | 172.7 | 168.4 | 37.6 | 0 | 0 | 0 | 112.1 | Y71 N72 L79 N80 R127 | Y71-N76 HydrophobicContact CE1-CB 4.36Å; Y71-N76 WeakPolarHBondContact O-CB 3.33Å; Y71-N76 PolarHBondContact O-N 3.14Å; N72-N76 VanDerWaalsContact O-CB 3.3Å; N72-N76 WeakPolarHBondContact O-CB 3.33Å; N72-N76 PolarHBondContact O-ND2 2.83Å; N76-L79 PolarHBondContact O-N 3.03Å; N76-N80 PolarHBondContact O-N 3.1Å; N76-N80 PolarHBondContact O-ND2 3.15Å; N76-N80 PolarHBondContact O-OD1 2.8Å; N76-R127 PolarHBondContact OD1-NH2 3.09Å |
| 77 | D | 92.4 | Very high | 93.3 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 20% | 0.203 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 175.5 | -179.1 | 72.3 | 0 | 0 | 0 | 111.4 | K5 I74 L79 N80 H81 | K5-D77 VanDerWaalsContact NZ-CG 3.26Å; K5-D77 IonicContact NZ-OD1 2.67Å; K5-D77 PolarHBondContact NZ-OD1 3Å; K5-D77 IonicContact NZ-OD2 3.87Å; K5-D77 PolarHBondContact NZ-OD2 2.69Å; I74-D77 PolarHBondContact O-N 2.75Å; D77-L79 VanDerWaalsContact C-N 3.33Å; D77-L79 PolarHBondContact O-N 2.88Å; D77-N80 WeakPolarHBondContact O-CB 3.35Å; D77-N80 PolarHBondContact O-N 3.02Å; D77-H81 PolarHBondContact O-N 2.94Å; D77-H81 PolarHBondContact O-ND1 3.1Å; D77-H81 IonicContact OD1-CE1 3.54Å; D77-H81 PolarHBondContact OD1-CE1 3Å; D77-H81 IonicContact OD1-ND1 2.74Å; D77-H81 IonicContact OD2-CE1 3.5Å; D77-H81 IonicContact OD2-ND1 3.45Å |
| 78 | A | 93.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -44.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I74 H81 A82 V88 I90 | I74-A78 WeakPolarHBondContact O-CB 3.46Å; I74-A78 PolarHBondContact O-N 3.14Å; A78-H81 PolarHBondContact O-N 2.95Å; A78-A82 WeakPolarHBondContact O-CB 3.38Å; A78-A82 PolarHBondContact O-N 2.86Å; A78-V88 HydrophobicContact CB-CG1 3.58Å; A78-I90 HydrophobicContact CB-CD1 3.73Å; A78-I90 HydrophobicContact CB-CG1 4.23Å |
| 79 | L | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -31.6 | 178.6 | -176.6 | 56.5 | 0 | 0 | 0 | 112.8 | Y71 G75 N76 D77 L83 L120 D123 L124 | Y71-L79 WeakPolarHBondContact OH-CD2 3.48Å; G75-L79 VanDerWaalsContact O-CB 3.25Å; G75-L79 WeakPolarHBondContact O-CB 3.29Å; G75-L79 PolarHBondContact O-N 3.42Å; N76-L79 PolarHBondContact O-N 3.03Å; D77-L79 VanDerWaalsContact C-N 3.33Å; D77-L79 PolarHBondContact O-N 2.88Å; L79-L83 HydrophobicContact CD1-CD1 4.1Å; L79-L83 HydrophobicContact CD1-CG 4.19Å; L79-L83 HydrophobicContact CG-CD1 4.05Å; L79-L83 WeakPolarHBondContact O-CB 3.28Å; L79-L83 VanDerWaalsContact O-CG 3.29Å; L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 3Å; L79-L120 HydrophobicContact CB-CG 4.41Å; L79-L120 HydrophobicContact CD1-CD2 4.37Å; L79-D123 HydrophobicContact CD2-CB 3.7Å; L79-L124 HydrophobicContact CD1-CB 3.94Å; L79-L124 HydrophobicContact CD1-CD1 3.77Å; L79-L124 HydrophobicContact CD1-CG 4.44Å |
| 80 | N | 93.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 24.6 Ų | 24.6 | 31% | 0.31 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.1 | -55.2 | 172.2 | -63.5 | -24.6 | 0 | 0 | 0 | 110.8 | N76 D77 A82 L83 E84 R127 | N76-N80 PolarHBondContact O-N 3.1Å; N76-N80 PolarHBondContact O-ND2 3.15Å; N76-N80 PolarHBondContact O-OD1 2.8Å; D77-N80 WeakPolarHBondContact O-CB 3.35Å; D77-N80 PolarHBondContact O-N 3.02Å; N80-A82 VanDerWaalsContact C-N 3.26Å; N80-A82 PolarHBondContact O-N 2.92Å; N80-L83 PolarHBondContact O-N 3.16Å; N80-E84 PolarHBondContact O-N 3.45Å; N80-R127 PolarHBondContact OD1-NH1 2.86Å |
| 81 | H | 93.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 24.7 Ų | 24.7 | 15% | 0.148 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.5 | -38.1 | 178.7 | -66.4 | 93.7 | 0 | 0 | 0 | 111.9 | D77 A78 E84 G85 Y86 V88 H318 | D77-H81 PolarHBondContact O-N 2.94Å; D77-H81 PolarHBondContact O-ND1 3.1Å; D77-H81 IonicContact OD1-CE1 3.54Å; D77-H81 PolarHBondContact OD1-CE1 3Å; D77-H81 IonicContact OD1-ND1 2.74Å; D77-H81 IonicContact OD2-CE1 3.5Å; D77-H81 IonicContact OD2-ND1 3.45Å; A78-H81 PolarHBondContact O-N 2.95Å; H81-E84 PolarHBondContact O-N 3.09Å; H81-G85 PolarHBondContact O-N 2.86Å; H81-Y86 HydrophobicContact CB-CD2 4.27Å; H81-Y86 WeakPolarHBondContact O-CB 3.49Å; H81-Y86 WeakPolarHBondContact O-CD2 3.37Å; H81-Y86 PolarHBondContact O-N 3.39Å; H81-V88 HydrophobicContact CB-CG2 3.9Å; H81-H318 HydrophobicContact CB-CB 4.46Å; H81-H318 AromaticContact CD2-CD2 3.75Å; H81-H318 AromaticContact CD2-CE1 3.18Å; H81-H318 PolarHBondContact CD2-CE1 2.66Å; H81-H318 AromaticContact CD2-CG 3.59Å; H81-H318 AromaticContact CD2-ND1 3.22Å; H81-H318 PolarHBondContact CD2-ND1 3.05Å; H81-H318 AromaticContact CD2-NE2 3.57Å; H81-H318 AromaticContact CE1-ND1 3.85Å; H81-H318 AromaticContact CG-CG 3.93Å; H81-H318 AromaticContact CG-ND1 3.86Å; H81-H318 AromaticContact NE2-CE1 3.21Å; H81-H318 PolarHBondContact NE2-CE1 3.19Å; H81-H318 AromaticContact NE2-ND1 3.18Å; H81-H318 PolarHBondContact NE2-ND1 3.44Å; H81-H318 VanDerWaalsContact NE2-ND1 3.18Å |
| 82 | A | 93.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A78 N80 G85 V88 S241 I243 | A78-A82 WeakPolarHBondContact O-CB 3.38Å; A78-A82 PolarHBondContact O-N 2.86Å; N80-A82 VanDerWaalsContact C-N 3.26Å; N80-A82 PolarHBondContact O-N 2.92Å; A82-G85 PolarHBondContact O-N 3.13Å; A82-V88 HydrophobicContact CB-CG2 4.01Å; A82-S241 WeakPolarHBondContact O-CB 3.08Å; A82-S241 PolarHBondContact O-OG 3.03Å; A82-I243 HydrophobicContact CB-CD1 3.52Å; A82-I243 HydrophobicContact CB-CG1 3.68Å |
| 83 | L | 91.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 21.1 Ų | 21.1 | 20% | 0.199 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73.2 | -25.4 | 177.2 | -71.4 | 168.6 | 0 | 0 | 0 | 113 | L79 N80 G85 L124 R127 L128 Q226 | L79-L83 HydrophobicContact CD1-CD1 4.1Å; L79-L83 HydrophobicContact CD1-CG 4.19Å; L79-L83 HydrophobicContact CG-CD1 4.05Å; L79-L83 WeakPolarHBondContact O-CB 3.28Å; L79-L83 VanDerWaalsContact O-CG 3.29Å; L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 3Å; N80-L83 PolarHBondContact O-N 3.16Å; L83-G85 VanDerWaalsContact C-N 3.26Å; L83-G85 PolarHBondContact O-N 2.85Å; L83-L124 HydrophobicContact CD2-CD1 4.15Å; L83-R127 HydrophobicContact CD1-CB 3.85Å; L83-R127 VanDerWaalsContact CD1-CD 3.43Å; L83-R127 HydrophobicContact CD1-CG 4.27Å; L83-L128 HydrophobicContact CD2-CD2 3.68Å; L83-Q226 PolarHBondContact O-NE2 3.27Å |
| 84 | E | 89.5 | Confident | 93.6 | Very high | 98 Ų | 98 | 19 Ų | 19 | 46% | 0.458 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -70.2 | -23.6 | 169.5 | -71.9 | 170.4 | -163.6 | 0 | 0 | 112.8 | N80 H81 Y86 K239 I354 | N80-E84 PolarHBondContact O-N 3.45Å; H81-E84 PolarHBondContact O-N 3.09Å; E84-Y86 HydrophobicContact CB-CD2 3.95Å; E84-Y86 HydrophobicContact CB-CE2 4.05Å; E84-Y86 WeakPolarHBondContact OE2-CE2 3.37Å; E84-K239 PolarHBondContact O-NZ 2.75Å; E84-I354 WeakPolarHBondContact O-CG2 3.46Å |
| 85 | G | 88.3 | Confident | 93.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.7 | 11.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | H81 A82 L83 N355 | H81-G85 PolarHBondContact O-N 2.86Å; A82-G85 PolarHBondContact O-N 3.13Å; L83-G85 VanDerWaalsContact C-N 3.26Å; L83-G85 PolarHBondContact O-N 2.85Å; G85-N355 WeakPolarHBondContact O-CB 3.36Å; G85-N355 PolarHBondContact O-N 2.84Å |
| 86 | Y | 92.2 | Very high | 92.9 | Very high | 51 Ų | 51 | 19.5 Ų | 19.5 | 20% | 0.2 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 151.1 | 174.4 | -63.5 | -83.3 | 0 | 0 | 0 | 112.1 | H81 E84 S241 H318 A352 V353 I354 | H81-Y86 HydrophobicContact CB-CD2 4.27Å; H81-Y86 WeakPolarHBondContact O-CB 3.49Å; H81-Y86 WeakPolarHBondContact O-CD2 3.37Å; H81-Y86 PolarHBondContact O-N 3.39Å; E84-Y86 HydrophobicContact CB-CD2 3.95Å; E84-Y86 HydrophobicContact CB-CE2 4.05Å; E84-Y86 WeakPolarHBondContact OE2-CE2 3.37Å; Y86-S241 WeakPolarHBondContact O-CB 3.39Å; Y86-H318 AromaticContact CD1-NE2 3.99Å; Y86-H318 AromaticContact CG-CD2 3.95Å; Y86-A352 HydrophobicContact CD1-CB 3.82Å; Y86-A352 HydrophobicContact CE1-CB 4.36Å; Y86-V353 WeakPolarHBondContact CD1-O 3.48Å; Y86-V353 VanDerWaalsContact CE1-C 3.48Å; Y86-I354 HydrophobicContact CD1-CG1 4.27Å; Y86-I354 HydrophobicContact CD2-CG1 4.32Å; Y86-I354 HydrophobicContact CE1-CG1 3.72Å; Y86-I354 HydrophobicContact CE2-CD1 4.32Å; Y86-I354 HydrophobicContact CE2-CG1 3.77Å; Y86-I354 VanDerWaalsContact CZ-CG1 3.43Å |
| 87 | N | 93.7 | Very high | 92.5 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 8% | 0.075 | 10% | 0.098 | C | C | . | . | trans | -68.1 | 148.5 | 160.3 | -71.9 | -23.5 | 0 | 0 | 0 | 111 | K242 N316 S317 H318 N355 | N87-K242 VanDerWaalsContact OD1-CB 3.26Å; N87-K242 WeakPolarHBondContact OD1-CB 3.36Å; N87-K242 PolarHBondContact OD1-N 3.15Å; N87-K242 VanDerWaalsContact OD1-N 3.1Å; N87-N316 WeakPolarHBondContact CB-O 3.35Å; N87-N316 PolarHBondContact ND2-O 3.43Å; N87-N316 VanDerWaalsContact ND2-O 3.13Å; N87-S317 CarbonylContact O-C 3.54Å; N87-S317 WeakPolarHBondContact O-CA 3.24Å; N87-H318 PolarHBondContact O-N 2.99Å; N87-N355 VanDerWaalsContact CG-ND2 3.29Å; N87-N355 PolarHBondContact OD1-ND2 2.82Å | ||
| 88 | V | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143.9 | -175.1 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | A78 H81 A82 K242 I243 S244 H318 | A78-V88 HydrophobicContact CB-CG1 3.58Å; H81-V88 HydrophobicContact CB-CG2 3.9Å; A82-V88 HydrophobicContact CB-CG2 4.01Å; V88-K242 PolarHBondContact N-O 2.9Å; V88-K242 VanDerWaalsContact O-O 3.07Å; V88-I243 HydrophobicContact CB-CG2 4.49Å; V88-I243 CarbonylContact O-C 3.54Å; V88-I243 WeakPolarHBondContact O-CA 3.42Å; V88-S244 PolarHBondContact O-N 3.25Å; V88-H318 CarbonylContact C-O 3.21Å; V88-H318 VanDerWaalsContact CA-O 3.3Å; V88-H318 WeakPolarHBondContact CA-O 3.19Å; V88-H318 WeakPolarHBondContact CG1-O 3.37Å; V88-H318 HydrophobicContact CG2-CB 4.43Å |
| 89 | C | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.2 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | S244 N312 S317 H318 T319 T320 | C89-S244 CarbonylContact C-O 3.54Å; C89-S244 VanDerWaalsContact CA-O 3.26Å; C89-S244 WeakPolarHBondContact CA-O 3.32Å; C89-S244 PolarHBondContact SG-O 2.89Å; C89-N312 HydrophobicContact CB-CB 3.84Å; C89-N312 VanDerWaalsContact CB-CG 3.44Å; C89-N312 WeakPolarHBondContact CB-OD1 3.45Å; C89-S317 PolarHBondContact N-OG 3.3Å; C89-H318 PolarHBondContact N-O 2.65Å; C89-T319 HydrophobicContact CB-CG2 4.19Å; C89-T319 WeakPolarHBondContact CB-OG1 3.29Å; C89-T319 CarbonylContact O-C 3.56Å; C89-T319 WeakPolarHBondContact O-CA 3.39Å; C89-T320 PolarHBondContact O-N 3.34Å |
| 90 | I | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.4 | 167.3 | -57 | 173.6 | 0 | 0 | 0 | 107.1 | I74 A78 M104 I116 S244 L245 V246 T320 I322 | I74-I90 HydrophobicContact CG2-CD1 3.98Å; I74-I90 HydrophobicContact CG2-CG1 4.33Å; A78-I90 HydrophobicContact CB-CD1 3.73Å; A78-I90 HydrophobicContact CB-CG1 4.23Å; I90-M104 HydrophobicContact CB-CE 4.29Å; I90-M104 HydrophobicContact CG2-CE 4.03Å; I90-M104 HydrophobicContact CG2-SD 4.08Å; I90-I116 HydrophobicContact CD1-CG2 3.75Å; I90-I116 HydrophobicContact CG2-CD1 4.26Å; I90-S244 PolarHBondContact N-O 2.89Å; I90-L245 HydrophobicContact CB-CD2 3.87Å; I90-L245 HydrophobicContact CD1-CD2 3.88Å; I90-L245 HydrophobicContact CG1-CD2 4.02Å; I90-V246 PolarHBondContact O-N 3.46Å; I90-T320 WeakPolarHBondContact CA-O 3.48Å; I90-I322 HydrophobicContact CG2-CD1 3.64Å; I90-I322 HydrophobicContact CG2-CG1 4.14Å |
| 91 | F | 95.3 | Very high | 92 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128 | 176.3 | 70.8 | -90.1 | 0 | 0 | 0 | 112.7 | V246 L248 L313 T319 T320 M321 I322 | F91-V246 WeakPolarHBondContact CA-O 3.34Å; F91-V246 HydrophobicContact CB-CB 3.78Å; F91-V246 HydrophobicContact CB-CG1 4.31Å; F91-V246 HydrophobicContact CB-CG2 4.41Å; F91-L248 HydrophobicContact CD2-CD1 3.91Å; F91-L313 HydrophobicContact CE1-CD2 4.02Å; F91-L313 HydrophobicContact CZ-CD2 4.3Å; F91-T319 HydrophobicContact CD1-CG2 3.96Å; F91-T319 HydrophobicContact CE1-CG2 3.65Å; F91-T320 PolarHBondContact N-O 2.82Å; F91-M321 HydrophobicContact CD2-CG 4.19Å; F91-M321 HydrophobicContact CE1-CB 3.92Å; F91-M321 HydrophobicContact CE1-CG 4.44Å; F91-M321 HydrophobicContact CE2-CB 3.9Å; F91-M321 HydrophobicContact CE2-CG 3.5Å; F91-M321 HydrophobicContact CE2-SD 3.92Å; F91-M321 HydrophobicContact CZ-CB 3.55Å; F91-M321 HydrophobicContact CZ-CG 3.66Å; F91-M321 HydrophobicContact CZ-SD 4.01Å; F91-I322 PolarHBondContact O-N 2.93Å |
| 92 | A | 96 | Very high | 92 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 133.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K100 M104 V246 L248 I322 | A92-K100 HydrophobicContact CB-CB 3.83Å; A92-K100 HydrophobicContact CB-CG 4.18Å; A92-M104 HydrophobicContact CB-CG 3.62Å; A92-M104 HydrophobicContact CB-SD 3.95Å; A92-V246 PolarHBondContact N-O 3.32Å; A92-L248 VanDerWaalsContact O-CB 3.29Å; A92-L248 WeakPolarHBondContact O-CB 3.36Å; A92-L248 WeakPolarHBondContact O-CD1 3.4Å; A92-L248 VanDerWaalsContact O-CG 3.31Å; A92-L248 WeakPolarHBondContact O-CG 3.33Å; A92-L248 PolarHBondContact O-N 2.94Å; A92-I322 CarbonylContact C-O 3.59Å; A92-I322 WeakPolarHBondContact CA-O 3.42Å |
| 93 | Y | 95 | Very high | 92.1 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 4% | 0.043 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 160.2 | -176.3 | 179.4 | -93 | 0 | 0 | 0 | 111.8 | L248 S251 L274 M321 I322 A324 T338 Y341 | Y93-L248 HydrophobicContact CD2-CD1 3.9Å; Y93-S251 WeakPolarHBondContact OH-CB 3.26Å; Y93-L274 HydrophobicContact CD2-CD2 4.48Å; Y93-L274 HydrophobicContact CE2-CD2 4.23Å; Y93-M321 HydrophobicContact CD1-CE 3.41Å; Y93-M321 VanDerWaalsContact CD1-CE 3.41Å; Y93-M321 HydrophobicContact CE1-CE 4.34Å; Y93-M321 HydrophobicContact CG-CE 3.7Å; Y93-I322 PolarHBondContact N-O 3.43Å; Y93-A324 PolarHBondContact O-N 2.63Å; Y93-T338 HydrophobicContact CD1-CG2 4Å; Y93-T338 HydrophobicContact CE1-CG2 4.16Å; Y93-Y341 AromaticContact CD1-CD1 3.94Å; Y93-Y341 HydrophobicContact CD1-CD1 3.94Å; Y93-Y341 HydrophobicContact CD1-CE1 4.32Å; Y93-Y341 HydrophobicContact CD1-CG 4.28Å; Y93-Y341 HydrophobicContact CD2-CE1 4.09Å; Y93-Y341 AromaticContact CE1-CD1 3.69Å; Y93-Y341 HydrophobicContact CE1-CD1 3.69Å; Y93-Y341 HydrophobicContact CE1-CD2 4.02Å; Y93-Y341 HydrophobicContact CE1-CE1 4.13Å; Y93-Y341 HydrophobicContact CE1-CE2 4.47Å; Y93-Y341 AromaticContact CE1-CG 3.59Å; Y93-Y341 HydrophobicContact CE1-CG 3.59Å; Y93-Y341 HydrophobicContact CE2-CD1 4.26Å; Y93-Y341 HydrophobicContact CE2-CD2 4.43Å; Y93-Y341 AromaticContact CE2-CE1 3.85Å; Y93-Y341 HydrophobicContact CE2-CE1 3.85Å; Y93-Y341 HydrophobicContact CE2-CE2 4.07Å; Y93-Y341 HydrophobicContact CE2-CG 4.5Å; Y93-Y341 AromaticContact CE2-CZ 3.74Å; Y93-Y341 HydrophobicContact CG-CD1 4.38Å; Y93-Y341 HydrophobicContact CG-CE1 4.33Å; Y93-Y341 AromaticContact CZ-CD1 3.86Å; Y93-Y341 AromaticContact CZ-CD2 3.68Å; Y93-Y341 AromaticContact CZ-CE1 3.89Å; Y93-Y341 AromaticContact CZ-CE2 3.75Å; Y93-Y341 AromaticContact CZ-CG 3.72Å; Y93-Y341 AromaticContact CZ-CZ 3.83Å; Y93-Y341 WeakPolarHBondContact OH-CD2 3.29Å; Y93-Y341 WeakPolarHBondContact OH-CE2 3.43Å |
| 94 | G | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 124.8 | -178.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | K100 S251 | G94-K100 PolarHBondContact O-NZ 2.73Å; G94-S251 PolarHBondContact O-N 3.31Å; G94-S251 PolarHBondContact O-OG 2.94Å |
| 95 | Q | 89.1 | Confident | 92.4 | Very high | 7 Ų | 7 | 12.8 Ų | 12.8 | 3% | 0.033 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -64.3 | 164.4 | -176.9 | 67.2 | 177.7 | 120.6 | 0 | 0 | 113.9 | G97 S98 K100 S251 E252 N331 E334 | Q95-G97 PolarHBondContact O-N 2.91Å; Q95-S98 WeakPolarHBondContact O-CB 3.37Å; Q95-S98 PolarHBondContact O-N 2.78Å; Q95-S98 PolarHBondContact O-OG 2.86Å; Q95-S98 VanDerWaalsContact O-OG 3.07Å; Q95-K100 PolarHBondContact O-NZ 2.75Å; Q95-S251 PolarHBondContact N-OG 2.92Å; Q95-S251 VanDerWaalsContact N-OG 3.13Å; Q95-E252 WeakPolarHBondContact CA-OE2 3.44Å; Q95-E252 HydrophobicContact CB-CB 4.45Å; Q95-N331 PolarHBondContact NE2-OD1 3.25Å; Q95-E334 HydrophobicContact CB-CB 4.34Å |
| 96 | T | 85.1 | Confident | 92.5 | Very high | 6 Ų | 6 | 13.5 Ų | 13.5 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 132.3 | 167.3 | -76.8 | 0 | 0 | 0 | 0 | 110.5 | S98 M209 N210 S214 G250 E252 | T96-S98 VanDerWaalsContact C-N 3.28Å; T96-S98 PolarHBondContact O-N 2.9Å; T96-M209 HydrophobicContact CG2-CG 4.49Å; T96-N210 HydrophobicContact CG2-CB 3.73Å; T96-S214 WeakPolarHBondContact OG1-CB 3.37Å; T96-G250 WeakPolarHBondContact OG1-CA 3.44Å; T96-E252 WeakPolarHBondContact CB-OE1 3.2Å; T96-E252 WeakPolarHBondContact CB-OE2 3.27Å; T96-E252 PolarHBondContact N-OE2 3.4Å; T96-E252 VanDerWaalsContact OG1-CD 3.3Å; T96-E252 PolarHBondContact OG1-OE1 2.91Å; T96-E252 PolarHBondContact OG1-OE2 2.92Å |
| 97 | G | 84.3 | Confident | 92.1 | Very high | 30 Ų | 30 | 15.8 Ų | 15.8 | 31% | 0.309 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 12.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R11 Q95 G99 N210 | R11-G97 PolarHBondContact NE-O 3.27Å; R11-G97 PolarHBondContact NH2-O 3.38Å; R11-G97 VanDerWaalsContact NH2-O 3.15Å; Q95-G97 PolarHBondContact O-N 2.91Å; G97-G99 VanDerWaalsContact C-N 3.35Å; G97-N210 WeakPolarHBondContact CA-ND2 3.49Å |
| 98 | S | 90.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -77 | -17.9 | 174.5 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | R11 Q95 T96 A324 | R11-S98 WeakPolarHBondContact CD-O 3.4Å; R11-S98 WeakPolarHBondContact CG-O 3.33Å; Q95-S98 WeakPolarHBondContact O-CB 3.37Å; Q95-S98 PolarHBondContact O-N 2.78Å; Q95-S98 PolarHBondContact O-OG 2.86Å; Q95-S98 VanDerWaalsContact O-OG 3.07Å; T96-S98 VanDerWaalsContact C-N 3.28Å; T96-S98 PolarHBondContact O-N 2.9Å; S98-A324 WeakPolarHBondContact CB-O 3.35Å; S98-A324 VanDerWaalsContact OG-CB 3.3Å; S98-A324 WeakPolarHBondContact OG-CB 3.29Å; S98-A324 PolarHBondContact OG-O 2.82Å |
| 99 | G | 91.2 | Very high | 90.1 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 121.9 | 11.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G97 Y102 T103 | G97-G99 VanDerWaalsContact C-N 3.35Å; G99-Y102 PolarHBondContact O-N 3.16Å; G99-T103 PolarHBondContact O-N 2.86Å; G99-T103 PolarHBondContact O-OG1 2.97Å |
| 100 | K | 93.2 | Very high | 89.4 | Confident | 11 Ų | 11 | 27.5 Ų | 27.5 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.4 | -67.2 | 177.6 | -59.5 | -167.8 | -62.4 | -80.4 | 0 | 113 | A92 G94 Q95 Y102 T103 M104 D247 L248 A249 A324 | A92-K100 HydrophobicContact CB-CB 3.83Å; A92-K100 HydrophobicContact CB-CG 4.18Å; G94-K100 PolarHBondContact O-NZ 2.73Å; Q95-K100 PolarHBondContact O-NZ 2.75Å; K100-Y102 PolarHBondContact O-N 2.77Å; K100-T103 WeakPolarHBondContact O-CA 3.43Å; K100-T103 PolarHBondContact O-N 2.79Å; K100-M104 PolarHBondContact O-N 2.65Å; K100-D247 WeakPolarHBondContact CB-OD1 3.26Å; K100-L248 WeakPolarHBondContact CE-O 3.48Å; K100-A249 WeakPolarHBondContact CE-O 3.45Å; K100-A249 PolarHBondContact NZ-O 2.94Å; K100-A324 HydrophobicContact CG-CB 4.15Å |
| 101 | S | 90.8 | Very high | 88.4 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 22% | 0.217 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -29.6 | -179.1 | -38.3 | 0 | 0 | 0 | 0 | 112.7 | M105 G106 S213 D247 | S101-M105 WeakPolarHBondContact O-CA 3.38Å; S101-M105 WeakPolarHBondContact O-CB 3.35Å; S101-M105 PolarHBondContact O-N 2.78Å; S101-G106 PolarHBondContact O-N 3.43Å; S101-S213 PolarHBondContact OG-OG 3.36Å; S101-S213 VanDerWaalsContact OG-OG 3.05Å; S101-D247 VanDerWaalsContact CA-OD1 3.29Å; S101-D247 WeakPolarHBondContact CA-OD1 3.36Å; S101-D247 WeakPolarHBondContact CB-OD2 3.29Å; S101-D247 PolarHBondContact N-OD1 2.85Å; S101-D247 VanDerWaalsContact OG-CG 3.27Å; S101-D247 PolarHBondContact OG-OD1 3.31Å; S101-D247 VanDerWaalsContact OG-OD1 3.08Å; S101-D247 PolarHBondContact OG-OD2 2.94Å |
| 102 | Y | 93.1 | Very high | 87.7 | Confident | 59 Ų | 59 | 38.5 Ų | 38.5 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -32.6 | 171.9 | 173.7 | -103.6 | 0 | 0 | 0 | 112.6 | Q67 G99 K100 G106 K107 | Q67-Y102 HydrophobicContact CG-CE1 4.49Å; Q67-Y102 PolarHBondContact NE2-O 2.82Å; G99-Y102 PolarHBondContact O-N 3.16Å; K100-Y102 PolarHBondContact O-N 2.77Å; Y102-G106 WeakPolarHBondContact O-CA 3.2Å; Y102-G106 PolarHBondContact O-N 3.42Å; Y102-G106 VanDerWaalsContact O-N 3.11Å; Y102-K107 HydrophobicContact CD2-CG 4.39Å; Y102-K107 HydrophobicContact CE2-CG 4.27Å |
| 103 | T | 95.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78.8 | -38.4 | 175.9 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | R9 V70 G99 K100 G115 I116 I322 | R9-T103 PolarHBondContact NH1-OG1 3.26Å; V70-T103 HydrophobicContact CG1-CG2 3.98Å; G99-T103 PolarHBondContact O-N 2.86Å; G99-T103 PolarHBondContact O-OG1 2.97Å; K100-T103 WeakPolarHBondContact O-CA 3.43Å; K100-T103 PolarHBondContact O-N 2.79Å; T103-G115 WeakPolarHBondContact O-CA 3.26Å; T103-I116 HydrophobicContact CG2-CD1 4Å; T103-I116 WeakPolarHBondContact O-CG1 3.38Å; T103-I116 PolarHBondContact O-N 3.21Å; T103-I322 HydrophobicContact CG2-CD1 4.18Å; T103-I322 HydrophobicContact CG2-CG2 4.15Å |
| 104 | M | 94.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.9 | -50.3 | 179.3 | -61.4 | -51.5 | -71.7 | 0 | 0 | 112.9 | I90 A92 K100 G115 I116 I117 L245 D247 | I90-M104 HydrophobicContact CB-CE 4.29Å; I90-M104 HydrophobicContact CG2-CE 4.03Å; I90-M104 HydrophobicContact CG2-SD 4.08Å; A92-M104 HydrophobicContact CB-CG 3.62Å; A92-M104 HydrophobicContact CB-SD 3.95Å; K100-M104 PolarHBondContact O-N 2.65Å; M104-G115 CarbonylContact O-C 3.55Å; M104-I116 PolarHBondContact O-N 3.39Å; M104-I116 VanDerWaalsContact O-N 3.09Å; M104-I116 HydrophobicContact SD-CD1 4.41Å; M104-I117 HydrophobicContact CB-CD1 3.98Å; M104-I117 HydrophobicContact CE-CG1 4.41Å; M104-I117 WeakPolarHBondContact O-CB 3.29Å; M104-I117 WeakPolarHBondContact O-CG1 3.48Å; M104-I117 PolarHBondContact O-N 2.66Å; M104-L245 HydrophobicContact CE-CB 3.93Å; M104-D247 HydrophobicContact CB-CB 4.4Å; M104-D247 HydrophobicContact CG-CB 4.26Å |
| 105 | M | 91.8 | Very high | 87.2 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 14% | 0.138 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -36.2 | -174.3 | -164.4 | 62 | 69.3 | 0 | 0 | 113.3 | S101 G115 I117 I195 | S101-M105 WeakPolarHBondContact O-CA 3.38Å; S101-M105 WeakPolarHBondContact O-CB 3.35Å; S101-M105 PolarHBondContact O-N 2.78Å; M105-G115 VanDerWaalsContact C-N 3.32Å; M105-G115 PolarHBondContact O-N 2.83Å; M105-I117 HydrophobicContact CE-CD1 3.83Å; M105-I195 HydrophobicContact CE-CG2 3.77Å; M105-I195 HydrophobicContact SD-CG2 3.49Å; M105-I195 WeakPolarHBondContact SD-CG2 3.4Å |
| 106 | G | 91.1 | Very high | 87.6 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | 83 | -149.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S101 Y102 Q113 | S101-G106 PolarHBondContact O-N 3.43Å; Y102-G106 WeakPolarHBondContact O-CA 3.2Å; Y102-G106 PolarHBondContact O-N 3.42Å; Y102-G106 VanDerWaalsContact O-N 3.11Å; G106-Q113 CarbonylContact C-O 3.53Å; G106-Q113 WeakPolarHBondContact CA-O 3.41Å |
| 107 | K | 84.6 | Confident | 88 | Confident | 99 Ų | 99 | 41.4 Ų | 41.4 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | trans | -105.3 | 118.2 | 169.1 | -66.2 | 174 | -175.4 | 157.5 | 0 | 108.9 | Y102 V110 Q113 | Y102-K107 HydrophobicContact CD2-CG 4.39Å; Y102-K107 HydrophobicContact CE2-CG 4.27Å; K107-V110 HydrophobicContact CB-CB 4.17Å; K107-V110 HydrophobicContact CB-CG2 4.17Å; K107-Q113 HydrophobicContact CB-CB 3.95Å; K107-Q113 HydrophobicContact CD-CB 4.12Å; K107-Q113 HydrophobicContact CD-CG 4.28Å; K107-Q113 HydrophobicContact CG-CB 4.33Å; K107-Q113 PolarHBondContact N-O 3.44Å | ||
| 108 | P | 73.7 | Confident | 88.4 | Confident | 104 Ų | 104 | 40.3 Ų | 40.3 | 68% | 0.675 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 143.5 | 176.3 | 27.5 | -34.2 | 0 | 0 | 0 | 110.4 | V110 | P108-V110 VanDerWaalsContact C-N 3.25Å; P108-V110 PolarHBondContact O-N 2.87Å |
| 109 | G | 71.5 | Confident | 88.6 | Confident | 88 Ų | 88 | 41.6 Ų | 41.6 | 91% | 0.907 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 9.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 110 | V | 80.8 | Confident | 88.8 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 42% | 0.418 | 25% | 0.245 | S | C | . | . | trans | -119 | 108.4 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | K107 P108 G112 Q113 | K107-V110 HydrophobicContact CB-CB 4.17Å; K107-V110 HydrophobicContact CB-CG2 4.17Å; P108-V110 VanDerWaalsContact C-N 3.25Å; P108-V110 PolarHBondContact O-N 2.87Å; V110-G112 PolarHBondContact O-N 3.06Å; V110-Q113 HydrophobicContact CB-CB 4Å; V110-Q113 HydrophobicContact CB-CG 4.22Å; V110-Q113 HydrophobicContact CG1-CB 3.92Å; V110-Q113 HydrophobicContact CG1-CG 3.58Å; V110-Q113 WeakPolarHBondContact O-CB 3.43Å; V110-Q113 PolarHBondContact O-N 2.7Å | ||
| 111 | E | 76.2 | Confident | 88.8 | Confident | 189 Ų | 189 | 40.4 Ų | 40.4 | 88% | 0.883 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.3 | -179.6 | -63.7 | -169.1 | 153.5 | 0 | 0 | 112.1 | Q113 | E111-Q113 PolarHBondContact O-N 3.43Š|
| 112 | G | 81 | Confident | 88.9 | Confident | 45 Ų | 45 | 43.3 Ų | 43.3 | 46% | 0.464 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 12.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V110 | V110-G112 PolarHBondContact O-N 3.06Š|
| 113 | Q | 88.8 | Confident | 89 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | trans | -116.1 | 0.8 | 170.9 | -64.8 | -74.4 | -86.4 | 0 | 0 | 113.3 | Q67 G106 K107 V110 E111 | Q67-Q113 PolarHBondContact NE2-O 2.76Å; G106-Q113 CarbonylContact C-O 3.53Å; G106-Q113 WeakPolarHBondContact CA-O 3.41Å; K107-Q113 HydrophobicContact CB-CB 3.95Å; K107-Q113 HydrophobicContact CD-CB 4.12Å; K107-Q113 HydrophobicContact CD-CG 4.28Å; K107-Q113 HydrophobicContact CG-CB 4.33Å; K107-Q113 PolarHBondContact N-O 3.44Å; V110-Q113 HydrophobicContact CB-CB 4Å; V110-Q113 HydrophobicContact CB-CG 4.22Å; V110-Q113 HydrophobicContact CG1-CB 3.92Å; V110-Q113 HydrophobicContact CG1-CG 3.58Å; V110-Q113 WeakPolarHBondContact O-CB 3.43Å; V110-Q113 PolarHBondContact O-N 2.7Å; E111-Q113 PolarHBondContact O-N 3.43Å | ||
| 114 | E | 91 | Very high | 88.9 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 19% | 0.192 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 143.4 | 177.4 | -58.2 | 173.5 | 126.2 | 0 | 0 | 112 | Q67 P118 Q119 R122 | Q67-E114 VanDerWaalsContact CB-O 3.32Å; Q67-E114 WeakPolarHBondContact CB-O 3.44Å; Q67-E114 PolarHBondContact NE2-O 3.36Å; E114-P118 HydrophobicContact CB-CB 4.5Å; E114-P118 HydrophobicContact CB-CG 3.91Å; E114-Q119 HydrophobicContact CB-CG 4.24Å; E114-Q119 PolarHBondContact O-NE2 2.83Å; E114-R122 IonicContact OE1-CZ 2.69Å; E114-R122 IonicContact OE1-NH1 2.71Å; E114-R122 PolarHBondContact OE1-NH1 2.75Å; E114-R122 IonicContact OE1-NH2 3.29Å; E114-R122 PolarHBondContact OE1-NH2 2.82Å; E114-R122 IonicContact OE2-CZ 3.68Å; E114-R122 IonicContact OE2-NH1 3.43Å; E114-R122 PolarHBondContact OE2-NH1 2.74Å; E114-R122 IonicContact OE2-NH2 2.72Å |
| 115 | G | 94 | Very high | 88.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | trans | -82.2 | -170.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T103 M104 M105 Q119 | T103-G115 WeakPolarHBondContact O-CA 3.26Å; M104-G115 CarbonylContact O-C 3.55Å; M105-G115 VanDerWaalsContact C-N 3.32Å; M105-G115 PolarHBondContact O-N 2.83Å; G115-Q119 WeakPolarHBondContact O-CB 3.32Å; G115-Q119 WeakPolarHBondContact O-CG 3.07Å; G115-Q119 PolarHBondContact O-N 3.22Å; G115-Q119 PolarHBondContact O-NE2 3.26Å | ||
| 116 | I | 95.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.3 | -67.6 | 171.5 | 0 | 0 | 0 | 111.6 | V70 I90 T103 M104 L120 I322 | V70-I116 HydrophobicContact CG1-CD1 4.16Å; I90-I116 HydrophobicContact CD1-CG2 3.75Å; I90-I116 HydrophobicContact CG2-CD1 4.26Å; T103-I116 HydrophobicContact CG2-CD1 4Å; T103-I116 WeakPolarHBondContact O-CG1 3.38Å; T103-I116 PolarHBondContact O-N 3.21Å; M104-I116 PolarHBondContact O-N 3.39Å; M104-I116 VanDerWaalsContact O-N 3.09Å; M104-I116 HydrophobicContact SD-CD1 4.41Å; I116-L120 WeakPolarHBondContact O-CB 3.14Å; I116-L120 PolarHBondContact O-N 3.43Å; I116-I322 HydrophobicContact CD1-CD1 3.34Å |
| 117 | I | 94.6 | Very high | 88.7 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -61.6 | -176.2 | -62.6 | 164.7 | 0 | 0 | 0 | 111.4 | M104 M105 Q119 L120 C121 I195 F220 L245 | M104-I117 HydrophobicContact CB-CD1 3.98Å; M104-I117 HydrophobicContact CE-CG1 4.41Å; M104-I117 WeakPolarHBondContact O-CB 3.29Å; M104-I117 WeakPolarHBondContact O-CG1 3.48Å; M104-I117 PolarHBondContact O-N 2.66Å; M105-I117 HydrophobicContact CE-CD1 3.83Å; I117-Q119 PolarHBondContact O-N 2.91Å; I117-L120 PolarHBondContact O-N 2.66Å; I117-C121 PolarHBondContact O-N 3.33Å; I117-C121 PolarHBondContact O-SG 2.91Å; I117-I195 HydrophobicContact CG2-CD1 3.66Å; I117-I195 HydrophobicContact CG2-CG1 4.49Å; I117-F220 HydrophobicContact CD1-CB 4.48Å; I117-F220 HydrophobicContact CG2-CD1 3.83Å; I117-F220 HydrophobicContact CG2-CE1 3.97Å; I117-F220 HydrophobicContact CG2-CG 4.35Å; I117-L245 HydrophobicContact CB-CD1 4.26Å; I117-L245 HydrophobicContact CD1-CB 4.3Å; I117-L245 HydrophobicContact CG1-CB 3.86Å; I117-L245 HydrophobicContact CG1-CD1 3.74Å; I117-L245 HydrophobicContact CG1-CG 4.41Å; I117-L245 HydrophobicContact CG2-CD1 4.35Å |
| 118 | P | 93.3 | Very high | 88.7 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -37.7 | -179.7 | 23.4 | -34.8 | 0 | 0 | 0 | 113.3 | E114 C121 R122 F188 | E114-P118 HydrophobicContact CB-CB 4.5Å; E114-P118 HydrophobicContact CB-CG 3.91Å; P118-C121 PolarHBondContact O-N 3.42Å; P118-R122 WeakPolarHBondContact O-CB 3.18Å; P118-R122 PolarHBondContact O-N 2.77Å; P118-F188 HydrophobicContact CB-CE2 4.36Å; P118-F188 VanDerWaalsContact O-CE2 3.3Å; P118-F188 WeakPolarHBondContact O-CE2 3.25Å |
| 119 | Q | 94.2 | Very high | 89.1 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 176.5 | -73 | -176.6 | 88.4 | 0 | 0 | 112 | Q67 Y71 E114 G115 I117 R122 D123 | Q67-Q119 PolarHBondContact O-NE2 3.41Å; Y71-Q119 HydrophobicContact CD1-CB 4.1Å; Y71-Q119 HydrophobicContact CD2-CB 3.55Å; Y71-Q119 HydrophobicContact CE1-CB 4.45Å; Y71-Q119 HydrophobicContact CE2-CB 3.97Å; Y71-Q119 HydrophobicContact CG-CB 3.66Å; Y71-Q119 HydrophobicContact CG-CG 4.38Å; E114-Q119 HydrophobicContact CB-CG 4.24Å; E114-Q119 PolarHBondContact O-NE2 2.83Å; G115-Q119 WeakPolarHBondContact O-CB 3.32Å; G115-Q119 WeakPolarHBondContact O-CG 3.07Å; G115-Q119 PolarHBondContact O-N 3.22Å; G115-Q119 PolarHBondContact O-NE2 3.26Å; I117-Q119 PolarHBondContact O-N 2.91Å; Q119-R122 PolarHBondContact O-N 3.17Å; Q119-D123 WeakPolarHBondContact O-CB 3.05Å; Q119-D123 PolarHBondContact O-N 3.45Å |
| 120 | L | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 177.3 | -170.2 | 153 | 0 | 0 | 0 | 111.3 | Y71 L79 I116 I117 R122 D123 L124 I222 I243 L245 | Y71-L120 HydrophobicContact CE2-CB 3.84Å; L79-L120 HydrophobicContact CB-CG 4.41Å; L79-L120 HydrophobicContact CD1-CD2 4.37Å; I116-L120 WeakPolarHBondContact O-CB 3.14Å; I116-L120 PolarHBondContact O-N 3.43Å; I117-L120 PolarHBondContact O-N 2.66Å; L120-R122 VanDerWaalsContact C-N 3.33Å; L120-R122 PolarHBondContact O-N 2.94Å; L120-D123 PolarHBondContact O-N 3.4Å; L120-L124 WeakPolarHBondContact O-CB 3.32Å; L120-L124 PolarHBondContact O-N 2.92Å; L120-I222 HydrophobicContact CD2-CD1 3.71Å; L120-I243 HydrophobicContact CD1-CG2 4.28Å; L120-I243 HydrophobicContact CD2-CD1 3.99Å; L120-I243 HydrophobicContact CD2-CG2 4.44Å; L120-L245 HydrophobicContact CD1-CD1 4.35Å; L120-L245 HydrophobicContact CD1-CD2 4.38Å |
| 121 | C | 94 | Very high | 88 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 179.4 | -61.6 | 0 | 0 | 0 | 0 | 112 | I117 P118 F125 F188 I191 I222 | I117-C121 PolarHBondContact O-N 3.33Å; I117-C121 PolarHBondContact O-SG 2.91Å; P118-C121 PolarHBondContact O-N 3.42Å; C121-F125 PolarHBondContact O-N 2.88Å; C121-F188 HydrophobicContact CB-CD2 3.95Å; C121-F188 HydrophobicContact CB-CE2 4.22Å; C121-I191 HydrophobicContact CB-CD1 4.22Å; C121-I191 HydrophobicContact CB-CG2 3.82Å; C121-I222 VanDerWaalsContact SG-CD1 3.6Å |
| 122 | R | 92.9 | Very high | 87.2 | Confident | 92 Ų | 92 | 46.9 Ų | 46.9 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.2 | -44.4 | 175.5 | -173.3 | -179.1 | -64.2 | 139.6 | 2.2 | 112.2 | E114 P118 Q119 L120 K126 F188 | E114-R122 IonicContact OE1-CZ 2.69Å; E114-R122 IonicContact OE1-NH1 2.71Å; E114-R122 PolarHBondContact OE1-NH1 2.75Å; E114-R122 IonicContact OE1-NH2 3.29Å; E114-R122 PolarHBondContact OE1-NH2 2.82Å; E114-R122 IonicContact OE2-CZ 3.68Å; E114-R122 IonicContact OE2-NH1 3.43Å; E114-R122 PolarHBondContact OE2-NH1 2.74Å; E114-R122 IonicContact OE2-NH2 2.72Å; P118-R122 WeakPolarHBondContact O-CB 3.18Å; P118-R122 PolarHBondContact O-N 2.77Å; Q119-R122 PolarHBondContact O-N 3.17Å; L120-R122 VanDerWaalsContact C-N 3.33Å; L120-R122 PolarHBondContact O-N 2.94Å; R122-K126 VanDerWaalsContact O-CB 3.25Å; R122-K126 WeakPolarHBondContact O-CB 3.36Å; R122-K126 PolarHBondContact O-N 3.45Å; R122-F188 HydrophobicContact CB-CD2 3.7Å; R122-F188 HydrophobicContact CB-CE2 3.91Å; R122-F188 HydrophobicContact CB-CG 4.08Å; R122-F188 HydrophobicContact CB-CZ 4.47Å; R122-F188 HydrophobicContact CG-CD2 4.48Å; R122-F188 HydrophobicContact CG-CG 4.39Å; R122-F188 VanDerWaalsContact NH2-CZ 3.32Å |
| 123 | D | 93.7 | Very high | 85.7 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.5 | -30 | -179.7 | -163.7 | 16.2 | 0 | 0 | 0 | 111.8 | Y71 L79 Q119 L120 K126 R127 | Y71-D123 HydrophobicContact CE1-CB 4.41Å; Y71-D123 WeakPolarHBondContact OH-CB 3.22Å; Y71-D123 PolarHBondContact OH-OD2 3.43Å; L79-D123 HydrophobicContact CD2-CB 3.7Å; Q119-D123 WeakPolarHBondContact O-CB 3.05Å; Q119-D123 PolarHBondContact O-N 3.45Å; L120-D123 PolarHBondContact O-N 3.4Å; D123-K126 PolarHBondContact O-N 3.01Å; D123-R127 VanDerWaalsContact CG-NE 3.25Å; D123-R127 WeakPolarHBondContact O-CB 3.47Å; D123-R127 WeakPolarHBondContact O-CD 3.22Å; D123-R127 WeakPolarHBondContact O-CG 3.46Å; D123-R127 PolarHBondContact O-N 3.19Å; D123-R127 IonicContact OD1-CZ 2.69Å; D123-R127 IonicContact OD1-NE 3.65Å; D123-R127 PolarHBondContact OD1-NE 3.08Å; D123-R127 IonicContact OD1-NH2 3.02Å; D123-R127 IonicContact OD2-CZ 2.75Å; D123-R127 IonicContact OD2-NE 3.78Å; D123-R127 PolarHBondContact OD2-NE 3.13Å; D123-R127 IonicContact OD2-NH2 3.24Å; D123-R127 PolarHBondContact OD2-NH2 2.83Å |
| 124 | L | 94.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.1 | -63.1 | 170.9 | 173.5 | 63.6 | 0 | 0 | 0 | 110.3 | L79 L83 L120 K126 R127 L128 V141 I222 V224 | L79-L124 HydrophobicContact CD1-CB 3.94Å; L79-L124 HydrophobicContact CD1-CD1 3.77Å; L79-L124 HydrophobicContact CD1-CG 4.44Å; L83-L124 HydrophobicContact CD2-CD1 4.15Å; L120-L124 WeakPolarHBondContact O-CB 3.32Å; L120-L124 PolarHBondContact O-N 2.92Å; L124-K126 VanDerWaalsContact C-N 3.27Å; L124-K126 PolarHBondContact O-N 2.99Å; L124-R127 WeakPolarHBondContact O-CA 3.49Å; L124-R127 PolarHBondContact O-N 3.01Å; L124-L128 HydrophobicContact CD1-CD1 3.82Å; L124-L128 HydrophobicContact CD1-CD2 4.22Å; L124-L128 HydrophobicContact CD1-CG 3.97Å; L124-L128 HydrophobicContact CG-CD1 3.9Å; L124-L128 HydrophobicContact CG-CG 4.37Å; L124-L128 WeakPolarHBondContact O-CG 3.35Å; L124-L128 PolarHBondContact O-N 3.41Å; L124-V141 HydrophobicContact CD2-CG1 4.17Å; L124-V141 HydrophobicContact CD2-CG2 4.4Å; L124-I222 HydrophobicContact CD2-CG2 3.99Å; L124-V224 HydrophobicContact CD1-CG1 4.28Å; L124-V224 HydrophobicContact CD1-CG2 3.93Å; L124-V224 HydrophobicContact CD2-CG2 3.87Å |
| 125 | F | 91.1 | Very high | 82.4 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -35.9 | 178.4 | -79.2 | -68.4 | 0 | 0 | 0 | 112.8 | C121 R127 L128 N129 V141 V185 I186 S187 F188 I191 | C121-F125 PolarHBondContact O-N 2.88Å; F125-R127 PolarHBondContact O-N 3.09Å; F125-L128 HydrophobicContact CD1-CD1 4.29Å; F125-L128 PolarHBondContact O-N 3.27Å; F125-N129 VanDerWaalsContact O-CB 3.23Å; F125-N129 WeakPolarHBondContact O-CB 3.39Å; F125-N129 PolarHBondContact O-N 3.43Å; F125-N129 PolarHBondContact O-ND2 3.13Å; F125-V141 HydrophobicContact CE1-CG2 4.13Å; F125-V141 HydrophobicContact CZ-CB 4.13Å; F125-V141 HydrophobicContact CZ-CG1 4.4Å; F125-V141 HydrophobicContact CZ-CG2 4.12Å; F125-V185 HydrophobicContact CZ-CG2 4.29Å; F125-I186 VanDerWaalsContact CE1-C 3.4Å; F125-I186 VanDerWaalsContact CE1-O 3.32Å; F125-I186 WeakPolarHBondContact CE1-O 3.23Å; F125-S187 WeakPolarHBondContact CE2-O 2.93Å; F125-F188 HydrophobicContact CD2-CB 4.26Å; F125-I191 HydrophobicContact CD2-CD1 4.46Å; F125-I191 HydrophobicContact CE2-CD1 3.6Å; F125-I191 HydrophobicContact CE2-CG1 4.17Å; F125-I191 HydrophobicContact CZ-CD1 4.41Å |
| 126 | K | 91.1 | Very high | 80.9 | Confident | 125 Ų | 125 | 58.2 Ų | 58.2 | 54% | 0.543 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -24.7 | 173.5 | -174.2 | -177.7 | 179.3 | -176.4 | 0 | 113.7 | R122 D123 L124 R130 | R122-K126 VanDerWaalsContact O-CB 3.25Å; R122-K126 WeakPolarHBondContact O-CB 3.36Å; R122-K126 PolarHBondContact O-N 3.45Å; D123-K126 PolarHBondContact O-N 3.01Å; L124-K126 VanDerWaalsContact C-N 3.27Å; L124-K126 PolarHBondContact O-N 2.99Å; K126-R130 WeakPolarHBondContact O-CG 3.44Å |
| 127 | R | 90.6 | Very high | 79.7 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 18% | 0.177 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -92.7 | -42.1 | 176.6 | -69.5 | 168.1 | -169.2 | -142.6 | 7.8 | 112.4 | N76 N80 L83 D123 L124 F125 N129 R130 | N76-R127 PolarHBondContact OD1-NH2 3.09Å; N80-R127 PolarHBondContact OD1-NH1 2.86Å; L83-R127 HydrophobicContact CD1-CB 3.85Å; L83-R127 VanDerWaalsContact CD1-CD 3.43Å; L83-R127 HydrophobicContact CD1-CG 4.27Å; D123-R127 VanDerWaalsContact CG-NE 3.25Å; D123-R127 WeakPolarHBondContact O-CB 3.47Å; D123-R127 WeakPolarHBondContact O-CD 3.22Å; D123-R127 WeakPolarHBondContact O-CG 3.46Å; D123-R127 PolarHBondContact O-N 3.19Å; D123-R127 IonicContact OD1-CZ 2.69Å; D123-R127 IonicContact OD1-NE 3.65Å; D123-R127 PolarHBondContact OD1-NE 3.08Å; D123-R127 IonicContact OD1-NH2 3.02Å; D123-R127 IonicContact OD2-CZ 2.75Å; D123-R127 IonicContact OD2-NE 3.78Å; D123-R127 PolarHBondContact OD2-NE 3.13Å; D123-R127 IonicContact OD2-NH2 3.24Å; D123-R127 PolarHBondContact OD2-NH2 2.83Å; L124-R127 WeakPolarHBondContact O-CA 3.49Å; L124-R127 PolarHBondContact O-N 3.01Å; F125-R127 PolarHBondContact O-N 3.09Å; R127-N129 PolarHBondContact O-N 3.36Å; R127-R130 WeakPolarHBondContact O-CB 3.49Å; R127-R130 PolarHBondContact O-N 2.86Å |
| 128 | L | 85.8 | Confident | 78.9 | Confident | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.2 | -33 | 173.2 | -59 | 175.7 | 0 | 0 | 0 | 111.3 | L83 L124 F125 R130 H139 V141 V224 | L83-L128 HydrophobicContact CD2-CD2 3.68Å; L124-L128 HydrophobicContact CD1-CD1 3.82Å; L124-L128 HydrophobicContact CD1-CD2 4.22Å; L124-L128 HydrophobicContact CD1-CG 3.97Å; L124-L128 HydrophobicContact CG-CD1 3.9Å; L124-L128 HydrophobicContact CG-CG 4.37Å; L124-L128 WeakPolarHBondContact O-CG 3.35Å; L124-L128 PolarHBondContact O-N 3.41Å; F125-L128 HydrophobicContact CD1-CD1 4.29Å; F125-L128 PolarHBondContact O-N 3.27Å; L128-R130 PolarHBondContact O-N 3.29Å; L128-H139 HydrophobicContact CB-CB 4.47Å; L128-H139 HydrophobicContact CD1-CB 4.32Å; L128-H139 HydrophobicContact CD2-CB 4.15Å; L128-V141 HydrophobicContact CD1-CG2 3.59Å; L128-V224 HydrophobicContact CD2-CG1 4.24Å |
| 129 | N | 80.4 | Confident | 78.5 | Confident | 126 Ų | 126 | 68.8 Ų | 68.8 | 67% | 0.674 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 10.6 | 175.6 | -66.1 | -8.8 | 0 | 0 | 0 | 114.4 | F125 R127 | F125-N129 VanDerWaalsContact O-CB 3.23Å; F125-N129 WeakPolarHBondContact O-CB 3.39Å; F125-N129 PolarHBondContact O-N 3.43Å; F125-N129 PolarHBondContact O-ND2 3.13Å; R127-N129 PolarHBondContact O-N 3.36Å |
| 130 | R | 75.3 | Confident | 78.2 | Confident | 154 Ų | 154 | 71.6 Ų | 71.6 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -105.5 | 103.2 | 176.2 | -71.4 | 172.2 | 169.8 | 178.8 | -9 | 110.9 | K126 R127 L128 T132 | K126-R130 WeakPolarHBondContact O-CG 3.44Å; R127-R130 WeakPolarHBondContact O-CB 3.49Å; R127-R130 PolarHBondContact O-N 2.86Å; L128-R130 PolarHBondContact O-N 3.29Å; R130-T132 PolarHBondContact O-N 3.14Å |
| 131 | T | 55.1 | Low | 77.9 | Confident | 139 Ų | 139 | 71.7 Ų | 71.7 | 85% | 0.853 | 38% | 0.375 | S | S | * | . | trans | -60 | 120.6 | 172.9 | -38.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 132 | T | 58.5 | Low | 77.8 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | trans | -89.3 | 126.4 | 172.6 | -63.3 | 0 | 0 | 0 | 0 | 109.7 | R130 G134 Q135 | R130-T132 PolarHBondContact O-N 3.14Å; T132-G134 PolarHBondContact O-N 2.83Å; T132-G134 VanDerWaalsContact O-N 3.08Å; T132-Q135 PolarHBondContact O-N 3.39Å | ||
| 133 | S | 49.2 | Very low | 77.8 | Confident | 128 Ų | 128 | 69.2 Ų | 69.2 | 90% | 0.895 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 111.7 | -179.3 | -58 | 0 | 0 | 0 | 0 | 111.8 | ||
| 134 | G | 55.1 | Low | 77.8 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 61% | 0.608 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.1 | 3.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | T132 | T132-G134 PolarHBondContact O-N 2.83Å; T132-G134 VanDerWaalsContact O-N 3.08Å |
| 135 | Q | 56.7 | Low | 77.7 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 38% | 0.379 | 37% | 0.365 | S | S | . | . | trans | -135.5 | 132.5 | 170.7 | -71.5 | -179.5 | -21.3 | 0 | 0 | 110.3 | T132 I137 | T132-Q135 PolarHBondContact O-N 3.39Å; Q135-I137 HydrophobicContact CB-CD1 4.35Å; Q135-I137 HydrophobicContact CB-CG1 4.07Å | ||
| 136 | I | 61.6 | Low | 77.8 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.2 | 167.4 | -61.5 | 173.8 | 0 | 0 | 0 | 106.4 | E229 | I136-E229 HydrophobicContact CB-CB 4.19Å; I136-E229 PolarHBondContact O-N 3.43Å |
| 137 | I | 70.1 | Confident | 77.7 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.4 | -179.6 | -40.8 | 177.9 | 0 | 0 | 0 | 108.9 | Q135 H139 Q226 K227 I228 | Q135-I137 HydrophobicContact CB-CD1 4.35Å; Q135-I137 HydrophobicContact CB-CG1 4.07Å; I137-H139 WeakPolarHBondContact CG2-CE1 3.38Å; I137-Q226 HydrophobicContact CG2-CB 4.18Å; I137-K227 WeakPolarHBondContact CA-O 3.48Å; I137-I228 HydrophobicContact CD1-CG1 4.37Å; I137-I228 HydrophobicContact CG1-CG1 4.22Å; I137-I228 HydrophobicContact CG2-CG1 3.73Å |
| 138 | Q | 79 | Confident | 77.7 | Confident | 124 Ų | 124 | 60.4 Ų | 60.4 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.5 | 169.6 | -58.9 | 177.8 | -6.5 | 0 | 0 | 108.9 | Q226 K227 | Q138-Q226 CarbonylContact O-C 3.52Å; Q138-Q226 WeakPolarHBondContact O-CA 3.48Å; Q138-K227 HydrophobicContact CB-CB 4.31Å; Q138-K227 PolarHBondContact N-O 3.3Å; Q138-K227 PolarHBondContact O-N 2.98Å |
| 139 | H | 84.4 | Confident | 77.6 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.2 | -175.4 | -60.8 | -62.7 | 0 | 0 | 0 | 111.1 | L128 I137 T225 Q226 | L128-H139 HydrophobicContact CB-CB 4.47Å; L128-H139 HydrophobicContact CD1-CB 4.32Å; L128-H139 HydrophobicContact CD2-CB 4.15Å; I137-H139 WeakPolarHBondContact CG2-CE1 3.38Å; H139-T225 WeakPolarHBondContact CA-O 3.39Å; H139-Q226 PolarHBondContact CE1-OE1 3.47Å |
| 140 | M | 87.1 | Confident | 77.7 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.2 | 171.1 | -178.4 | -175.9 | 82 | 0 | 0 | 108.3 | E142 T225 | M140-E142 HydrophobicContact CE-CG 4.13Å; M140-T225 PolarHBondContact N-O 3.36Å; M140-T225 PolarHBondContact O-N 2.85Å |
| 141 | V | 90.6 | Very high | 78.3 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.8 | 178.2 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | L124 F125 L128 A184 V185 I191 I222 V223 | L124-V141 HydrophobicContact CD2-CG1 4.17Å; L124-V141 HydrophobicContact CD2-CG2 4.4Å; F125-V141 HydrophobicContact CE1-CG2 4.13Å; F125-V141 HydrophobicContact CZ-CB 4.13Å; F125-V141 HydrophobicContact CZ-CG1 4.4Å; F125-V141 HydrophobicContact CZ-CG2 4.12Å; L128-V141 HydrophobicContact CD1-CG2 3.59Å; V141-A184 WeakPolarHBondContact O-CA 3.05Å; V141-V185 HydrophobicContact CB-CG2 3.99Å; V141-V185 HydrophobicContact CG1-CG2 3.76Å; V141-V185 WeakPolarHBondContact O-CG2 3.46Å; V141-V185 PolarHBondContact O-N 2.79Å; V141-I191 HydrophobicContact CG1-CD1 4.4Å; V141-I222 HydrophobicContact CG1-CG2 3.53Å; V141-V223 CarbonylContact C-O 3.57Å; V141-V223 WeakPolarHBondContact CA-O 3.25Å |
| 142 | E | 91.6 | Very high | 79.8 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.5 | 168.9 | -47 | -177.8 | 112.2 | 0 | 0 | 109.4 | M140 K182 C183 I222 V223 | M140-E142 HydrophobicContact CE-CG 4.13Å; E142-K182 IonicContact OE1-NZ 2.71Å; E142-K182 IonicContact OE2-NZ 3.14Å; E142-K182 PolarHBondContact OE2-NZ 3.25Å; E142-C183 CarbonylContact C-O 3.55Å; E142-C183 WeakPolarHBondContact CA-O 3.49Å; E142-I222 CarbonylContact O-C 3.59Å; E142-I222 WeakPolarHBondContact O-CA 3.31Å; E142-V223 HydrophobicContact CB-CB 4.19Å; E142-V223 PolarHBondContact N-O 2.71Å; E142-V223 PolarHBondContact O-N 2.8Å |
| 143 | V | 93.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.6 | 168.9 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | K182 C183 V185 I191 L194 F220 T221 I222 | V143-K182 CarbonylContact O-C 3.53Å; V143-K182 WeakPolarHBondContact O-CA 3.2Å; V143-C183 HydrophobicContact CG2-CB 4.12Å; V143-C183 PolarHBondContact N-O 3.07Å; V143-C183 PolarHBondContact O-N 3.49Å; V143-V185 HydrophobicContact CG1-CG2 4.11Å; V143-V185 HydrophobicContact CG2-CG1 4.04Å; V143-V185 HydrophobicContact CG2-CG2 4.3Å; V143-I191 HydrophobicContact CG1-CD1 3.73Å; V143-I191 HydrophobicContact CG1-CG1 3.93Å; V143-L194 HydrophobicContact CG2-CD1 3.57Å; V143-F220 HydrophobicContact CB-CE2 4.4Å; V143-F220 HydrophobicContact CB-CZ 4.04Å; V143-F220 HydrophobicContact CG1-CE1 4.36Å; V143-F220 HydrophobicContact CG1-CZ 3.87Å; V143-T221 CarbonylContact C-O 3.59Å; V143-T221 WeakPolarHBondContact CA-O 3.26Å; V143-I222 HydrophobicContact CG1-CB 4.49Å; V143-I222 HydrophobicContact CG1-CG1 4.24Å; V143-I222 HydrophobicContact CG1-CG2 4.17Å |
| 144 | S | 92.5 | Very high | 83 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.8 | 170.8 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | S181 T221 | S144-S181 WeakPolarHBondContact CA-O 3.43Å; S144-S181 WeakPolarHBondContact CB-O 3.29Å; S144-T221 PolarHBondContact N-O 3.2Å; S144-T221 PolarHBondContact O-N 2.78Å |
| 145 | Y | 93.7 | Very high | 84.7 | Confident | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 123.9 | -179.2 | -163.4 | -167.7 | 0 | 0 | 0 | 109.7 | L156 L157 N199 A218 F220 | Y145-L156 HydrophobicContact CD1-CB 4.08Å; Y145-L156 HydrophobicContact CD1-CD1 3.99Å; Y145-L156 HydrophobicContact CD2-CD1 3.77Å; Y145-L156 HydrophobicContact CE1-CD1 4.01Å; Y145-L156 HydrophobicContact CE2-CD1 3.82Å; Y145-L156 HydrophobicContact CG-CB 4.07Å; Y145-L156 HydrophobicContact CG-CD1 3.85Å; Y145-L156 WeakPolarHBondContact O-CB 3.45Å; Y145-L156 PolarHBondContact O-N 2.96Å; Y145-L157 HydrophobicContact CD1-CD2 4.41Å; Y145-N199 PolarHBondContact OH-OD1 3.48Å; Y145-A218 HydrophobicContact CE2-CB 3.94Å; Y145-F220 HydrophobicContact CD1-CD2 4.04Å; Y145-F220 HydrophobicContact CD2-CB 3.77Å; Y145-F220 AromaticContact CD2-CD2 3.83Å; Y145-F220 HydrophobicContact CD2-CD2 3.83Å; Y145-F220 HydrophobicContact CD2-CG 4.32Å; Y145-F220 HydrophobicContact CE2-CB 3.91Å; Y145-F220 HydrophobicContact CE2-CD2 4.34Å; Y145-F220 HydrophobicContact CG-CB 4.48Å; Y145-F220 AromaticContact CG-CD2 3.67Å; Y145-F220 HydrophobicContact CG-CD2 3.67Å; Y145-F220 HydrophobicContact CG-CE2 4.49Å |
| 146 | M | 91.9 | Very high | 86.2 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 155 | -177.9 | 58.3 | 174.1 | 161.5 | 0 | 0 | 111.9 | V153 R154 V177 L180 A218 V219 L308 | M146-V153 HydrophobicContact CB-CG1 4.25Å; M146-V153 HydrophobicContact SD-CG1 3.86Å; M146-R154 VanDerWaalsContact CA-O 3.31Å; M146-R154 WeakPolarHBondContact CA-O 3.19Å; M146-R154 WeakPolarHBondContact CB-O 3.35Å; M146-V177 HydrophobicContact CE-CG2 4.24Å; M146-V177 HydrophobicContact SD-CG2 3.7Å; M146-L180 HydrophobicContact CB-CD1 3.94Å; M146-L180 HydrophobicContact CE-CD2 4.38Å; M146-L180 HydrophobicContact CG-CD2 4.43Å; M146-L180 HydrophobicContact SD-CD2 3.94Å; M146-A218 WeakPolarHBondContact O-CA 3.45Å; M146-V219 HydrophobicContact CE-CB 3.76Å; M146-V219 HydrophobicContact CE-CG1 3.64Å; M146-V219 HydrophobicContact CE-CG2 4.31Å; M146-V219 HydrophobicContact CG-CB 3.93Å; M146-V219 PolarHBondContact N-O 2.95Å; M146-V219 VanDerWaalsContact N-O 3.08Å; M146-V219 PolarHBondContact O-N 2.79Å; M146-L308 HydrophobicContact CE-CD1 4.12Å; M146-L308 HydrophobicContact SD-CD1 4.27Å |
| 147 | E | 89.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.9 | 164 | 69.6 | 178.7 | 161.4 | 0 | 0 | 112.1 | V153 R154 L156 R202 T203 S216 H217 | E147-V153 WeakPolarHBondContact O-CA 3.42Å; E147-R154 HydrophobicContact CG-CB 4.06Å; E147-R154 PolarHBondContact N-O 2.88Å; E147-R154 PolarHBondContact O-N 2.73Å; E147-R154 IonicContact OE1-CZ 2.66Å; E147-R154 IonicContact OE1-NH1 3.51Å; E147-R154 PolarHBondContact OE1-NH1 2.89Å; E147-L156 HydrophobicContact CB-CD1 4.2Å; E147-L156 HydrophobicContact CB-CD2 4.14Å; E147-L156 HydrophobicContact CB-CG 4.35Å; E147-L156 HydrophobicContact CG-CD2 3.84Å; E147-L156 HydrophobicContact CG-CG 4.46Å; E147-R202 WeakPolarHBondContact OE2-CG 3.49Å; E147-T203 VanDerWaalsContact CD-N 3.34Å; E147-T203 WeakPolarHBondContact OE1-CB 3.26Å; E147-T203 PolarHBondContact OE1-N 2.95Å; E147-T203 PolarHBondContact OE1-OG1 3.02Å; E147-T203 WeakPolarHBondContact OE2-CB 3.2Å; E147-T203 PolarHBondContact OE2-N 2.94Å; E147-S216 VanDerWaalsContact OE2-CB 3.31Å; E147-S216 WeakPolarHBondContact OE2-CB 3.23Å; E147-S216 PolarHBondContact OE2-OG 2.76Å; E147-H217 CarbonylContact C-O 3.55Å; E147-H217 WeakPolarHBondContact CA-O 3.33Å |
| 148 | I | 90.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 106.8 | 169.8 | -50.2 | 171.7 | 0 | 0 | 0 | 106.8 | R152 V153 H217 V219 V304 L305 L308 | I148-R152 CarbonylContact C-O 3.56Å; I148-R152 WeakPolarHBondContact CA-O 3.44Å; I148-V153 HydrophobicContact CG1-CG2 4.48Å; I148-H217 HydrophobicContact CB-CB 4.27Å; I148-H217 PolarHBondContact N-O 2.76Å; I148-H217 PolarHBondContact O-N 2.77Å; I148-V219 HydrophobicContact CD1-CG2 4.32Å; I148-V304 HydrophobicContact CD1-CG1 4.35Å; I148-V304 HydrophobicContact CG2-CB 4.17Å; I148-V304 HydrophobicContact CG2-CG1 3.87Å; I148-L305 HydrophobicContact CD1-CB 4.32Å; I148-L305 HydrophobicContact CD1-CD1 4.02Å; I148-L308 HydrophobicContact CD1-CD1 3.9Å |
| 149 | Y | 84.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 33.3 Ų | 33.3 | 18% | 0.176 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.5 | -178.2 | -176.1 | -116.8 | 0 | 0 | 0 | 110.1 | E151 R152 T203 R215 E266 | Y149-E151 VanDerWaalsContact C-N 3.31Å; Y149-E151 PolarHBondContact O-N 2.8Å; Y149-R152 PolarHBondContact N-O 2.72Å; Y149-R152 WeakPolarHBondContact O-CA 3.34Å; Y149-R152 VanDerWaalsContact O-CB 3.28Å; Y149-R152 WeakPolarHBondContact O-CB 3.44Å; Y149-R152 PolarHBondContact O-N 3.2Å; Y149-T203 HydrophobicContact CD1-CG2 4.2Å; Y149-T203 HydrophobicContact CE1-CG2 3.96Å; Y149-T203 HydrophobicContact CE2-CG2 4.46Å; Y149-R215 WeakPolarHBondContact CD2-O 3.4Å; Y149-R215 HydrophobicContact CE2-CB 4Å; Y149-E266 WeakPolarHBondContact OH-CG 3.02Å; Y149-E266 PolarHBondContact OH-OE1 3.35Å; Y149-E266 PolarHBondContact OH-OE2 2.89Å |
| 150 | C | 82.5 | Confident | 86.2 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 43.1 | -178.5 | -63 | 0 | 0 | 0 | 0 | 114.8 | R152 N269 | C150-R152 PolarHBondContact O-N 2.91Å; C150-N269 HydrophobicContact CB-CB 4.23Å |
| 151 | E | 87.9 | Confident | 85 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 16.7 | -173.9 | -54.5 | -72 | 98.5 | 0 | 0 | 114.6 | Y149 N269 K272 S273 S303 V304 | Y149-E151 VanDerWaalsContact C-N 3.31Å; Y149-E151 PolarHBondContact O-N 2.8Å; E151-N269 HydrophobicContact CG-CB 4.48Å; E151-K272 HydrophobicContact CG-CD 3.99Å; E151-K272 IonicContact OE2-NZ 3.14Å; E151-K272 PolarHBondContact OE2-NZ 3.48Å; E151-S273 WeakPolarHBondContact OE1-CB 3.36Å; E151-S303 WeakPolarHBondContact OE2-CA 3.4Å; E151-S303 WeakPolarHBondContact OE2-CB 3.38Å; E151-V304 HydrophobicContact CB-CG2 4.29Å; E151-V304 WeakPolarHBondContact O-CG2 3.04Å; E151-V304 PolarHBondContact OE2-N 2.75Å |
| 152 | R | 85.3 | Confident | 83.4 | Confident | 153 Ų | 153 | 45.3 Ų | 45.3 | 58% | 0.577 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.7 | 172.8 | -64 | 179.3 | 69 | 157.4 | 0.9 | 109.8 | I148 Y149 C150 N164 | I148-R152 CarbonylContact C-O 3.56Å; I148-R152 WeakPolarHBondContact CA-O 3.44Å; Y149-R152 PolarHBondContact N-O 2.72Å; Y149-R152 WeakPolarHBondContact O-CA 3.34Å; Y149-R152 VanDerWaalsContact O-CB 3.28Å; Y149-R152 WeakPolarHBondContact O-CB 3.44Å; Y149-R152 PolarHBondContact O-N 3.2Å; C150-R152 PolarHBondContact O-N 2.91Å; R152-N164 WeakPolarHBondContact CA-OD1 3.38Å; R152-N164 WeakPolarHBondContact CB-OD1 3.32Å; R152-N164 WeakPolarHBondContact CG-OD1 3.3Å |
| 153 | V | 89.4 | Confident | 82.1 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.8 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | M146 E147 I148 N164 L165 V167 V177 V304 L308 | M146-V153 HydrophobicContact CB-CG1 4.25Å; M146-V153 HydrophobicContact SD-CG1 3.86Å; E147-V153 WeakPolarHBondContact O-CA 3.42Å; I148-V153 HydrophobicContact CG1-CG2 4.48Å; V153-N164 PolarHBondContact N-OD1 2.85Å; V153-N164 WeakPolarHBondContact O-CA 3.33Å; V153-L165 HydrophobicContact CB-CB 4.16Å; V153-L165 HydrophobicContact CG1-CB 4.21Å; V153-L165 PolarHBondContact O-N 3.41Å; V153-V167 HydrophobicContact CG2-CG2 3.75Å; V153-V177 HydrophobicContact CG1-CG1 3.88Å; V153-V177 HydrophobicContact CG1-CG2 4.24Å; V153-V304 HydrophobicContact CG2-CG1 3.57Å; V153-L308 HydrophobicContact CG2-CD1 4.48Å |
| 154 | R | 86.6 | Confident | 81.6 | Confident | 68 Ų | 68 | 48.4 Ų | 48.4 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.1 | 178.5 | -179 | 179.3 | 167.2 | -124.4 | -5.4 | 110.2 | M146 E147 A201 | M146-R154 VanDerWaalsContact CA-O 3.31Å; M146-R154 WeakPolarHBondContact CA-O 3.19Å; M146-R154 WeakPolarHBondContact CB-O 3.35Å; E147-R154 HydrophobicContact CG-CB 4.06Å; E147-R154 PolarHBondContact N-O 2.88Å; E147-R154 PolarHBondContact O-N 2.73Å; E147-R154 IonicContact OE1-CZ 2.66Å; E147-R154 IonicContact OE1-NH1 3.51Å; E147-R154 PolarHBondContact OE1-NH1 2.89Å; R154-A201 PolarHBondContact NH1-O 2.57Å; R154-A201 PolarHBondContact NH2-O 2.88Å |
| 155 | D | 89.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 137.9 | 171.9 | -152.6 | -42.8 | 0 | 0 | 0 | 110.5 | L157 D158 L165 S181 | D155-L157 WeakPolarHBondContact OD1-CA 3.15Å; D155-L157 PolarHBondContact OD1-N 3.04Å; D155-D158 PolarHBondContact OD1-N 3.09Å; D155-D158 VanDerWaalsContact OD1-N 3.16Å; D155-L165 HydrophobicContact CB-CD1 4.11Å; D155-S181 WeakPolarHBondContact OD2-CB 3.38Å; D155-S181 PolarHBondContact OD2-N 3.17Å; D155-S181 PolarHBondContact OD2-OG 2.91Å |
| 156 | L | 88.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -102.1 | -16.4 | 172.5 | -61.9 | 180 | 0 | 0 | 0 | 112.2 | Y145 E147 G198 A201 R202 | Y145-L156 HydrophobicContact CD1-CB 4.08Å; Y145-L156 HydrophobicContact CD1-CD1 3.99Å; Y145-L156 HydrophobicContact CD2-CD1 3.77Å; Y145-L156 HydrophobicContact CE1-CD1 4.01Å; Y145-L156 HydrophobicContact CE2-CD1 3.82Å; Y145-L156 HydrophobicContact CG-CB 4.07Å; Y145-L156 HydrophobicContact CG-CD1 3.85Å; Y145-L156 WeakPolarHBondContact O-CB 3.45Å; Y145-L156 PolarHBondContact O-N 2.96Å; E147-L156 HydrophobicContact CB-CD1 4.2Å; E147-L156 HydrophobicContact CB-CD2 4.14Å; E147-L156 HydrophobicContact CB-CG 4.35Å; E147-L156 HydrophobicContact CG-CD2 3.84Å; E147-L156 HydrophobicContact CG-CG 4.46Å; L156-G198 VanDerWaalsContact O-CA 3.29Å; L156-G198 WeakPolarHBondContact O-CA 3.47Å; L156-A201 HydrophobicContact CD2-CB 4.17Å; L156-R202 HydrophobicContact CD2-CB 4.2Å |
| 157 | L | 86.8 | Confident | 80.8 | Confident | 19 Ų | 19 | 57.1 Ų | 57.1 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -90.9 | -25.2 | 177.9 | -54.3 | -172.7 | 0 | 0 | 0 | 112.6 | Y145 D155 P159 L194 | Y145-L157 HydrophobicContact CD1-CD2 4.41Å; D155-L157 WeakPolarHBondContact OD1-CA 3.15Å; D155-L157 PolarHBondContact OD1-N 3.04Å; L157-P159 WeakPolarHBondContact O-CD 3.39Å; L157-L194 HydrophobicContact CD2-CB 3.99Å; L157-L194 HydrophobicContact CD2-CD2 4.22Å; L157-L194 WeakPolarHBondContact CD2-O 3.32Å |
| 158 | D | 79.6 | Confident | 80.4 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | trans | -108.6 | 96.9 | 163.7 | -178.3 | 32.8 | 0 | 0 | 0 | 113.7 | D155 K160 S161 | D155-D158 PolarHBondContact OD1-N 3.09Å; D155-D158 VanDerWaalsContact OD1-N 3.16Å; D158-K160 PolarHBondContact O-N 2.77Å; D158-K160 WeakPolarHBondContact OD1-CB 3.42Å; D158-K160 WeakPolarHBondContact OD1-CG 3.46Å; D158-K160 PolarHBondContact OD1-N 2.85Å; D158-S161 WeakPolarHBondContact O-CB 3.25Å; D158-S161 PolarHBondContact O-N 2.99Å; D158-S161 WeakPolarHBondContact OD2-CB 3.22Å; D158-S161 PolarHBondContact OD2-N 2.98Å | ||
| 159 | P | 62.8 | Low | 79.9 | Confident | 75 Ų | 75 | 63 Ų | 63 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.1 | 170.8 | -23.6 | 34.6 | 0 | 0 | 0 | 115.2 | L157 V197 | L157-P159 WeakPolarHBondContact O-CD 3.39Å; P159-V197 HydrophobicContact CG-CG1 4.43Å |
| 160 | K | 66.5 | Low | 78.9 | Confident | 177 Ų | 177 | 63.6 Ų | 63.6 | 77% | 0.77 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -22 | 177.5 | -55.1 | 167.6 | -174.4 | 164.3 | 0 | 111.8 | D158 K162 | D158-K160 PolarHBondContact O-N 2.77Å; D158-K160 WeakPolarHBondContact OD1-CB 3.42Å; D158-K160 WeakPolarHBondContact OD1-CG 3.46Å; D158-K160 PolarHBondContact OD1-N 2.85Å; K160-K162 VanDerWaalsContact C-N 3.28Å; K160-K162 PolarHBondContact O-N 3.47Å |
| 161 | S | 60.5 | Low | 77.3 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | trans | -66 | 85.1 | 172.7 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | D158 G163 | D158-S161 WeakPolarHBondContact O-CB 3.25Å; D158-S161 PolarHBondContact O-N 2.99Å; D158-S161 WeakPolarHBondContact OD2-CB 3.22Å; D158-S161 PolarHBondContact OD2-N 2.98Å; S161-G163 PolarHBondContact O-N 3.46Å | ||
| 162 | K | 58.5 | Low | 75.6 | Confident | 203 Ų | 203 | 67.8 Ų | 67.8 | 88% | 0.883 | 32% | 0.324 | S | S | * | . | trans | -75.8 | -0.3 | 170.6 | -66 | 176.2 | -177.9 | 177 | 0 | 112.5 | K160 | K160-K162 VanDerWaalsContact C-N 3.28Å; K160-K162 PolarHBondContact O-N 3.47Å | ||
| 163 | G | 63.3 | Low | 74.4 | Confident | 41 Ų | 41 | 66 Ų | 66 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -79.3 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S161 | S161-G163 PolarHBondContact O-N 3.46Š|
| 164 | N | 82.7 | Confident | 73.4 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | trans | -99 | 115.6 | 157.4 | 166 | 82 | 0 | 0 | 0 | 107.5 | R152 V153 | R152-N164 WeakPolarHBondContact CA-OD1 3.38Å; R152-N164 WeakPolarHBondContact CB-OD1 3.32Å; R152-N164 WeakPolarHBondContact CG-OD1 3.3Å; V153-N164 PolarHBondContact N-OD1 2.85Å; V153-N164 WeakPolarHBondContact O-CA 3.33Å | ||
| 165 | L | 87.1 | Confident | 73.2 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 144.8 | 174.6 | -58.9 | -172.7 | 0 | 0 | 0 | 110.2 | V153 D155 V177 D179 L180 | V153-L165 HydrophobicContact CB-CB 4.16Å; V153-L165 HydrophobicContact CG1-CB 4.21Å; V153-L165 PolarHBondContact O-N 3.41Å; D155-L165 HydrophobicContact CB-CD1 4.11Å; L165-V177 HydrophobicContact CB-CG1 3.5Å; L165-V177 VanDerWaalsContact CB-CG1 3.5Å; L165-V177 HydrophobicContact CD1-CG1 3.69Å; L165-V177 HydrophobicContact CG-CG1 4.26Å; L165-D179 HydrophobicContact CD2-CB 4.13Å; L165-L180 HydrophobicContact CD1-CB 3.98Å; L165-L180 HydrophobicContact CD1-CD1 4.03Å |
| 166 | R | 85.5 | Confident | 73.1 | Confident | 173 Ų | 173 | 67.8 Ų | 67.8 | 65% | 0.653 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 139.1 | -177.8 | -67.3 | 177.1 | 173.2 | -172.4 | 0.1 | 109.8 | E178 | R166-E178 HydrophobicContact CB-CB 4.19Å; R166-E178 WeakPolarHBondContact CB-OE2 3.42Å; R166-E178 WeakPolarHBondContact CD-OE2 3.25Å; R166-E178 WeakPolarHBondContact O-CB 3.5Å; R166-E178 PolarHBondContact O-N 2.99Å |
| 167 | V | 88.5 | Confident | 73.1 | Confident | 23 Ų | 23 | 68.7 Ų | 68.7 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.9 | 169.3 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | V153 Y176 V177 V304 W307 L308 | V153-V167 HydrophobicContact CG2-CG2 3.75Å; V167-Y176 WeakPolarHBondContact CA-O 3.36Å; V167-V177 HydrophobicContact CG2-CG2 4.35Å; V167-V304 HydrophobicContact CG2-CG1 3.97Å; V167-W307 HydrophobicContact CB-CE3 3.89Å; V167-W307 HydrophobicContact CB-CH2 4.4Å; V167-W307 HydrophobicContact CB-CZ3 3.69Å; V167-W307 HydrophobicContact CG1-CD2 3.86Å; V167-W307 HydrophobicContact CG1-CE3 3.45Å; V167-W307 VanDerWaalsContact CG1-CE3 3.45Å; V167-W307 HydrophobicContact CG1-CH2 4.12Å; V167-W307 HydrophobicContact CG1-CZ2 4.49Å; V167-W307 HydrophobicContact CG1-CZ3 3.59Å; V167-W307 VanDerWaalsContact O-CH2 3.27Å; V167-W307 WeakPolarHBondContact O-CH2 3.3Å; V167-W307 WeakPolarHBondContact O-CZ3 3.09Å; V167-L308 HydrophobicContact CG1-CD2 3.81Å; V167-L308 HydrophobicContact CG1-CG 4.19Å; V167-L308 HydrophobicContact CG2-CD1 4.18Å; V167-L308 HydrophobicContact CG2-CD2 4.32Å; V167-L308 HydrophobicContact CG2-CG 4.35Å |
| 168 | R | 82.4 | Confident | 73 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 167.5 | 176.3 | -62.3 | -176.2 | 79.5 | 157.8 | 5 | 108.4 | P175 Y176 E178 S1326 | R168-P175 CarbonylContact O-C 3.59Å; R168-P175 WeakPolarHBondContact O-CA 3.43Å; R168-Y176 HydrophobicContact CB-CD1 4.25Å; R168-Y176 HydrophobicContact CB-CE1 3.57Å; R168-Y176 HydrophobicContact CB-CE2 4.34Å; R168-Y176 PolarHBondContact N-O 2.87Å; R168-Y176 PolarHBondContact O-N 3.42Å; R168-Y176 VanDerWaalsContact O-O 3.1Å; R168-E178 VanDerWaalsContact CD-CD 3.47Å; R168-E178 WeakPolarHBondContact CD-OE1 3.21Å; R168-E178 IonicContact CZ-OE1 3.12Å; R168-E178 IonicContact NE-OE1 2.71Å; R168-E178 IonicContact NH1-OE1 3.83Å; R168-E178 PolarHBondContact NH1-OE1 3.06Å; R168-E178 IonicContact NH1-OE2 2.78Å; R168-S1326 PolarHBondContact NH2-O 2.77Å; R168-S1326 VanDerWaalsContact NH2-O 3.16Å |
| 169 | E | 78.8 | Confident | 73.1 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 23% | 0.234 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 102.7 | -179.5 | -179.7 | 169.2 | -171.4 | 0 | 0 | 109 | G174 P175 R301 W307 K310 | E169-G174 CarbonylContact C-O 3.56Å; E169-G174 WeakPolarHBondContact CA-O 3.5Å; E169-P175 HydrophobicContact CG-CG 4.06Å; E169-R301 IonicContact OE2-CZ 2.73Å; E169-R301 IonicContact OE2-NH1 3.32Å; E169-R301 PolarHBondContact OE2-NH1 3.05Å; E169-W307 HydrophobicContact CB-CZ2 3.78Å; E169-W307 PolarHBondContact OE2-NE1 3.23Å; E169-K310 IonicContact OE1-NZ 3.51Å; E169-K310 PolarHBondContact OE1-NZ 3.06Å |
| 170 | H | 64.6 | Low | 74.2 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135 | 178 | -177.6 | -111.8 | 0 | 0 | 0 | 109 | I172 L173 G174 Y176 | H170-I172 PolarHBondContact ND1-N 3.16Å; H170-I172 PolarHBondContact O-N 3.21Å; H170-I172 VanDerWaalsContact O-N 3.13Å; H170-L173 HydrophobicContact CB-CB 4.04Å; H170-L173 WeakPolarHBondContact ND1-CG 3.46Å; H170-L173 PolarHBondContact ND1-N 2.87Å; H170-L173 VanDerWaalsContact ND1-N 3.19Å; H170-L173 PolarHBondContact O-N 3.47Å; H170-G174 PolarHBondContact N-O 2.72Å; H170-G174 WeakPolarHBondContact O-CA 3.37Å; H170-G174 PolarHBondContact O-N 3.41Å; H170-Y176 HydrophobicContact CB-CD1 3.97Å; H170-Y176 HydrophobicContact CB-CE1 3.8Å |
| 171 | P | 47.4 | Very low | 75.1 | Confident | 49 Ų | 49 | 65 Ų | 65 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.7 | -175.9 | 16.3 | -31.9 | 0 | 0 | 0 | 115.8 | Q1238 | P171-Q1238 HydrophobicContact CB-CB 3.64Å; P171-Q1238 HydrophobicContact CB-CG 4.19Å; P171-Q1238 HydrophobicContact CG-CB 3.54Å; P171-Q1238 HydrophobicContact CG-CG 3.54Å |
| 172 | I | 52.4 | Low | 76.4 | Confident | 107 Ų | 107 | 69.7 Ų | 69.7 | 55% | 0.549 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -36.2 | 176.4 | -67.7 | 162.8 | 0 | 0 | 0 | 112.7 | H170 Q1238 | H170-I172 PolarHBondContact ND1-N 3.16Å; H170-I172 PolarHBondContact O-N 3.21Å; H170-I172 VanDerWaalsContact O-N 3.13Å; I172-Q1238 VanDerWaalsContact CG1-OE1 3.29Å |
| 173 | L | 60.8 | Low | 77.6 | Confident | 116 Ų | 116 | 61.8 Ų | 61.8 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 5.5 | -170.1 | -60.4 | 170 | 0 | 0 | 0 | 113.3 | H170 | H170-L173 HydrophobicContact CB-CB 4.04Å; H170-L173 WeakPolarHBondContact ND1-CG 3.46Å; H170-L173 PolarHBondContact ND1-N 2.87Å; H170-L173 VanDerWaalsContact ND1-N 3.19Å; H170-L173 PolarHBondContact O-N 3.47Å |
| 174 | G | 68.4 | Low | 78.8 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.5 | -160.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E169 H170 Y176 | E169-G174 CarbonylContact C-O 3.56Å; E169-G174 WeakPolarHBondContact CA-O 3.5Å; H170-G174 PolarHBondContact N-O 2.72Å; H170-G174 WeakPolarHBondContact O-CA 3.37Å; H170-G174 PolarHBondContact O-N 3.41Å; G174-Y176 PolarHBondContact O-N 3.33Å |
| 175 | P | 83.4 | Confident | 78.8 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125.7 | 177.3 | -24.3 | 39.1 | 0 | 0 | 0 | 112.4 | R168 E169 W307 K310 | R168-P175 CarbonylContact O-C 3.59Å; R168-P175 WeakPolarHBondContact O-CA 3.43Å; E169-P175 HydrophobicContact CG-CG 4.06Å; P175-W307 HydrophobicContact CB-CG 4.25Å; P175-W307 VanDerWaalsContact CB-O 3.32Å; P175-W307 WeakPolarHBondContact CB-O 3.38Å; P175-W307 VanDerWaalsContact CG-CD1 3.44Å; P175-W307 HydrophobicContact CG-CG 4.36Å; P175-W307 VanDerWaalsContact CG-O 3.25Å; P175-W307 WeakPolarHBondContact CG-O 3.46Å; P175-K310 HydrophobicContact CG-CB 4.17Å; P175-K310 HydrophobicContact CG-CD 3.84Å |
| 176 | Y | 86.9 | Confident | 78.7 | Confident | 94 Ų | 94 | 67 Ų | 67 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 164.2 | -180 | 75.5 | -81.3 | 0 | 0 | 0 | 111.1 | V167 R168 H170 G174 | V167-Y176 WeakPolarHBondContact CA-O 3.36Å; R168-Y176 HydrophobicContact CB-CD1 4.25Å; R168-Y176 HydrophobicContact CB-CE1 3.57Å; R168-Y176 HydrophobicContact CB-CE2 4.34Å; R168-Y176 PolarHBondContact N-O 2.87Å; R168-Y176 PolarHBondContact O-N 3.42Å; R168-Y176 VanDerWaalsContact O-O 3.1Å; H170-Y176 HydrophobicContact CB-CD1 3.97Å; H170-Y176 HydrophobicContact CB-CE1 3.8Å; G174-Y176 PolarHBondContact O-N 3.33Å |
| 177 | V | 88.7 | Confident | 78.7 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 11% | 0.109 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.7 | 175.7 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | M146 V153 L165 V167 L180 L308 | M146-V177 HydrophobicContact CE-CG2 4.24Å; M146-V177 HydrophobicContact SD-CG2 3.7Å; V153-V177 HydrophobicContact CG1-CG1 3.88Å; V153-V177 HydrophobicContact CG1-CG2 4.24Å; L165-V177 HydrophobicContact CB-CG1 3.5Å; L165-V177 VanDerWaalsContact CB-CG1 3.5Å; L165-V177 HydrophobicContact CD1-CG1 3.69Å; L165-V177 HydrophobicContact CG-CG1 4.26Å; V167-V177 HydrophobicContact CG2-CG2 4.35Å; V177-L180 HydrophobicContact CB-CB 3.83Å; V177-L180 HydrophobicContact CB-CD2 3.99Å; V177-L180 HydrophobicContact CG1-CB 3.84Å; V177-L180 HydrophobicContact CG2-CD2 4.28Å; V177-L308 HydrophobicContact CG2-CD1 3.99Å; V177-L308 HydrophobicContact CG2-CD2 3.7Å |
| 178 | E | 84.4 | Confident | 78.9 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 138.2 | 172.2 | -178.2 | 162.1 | -105.7 | 0 | 0 | 109.8 | R166 R168 L180 | R166-E178 HydrophobicContact CB-CB 4.19Å; R166-E178 WeakPolarHBondContact CB-OE2 3.42Å; R166-E178 WeakPolarHBondContact CD-OE2 3.25Å; R166-E178 WeakPolarHBondContact O-CB 3.5Å; R166-E178 PolarHBondContact O-N 2.99Å; R168-E178 VanDerWaalsContact CD-CD 3.47Å; R168-E178 WeakPolarHBondContact CD-OE1 3.21Å; R168-E178 IonicContact CZ-OE1 3.12Å; R168-E178 IonicContact NE-OE1 2.71Å; R168-E178 IonicContact NH1-OE1 3.83Å; R168-E178 PolarHBondContact NH1-OE1 3.06Å; R168-E178 IonicContact NH1-OE2 2.78Å; E178-L180 PolarHBondContact O-N 2.94Å |
| 179 | D | 81.9 | Confident | 79.2 | Confident | 138 Ų | 138 | 61.9 Ų | 61.9 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 25 | -179 | -47.7 | -33.4 | 0 | 0 | 0 | 115.8 | L165 | L165-D179 HydrophobicContact CD2-CB 4.13Š|
| 180 | L | 86.3 | Confident | 79.6 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | trans | -79.3 | 124.5 | 171 | 177.3 | 62.2 | 0 | 0 | 0 | 111.1 | M146 L165 V177 E178 K182 | M146-L180 HydrophobicContact CB-CD1 3.94Å; M146-L180 HydrophobicContact CE-CD2 4.38Å; M146-L180 HydrophobicContact CG-CD2 4.43Å; M146-L180 HydrophobicContact SD-CD2 3.94Å; L165-L180 HydrophobicContact CD1-CB 3.98Å; L165-L180 HydrophobicContact CD1-CD1 4.03Å; V177-L180 HydrophobicContact CB-CB 3.83Å; V177-L180 HydrophobicContact CB-CD2 3.99Å; V177-L180 HydrophobicContact CG1-CB 3.84Å; V177-L180 HydrophobicContact CG2-CD2 4.28Å; E178-L180 PolarHBondContact O-N 2.94Å; L180-K182 PolarHBondContact O-N 2.82Å | ||
| 181 | S | 85.4 | Confident | 80.8 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | trans | -59.6 | 128.3 | 179.3 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | S144 D155 | S144-S181 WeakPolarHBondContact CA-O 3.43Å; S144-S181 WeakPolarHBondContact CB-O 3.29Å; D155-S181 WeakPolarHBondContact OD2-CB 3.38Å; D155-S181 PolarHBondContact OD2-N 3.17Å; D155-S181 PolarHBondContact OD2-OG 2.91Å | ||
| 182 | K | 86.5 | Confident | 82.8 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | trans | -113 | 112.8 | 166.2 | -67.7 | 179.9 | 163.5 | -153.6 | 0 | 109 | E142 V143 L180 | E142-K182 IonicContact OE1-NZ 2.71Å; E142-K182 IonicContact OE2-NZ 3.14Å; E142-K182 PolarHBondContact OE2-NZ 3.25Å; V143-K182 CarbonylContact O-C 3.53Å; V143-K182 WeakPolarHBondContact O-CA 3.2Å; L180-K182 PolarHBondContact O-N 2.82Å | ||
| 183 | C | 84.9 | Confident | 84.5 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.3 | 175.3 | -60.3 | 0 | 0 | 0 | 0 | 108.9 | E142 V143 L194 | E142-C183 CarbonylContact C-O 3.55Å; E142-C183 WeakPolarHBondContact CA-O 3.49Å; V143-C183 HydrophobicContact CG2-CB 4.12Å; V143-C183 PolarHBondContact N-O 3.07Å; V143-C183 PolarHBondContact O-N 3.49Å; C183-L194 HydrophobicContact CB-CD1 3.53Å; C183-L194 HydrophobicContact CB-CD2 4.42Å |
| 184 | A | 86.8 | Confident | 85.9 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 137.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V141 | V141-A184 WeakPolarHBondContact O-CA 3.05Å |
| 185 | V | 84.3 | Confident | 86.8 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.6 | -172.4 | -74.5 | 0 | 0 | 0 | 0 | 110.9 | F125 V141 V143 E190 I191 L194 | F125-V185 HydrophobicContact CZ-CG2 4.29Å; V141-V185 HydrophobicContact CB-CG2 3.99Å; V141-V185 HydrophobicContact CG1-CG2 3.76Å; V141-V185 WeakPolarHBondContact O-CG2 3.46Å; V141-V185 PolarHBondContact O-N 2.79Å; V143-V185 HydrophobicContact CG1-CG2 4.11Å; V143-V185 HydrophobicContact CG2-CG1 4.04Å; V143-V185 HydrophobicContact CG2-CG2 4.3Å; V185-E190 WeakPolarHBondContact CA-OE2 3.07Å; V185-E190 HydrophobicContact CB-CB 4.35Å; V185-E190 HydrophobicContact CG1-CB 3.96Å; V185-I191 HydrophobicContact CB-CG1 4.03Å; V185-I191 HydrophobicContact CG1-CG1 4.13Å; V185-I191 HydrophobicContact CG2-CD1 3.87Å; V185-I191 HydrophobicContact CG2-CG1 3.65Å; V185-L194 HydrophobicContact CG1-CD1 3.69Å |
| 186 | I | 85.3 | Confident | 86.9 | Confident | 144 Ų | 144 | 59.9 Ų | 59.9 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -112.6 | -8.4 | -179.3 | 62.9 | 169.6 | 0 | 0 | 0 | 113.2 | F125 E190 | F125-I186 VanDerWaalsContact CE1-C 3.4Å; F125-I186 VanDerWaalsContact CE1-O 3.32Å; F125-I186 WeakPolarHBondContact CE1-O 3.23Å; I186-E190 WeakPolarHBondContact CG1-OE1 3.43Å; I186-E190 WeakPolarHBondContact CG1-OE2 3.45Å; I186-E190 PolarHBondContact N-OE2 3.49Å |
| 187 | S | 85 | Confident | 86.8 | Confident | 29 Ų | 29 | 58 Ų | 58 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -138.7 | 159.1 | -179 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | F125 D189 E190 I191 | F125-S187 WeakPolarHBondContact CE2-O 2.93Å; S187-D189 PolarHBondContact O-N 3.36Å; S187-E190 PolarHBondContact N-OE2 3.35Å; S187-E190 WeakPolarHBondContact OG-CG 3.35Å; S187-E190 PolarHBondContact OG-N 3.11Å; S187-E190 PolarHBondContact OG-OE1 3.13Å; S187-I191 PolarHBondContact O-N 3.27Å |
| 188 | F | 91.3 | Very high | 86.6 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -34 | 169.5 | 165.7 | -102.6 | 0 | 0 | 0 | 111.4 | P118 C121 R122 F125 I191 N192 | P118-F188 HydrophobicContact CB-CE2 4.36Å; P118-F188 VanDerWaalsContact O-CE2 3.3Å; P118-F188 WeakPolarHBondContact O-CE2 3.25Å; C121-F188 HydrophobicContact CB-CD2 3.95Å; C121-F188 HydrophobicContact CB-CE2 4.22Å; R122-F188 HydrophobicContact CB-CD2 3.7Å; R122-F188 HydrophobicContact CB-CE2 3.91Å; R122-F188 HydrophobicContact CB-CG 4.08Å; R122-F188 HydrophobicContact CB-CZ 4.47Å; R122-F188 HydrophobicContact CG-CD2 4.48Å; R122-F188 HydrophobicContact CG-CG 4.39Å; R122-F188 VanDerWaalsContact NH2-CZ 3.32Å; F125-F188 HydrophobicContact CD2-CB 4.26Å; F188-I191 PolarHBondContact O-N 3.42Å; F188-N192 HydrophobicContact CE1-CB 4.26Å; F188-N192 HydrophobicContact CE2-CB 4.49Å; F188-N192 HydrophobicContact CZ-CB 4.1Å; F188-N192 WeakPolarHBondContact O-CB 3.19Å; F188-N192 PolarHBondContact O-N 3.02Å |
| 189 | D | 89.8 | Confident | 86.5 | Confident | 107 Ų | 107 | 58 Ų | 58 | 57% | 0.572 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.2 | -40.9 | -173.9 | -54.9 | -50.3 | 0 | 0 | 0 | 111 | S187 I191 N192 E193 | S187-D189 PolarHBondContact O-N 3.36Å; D189-I191 PolarHBondContact O-N 3.01Å; D189-N192 WeakPolarHBondContact O-CB 3.48Å; D189-N192 PolarHBondContact O-N 3.33Å; D189-N192 VanDerWaalsContact O-N 3.11Å; D189-E193 PolarHBondContact O-N 3.41Å |
| 190 | E | 88.1 | Confident | 86.3 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 169.8 | -74 | 150.5 | -132.4 | 0 | 0 | 112.7 | V185 I186 S187 N192 E193 L194 | V185-E190 WeakPolarHBondContact CA-OE2 3.07Å; V185-E190 HydrophobicContact CB-CB 4.35Å; V185-E190 HydrophobicContact CG1-CB 3.96Å; I186-E190 WeakPolarHBondContact CG1-OE1 3.43Å; I186-E190 WeakPolarHBondContact CG1-OE2 3.45Å; I186-E190 PolarHBondContact N-OE2 3.49Å; S187-E190 PolarHBondContact N-OE2 3.35Å; S187-E190 WeakPolarHBondContact OG-CG 3.35Å; S187-E190 PolarHBondContact OG-N 3.11Å; S187-E190 PolarHBondContact OG-OE1 3.13Å; E190-N192 VanDerWaalsContact C-N 3.28Å; E190-N192 PolarHBondContact O-N 3.48Å; E190-E193 PolarHBondContact O-N 2.91Å; E190-L194 WeakPolarHBondContact O-CG 3.26Å; E190-L194 PolarHBondContact O-N 3.2Å |
| 191 | I | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 173.4 | -73.3 | -172.3 | 0 | 0 | 0 | 110.4 | C121 F125 V141 V143 V185 S187 F188 D189 L194 I195 F220 | C121-I191 HydrophobicContact CB-CD1 4.22Å; C121-I191 HydrophobicContact CB-CG2 3.82Å; F125-I191 HydrophobicContact CD2-CD1 4.46Å; F125-I191 HydrophobicContact CE2-CD1 3.6Å; F125-I191 HydrophobicContact CE2-CG1 4.17Å; F125-I191 HydrophobicContact CZ-CD1 4.41Å; V141-I191 HydrophobicContact CG1-CD1 4.4Å; V143-I191 HydrophobicContact CG1-CD1 3.73Å; V143-I191 HydrophobicContact CG1-CG1 3.93Å; V185-I191 HydrophobicContact CB-CG1 4.03Å; V185-I191 HydrophobicContact CG1-CG1 4.13Å; V185-I191 HydrophobicContact CG2-CD1 3.87Å; V185-I191 HydrophobicContact CG2-CG1 3.65Å; S187-I191 PolarHBondContact O-N 3.27Å; F188-I191 PolarHBondContact O-N 3.42Å; D189-I191 PolarHBondContact O-N 3.01Å; I191-L194 PolarHBondContact O-N 2.99Å; I191-I195 HydrophobicContact CG2-CD1 3.6Å; I191-I195 HydrophobicContact CG2-CG1 4.22Å; I191-I195 WeakPolarHBondContact O-CB 3.46Å; I191-I195 VanDerWaalsContact O-CG1 3.28Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 3.21Å; I191-F220 HydrophobicContact CG2-CZ 3.96Å |
| 192 | N | 89.4 | Confident | 85.5 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 32% | 0.316 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | -178.6 | -168.5 | 85.8 | 0 | 0 | 0 | 111.4 | F188 D189 E190 I195 D196 | F188-N192 HydrophobicContact CE1-CB 4.26Å; F188-N192 HydrophobicContact CE2-CB 4.49Å; F188-N192 HydrophobicContact CZ-CB 4.1Å; F188-N192 WeakPolarHBondContact O-CB 3.19Å; F188-N192 PolarHBondContact O-N 3.02Å; D189-N192 WeakPolarHBondContact O-CB 3.48Å; D189-N192 PolarHBondContact O-N 3.33Å; D189-N192 VanDerWaalsContact O-N 3.11Å; E190-N192 VanDerWaalsContact C-N 3.28Å; E190-N192 PolarHBondContact O-N 3.48Å; N192-I195 PolarHBondContact O-N 3.16Å; N192-D196 WeakPolarHBondContact O-CB 3.31Å; N192-D196 PolarHBondContact O-N 3.3Å |
| 193 | E | 87.8 | Confident | 84.3 | Confident | 138 Ų | 138 | 53 Ų | 53 | 65% | 0.645 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 171.3 | -73 | -172.2 | -178.6 | 0 | 0 | 112.4 | D189 E190 D196 V197 | D189-E193 PolarHBondContact O-N 3.41Å; E190-E193 PolarHBondContact O-N 2.91Å; E193-D196 CarbonylContact O-C 3.59Å; E193-D196 WeakPolarHBondContact O-CB 3.28Å; E193-D196 PolarHBondContact O-N 2.81Å; E193-D196 VanDerWaalsContact O-N 3.13Å; E193-V197 WeakPolarHBondContact O-CG2 3.16Å; E193-V197 PolarHBondContact O-N 3.36Å |
| 194 | L | 89.2 | Confident | 82.8 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 177.9 | -70.3 | 169.2 | 0 | 0 | 0 | 112.7 | V143 L157 C183 V185 E190 I191 D196 V197 G198 | V143-L194 HydrophobicContact CG2-CD1 3.57Å; L157-L194 HydrophobicContact CD2-CB 3.99Å; L157-L194 HydrophobicContact CD2-CD2 4.22Å; L157-L194 WeakPolarHBondContact CD2-O 3.32Å; C183-L194 HydrophobicContact CB-CD1 3.53Å; C183-L194 HydrophobicContact CB-CD2 4.42Å; V185-L194 HydrophobicContact CG1-CD1 3.69Å; E190-L194 WeakPolarHBondContact O-CG 3.26Å; E190-L194 PolarHBondContact O-N 3.2Å; I191-L194 PolarHBondContact O-N 2.99Å; L194-D196 VanDerWaalsContact C-N 3.31Å; L194-V197 PolarHBondContact O-N 3.46Å; L194-G198 PolarHBondContact O-N 3.47Å |
| 195 | I | 88.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 169.4 | -76.3 | 169 | 0 | 0 | 0 | 110.1 | M105 I117 I191 N192 G198 N199 F220 | M105-I195 HydrophobicContact CE-CG2 3.77Å; M105-I195 HydrophobicContact SD-CG2 3.49Å; M105-I195 WeakPolarHBondContact SD-CG2 3.4Å; I117-I195 HydrophobicContact CG2-CD1 3.66Å; I117-I195 HydrophobicContact CG2-CG1 4.49Å; I191-I195 HydrophobicContact CG2-CD1 3.6Å; I191-I195 HydrophobicContact CG2-CG1 4.22Å; I191-I195 WeakPolarHBondContact O-CB 3.46Å; I191-I195 VanDerWaalsContact O-CG1 3.28Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 3.21Å; N192-I195 PolarHBondContact O-N 3.16Å; I195-G198 PolarHBondContact O-N 3.15Å; I195-N199 VanDerWaalsContact CG2-ND2 3.32Å; I195-N199 WeakPolarHBondContact CG2-ND2 3.39Å; I195-N199 VanDerWaalsContact O-CB 3.28Å; I195-N199 WeakPolarHBondContact O-CB 3.26Å; I195-N199 VanDerWaalsContact O-CG 3.24Å; I195-N199 PolarHBondContact O-N 2.91Å; I195-N199 PolarHBondContact O-ND2 2.75Å; I195-N199 VanDerWaalsContact O-ND2 3.09Å; I195-F220 HydrophobicContact CD1-CE2 4.27Å; I195-F220 HydrophobicContact CD1-CZ 4.04Å; I195-F220 HydrophobicContact CG1-CD2 4.23Å; I195-F220 HydrophobicContact CG1-CE2 3.59Å; I195-F220 HydrophobicContact CG1-CZ 3.86Å |
| 196 | D | 85.2 | Confident | 79 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | -179.7 | -122.3 | 38.1 | 0 | 0 | 0 | 112.4 | N192 E193 L194 K200 | N192-D196 WeakPolarHBondContact O-CB 3.31Å; N192-D196 PolarHBondContact O-N 3.3Å; E193-D196 CarbonylContact O-C 3.59Å; E193-D196 WeakPolarHBondContact O-CB 3.28Å; E193-D196 PolarHBondContact O-N 2.81Å; E193-D196 VanDerWaalsContact O-N 3.13Å; L194-D196 VanDerWaalsContact C-N 3.31Å; D196-K200 WeakPolarHBondContact O-CD 3.36Å; D196-K200 VanDerWaalsContact O-CE 3.24Å; D196-K200 WeakPolarHBondContact O-CE 3.41Å; D196-K200 WeakPolarHBondContact O-CG 3.45Å; D196-K200 PolarHBondContact O-N 2.76Å; D196-K200 WeakPolarHBondContact OD2-CE 3.48Å; D196-K200 IonicContact OD2-NZ 2.66Å; D196-K200 PolarHBondContact OD2-NZ 2.86Å |
| 197 | V | 84.8 | Confident | 77 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.2 | -50.8 | 171.5 | 169 | 0 | 0 | 0 | 0 | 110.4 | P159 E193 L194 N199 K200 A201 | P159-V197 HydrophobicContact CG-CG1 4.43Å; E193-V197 WeakPolarHBondContact O-CG2 3.16Å; E193-V197 PolarHBondContact O-N 3.36Å; L194-V197 PolarHBondContact O-N 3.46Å; V197-N199 PolarHBondContact O-N 3.14Å; V197-K200 WeakPolarHBondContact O-CB 3.49Å; V197-K200 PolarHBondContact O-N 2.77Å; V197-K200 VanDerWaalsContact O-N 3.11Å; V197-A201 PolarHBondContact O-N 2.74Å |
| 198 | G | 84.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.4 | -35 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L156 L194 I195 K200 A201 R202 | L156-G198 VanDerWaalsContact O-CA 3.29Å; L156-G198 WeakPolarHBondContact O-CA 3.47Å; L194-G198 PolarHBondContact O-N 3.47Å; I195-G198 PolarHBondContact O-N 3.15Å; G198-K200 VanDerWaalsContact C-N 3.28Å; G198-K200 PolarHBondContact O-N 2.86Å; G198-A201 PolarHBondContact O-N 2.99Å; G198-A201 VanDerWaalsContact O-N 3.15Å; G198-R202 PolarHBondContact O-N 3Å |
| 199 | N | 81.9 | Confident | 73.2 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -33.5 | 171.1 | -78.8 | -38 | 0 | 0 | 0 | 112.3 | Y145 I195 V197 | Y145-N199 PolarHBondContact OH-OD1 3.48Å; I195-N199 VanDerWaalsContact CG2-ND2 3.32Å; I195-N199 WeakPolarHBondContact CG2-ND2 3.39Å; I195-N199 VanDerWaalsContact O-CB 3.28Å; I195-N199 WeakPolarHBondContact O-CB 3.26Å; I195-N199 VanDerWaalsContact O-CG 3.24Å; I195-N199 PolarHBondContact O-N 2.91Å; I195-N199 PolarHBondContact O-ND2 2.75Å; I195-N199 VanDerWaalsContact O-ND2 3.09Å; V197-N199 PolarHBondContact O-N 3.14Å |
| 200 | K | 78.8 | Confident | 71.3 | Confident | 147 Ų | 147 | 55.1 Ų | 55.1 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -76.2 | -26.9 | 173.6 | -67 | 156.7 | -160.2 | 157.8 | 0 | 112.3 | D196 V197 G198 | D196-K200 WeakPolarHBondContact O-CD 3.36Å; D196-K200 VanDerWaalsContact O-CE 3.24Å; D196-K200 WeakPolarHBondContact O-CE 3.41Å; D196-K200 WeakPolarHBondContact O-CG 3.45Å; D196-K200 PolarHBondContact O-N 2.76Å; D196-K200 WeakPolarHBondContact OD2-CE 3.48Å; D196-K200 IonicContact OD2-NZ 2.66Å; D196-K200 PolarHBondContact OD2-NZ 2.86Å; V197-K200 WeakPolarHBondContact O-CB 3.49Å; V197-K200 PolarHBondContact O-N 2.77Å; V197-K200 VanDerWaalsContact O-N 3.11Å; G198-K200 VanDerWaalsContact C-N 3.28Å; G198-K200 PolarHBondContact O-N 2.86Å |
| 201 | A | 77.3 | Confident | 69.2 | Low | 16 Ų | 16 | 58.3 Ų | 58.3 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -84.2 | -26.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R154 L156 V197 G198 | R154-A201 PolarHBondContact NH1-O 2.57Å; R154-A201 PolarHBondContact NH2-O 2.88Å; L156-A201 HydrophobicContact CD2-CB 4.17Å; V197-A201 PolarHBondContact O-N 2.74Å; G198-A201 PolarHBondContact O-N 2.99Å; G198-A201 VanDerWaalsContact O-N 3.15Å |
| 202 | R | 77.4 | Confident | 67.2 | Low | 17 Ų | 17 | 62.6 Ų | 62.6 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -54.2 | 143.3 | -176.2 | -166.7 | 177.2 | -179.3 | 176 | -0.2 | 112.4 | E147 L156 G198 V204 S213 S216 A218 D247 | E147-R202 WeakPolarHBondContact OE2-CG 3.49Å; L156-R202 HydrophobicContact CD2-CB 4.2Å; G198-R202 PolarHBondContact O-N 3Å; R202-V204 VanDerWaalsContact O-CG2 3.22Å; R202-V204 WeakPolarHBondContact O-CG2 3.1Å; R202-V204 PolarHBondContact O-N 2.95Å; R202-S213 PolarHBondContact NH2-O 3.3Å; R202-S216 PolarHBondContact NE-OG 2.73Å; R202-S216 PolarHBondContact NH2-O 3.49Å; R202-A218 VanDerWaalsContact CZ-CB 3.48Å; R202-D247 IonicContact CZ-OD2 3.42Å; R202-D247 IonicContact NH1-OD2 3.4Å; R202-D247 PolarHBondContact NH1-OD2 3.03Å; R202-D247 IonicContact NH2-OD2 3.2Å; R202-D247 PolarHBondContact NH2-OD2 2.96Å |
| 203 | T | 61.1 | Low | 65.7 | Low | 45 Ų | 45 | 61.5 Ų | 61.5 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | trans | -66.1 | 103.9 | -173.3 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | E147 Y149 | E147-T203 VanDerWaalsContact CD-N 3.34Å; E147-T203 WeakPolarHBondContact OE1-CB 3.26Å; E147-T203 PolarHBondContact OE1-N 2.95Å; E147-T203 PolarHBondContact OE1-OG1 3.02Å; E147-T203 WeakPolarHBondContact OE2-CB 3.2Å; E147-T203 PolarHBondContact OE2-N 2.94Å; Y149-T203 HydrophobicContact CD1-CG2 4.2Å; Y149-T203 HydrophobicContact CE1-CG2 3.96Å; Y149-T203 HydrophobicContact CE2-CG2 4.46Å | ||
| 204 | V | 53.1 | Low | 64.5 | Low | 100 Ų | 100 | 55.5 Ų | 55.5 | 61% | 0.606 | 31% | 0.31 | S | S | * | . | trans | -85.6 | 112.9 | -176.9 | -162.4 | 0 | 0 | 0 | 0 | 110.8 | R202 T212 | R202-V204 VanDerWaalsContact O-CG2 3.22Å; R202-V204 WeakPolarHBondContact O-CG2 3.1Å; R202-V204 PolarHBondContact O-N 2.95Å; V204-T212 HydrophobicContact CG1-CG2 4.03Å | ||
| 205 | A | 47 | Very low | 63.6 | Low | 28 Ų | 28 | 54.9 Ų | 54.9 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | trans | -132.1 | 122.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 206 | A | 43.4 | Very low | 63.3 | Low | 43 Ų | 43 | 54.8 Ų | 54.8 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | trans | -74.3 | 141.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E211 R263 | A206-E211 HydrophobicContact CB-CG 4.03Å; A206-E211 VanDerWaalsContact CB-OE1 3.32Å; A206-E211 WeakPolarHBondContact CB-OE1 3.23Å; A206-R263 PolarHBondContact O-NH2 2.75Å | ||
| 207 | T | 44.5 | Very low | 63.5 | Low | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -141.5 | 155.9 | 173 | 77.1 | 0 | 0 | 0 | 0 | 110.7 | M209 N210 R215 | T207-M209 PolarHBondContact O-N 2.9Å; T207-M209 PolarHBondContact OG1-N 2.78Å; T207-N210 PolarHBondContact N-O 2.88Å; T207-N210 CarbonylContact O-C 3.5Å; T207-N210 PolarHBondContact O-N 3.09Å; T207-N210 PolarHBondContact OG1-N 2.99Å; T207-N210 VanDerWaalsContact OG1-N 3.12Å; T207-N210 PolarHBondContact OG1-O 3.26Å; T207-R215 VanDerWaalsContact CG2-NE 3.33Å |
| 208 | N | 47.4 | Very low | 63.9 | Low | 169 Ų | 169 | 49.8 Ų | 49.8 | 90% | 0.904 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -5 | 175 | -69.2 | 8.6 | 0 | 0 | 0 | 114.2 | ||
| 209 | M | 49.1 | Very low | 64.3 | Low | 39 Ų | 39 | 50.1 Ų | 50.1 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -26.4 | -180 | -153 | 179.5 | -61.6 | 0 | 0 | 113.7 | T96 T207 E252 A256 T257 | T96-M209 HydrophobicContact CG2-CG 4.49Å; T207-M209 PolarHBondContact O-N 2.9Å; T207-M209 PolarHBondContact OG1-N 2.78Å; M209-E252 HydrophobicContact CE-CG 4.47Å; M209-E252 HydrophobicContact SD-CG 4.13Å; M209-A256 HydrophobicContact CE-CB 4.13Å; M209-A256 WeakPolarHBondContact CE-O 3.49Å; M209-T257 HydrophobicContact CE-CG2 4.2Å |
| 210 | N | 49.2 | Very low | 64.9 | Low | 72 Ų | 72 | 47.5 Ų | 47.5 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -176 | 165.6 | 163.4 | -94.7 | -51 | 0 | 0 | 0 | 110.4 | T96 G97 T207 | T96-N210 HydrophobicContact CG2-CB 3.73Å; G97-N210 WeakPolarHBondContact CA-ND2 3.49Å; T207-N210 PolarHBondContact N-O 2.88Å; T207-N210 CarbonylContact O-C 3.5Å; T207-N210 PolarHBondContact O-N 3.09Å; T207-N210 PolarHBondContact OG1-N 2.99Å; T207-N210 VanDerWaalsContact OG1-N 3.12Å; T207-N210 PolarHBondContact OG1-O 3.26Å |
| 211 | E | 44.4 | Very low | 65.7 | Low | 130 Ų | 130 | 41.1 Ų | 41.1 | 61% | 0.607 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -108.9 | 167.3 | 172.4 | -56.4 | -172.9 | 126.9 | 0 | 0 | 111.5 | A206 S213 | A206-E211 HydrophobicContact CB-CG 4.03Å; A206-E211 VanDerWaalsContact CB-OE1 3.32Å; A206-E211 WeakPolarHBondContact CB-OE1 3.23Å; E211-S213 PolarHBondContact O-N 2.8Å; E211-S213 VanDerWaalsContact O-N 3.17Å |
| 212 | T | 47.8 | Very low | 66.5 | Low | 89 Ų | 89 | 40.3 Ų | 40.3 | 55% | 0.546 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 69.9 | -47.4 | 171.5 | 78.5 | 0 | 0 | 0 | 0 | 122 | V204 | V204-T212 HydrophobicContact CG1-CG2 4.03Š|
| 213 | S | 57.4 | Low | 67.3 | Low | 37 Ų | 37 | 40.7 Ų | 40.7 | 26% | 0.259 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -119.9 | -6.8 | -170.6 | 78.2 | 0 | 0 | 0 | 0 | 118.1 | S101 R202 E211 R215 | S101-S213 PolarHBondContact OG-OG 3.36Å; S101-S213 VanDerWaalsContact OG-OG 3.05Å; R202-S213 PolarHBondContact NH2-O 3.3Å; E211-S213 PolarHBondContact O-N 2.8Å; E211-S213 VanDerWaalsContact O-N 3.17Å; S213-R215 PolarHBondContact O-N 2.79Å |
| 214 | S | 63.1 | Low | 68.8 | Low | 11 Ų | 11 | 38.6 Ų | 38.6 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -19.2 | -160.5 | 49.7 | 0 | 0 | 0 | 0 | 117.3 | T96 A249 G250 | T96-S214 WeakPolarHBondContact OG1-CB 3.37Å; S214-A249 WeakPolarHBondContact O-CA 3.48Å; S214-G250 PolarHBondContact O-N 2.85Å |
| 215 | R | 69.4 | Low | 70.4 | Confident | 22 Ų | 22 | 34.1 Ų | 34.1 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -9.2 | -162.3 | -69.2 | -167.2 | 168.5 | -149.4 | -10.6 | 116.9 | Y149 T207 S213 E266 I270 | Y149-R215 WeakPolarHBondContact CD2-O 3.4Å; Y149-R215 HydrophobicContact CE2-CB 4Å; T207-R215 VanDerWaalsContact CG2-NE 3.33Å; S213-R215 PolarHBondContact O-N 2.79Å; R215-E266 IonicContact CZ-OE2 3.78Å; R215-E266 IonicContact NH1-OE2 2.81Å; R215-E266 PolarHBondContact NH1-OE2 3.32Å; R215-I270 HydrophobicContact CB-CD1 3.79Å; R215-I270 HydrophobicContact CG-CD1 3.92Å; R215-I270 WeakPolarHBondContact O-CD1 3.16Å; R215-I270 WeakPolarHBondContact O-CG1 3.42Å |
| 216 | S | 82.5 | Confident | 72.4 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -118.7 | 141.5 | 172.9 | 66 | 0 | 0 | 0 | 0 | 110.9 | E147 R202 A218 | E147-S216 VanDerWaalsContact OE2-CB 3.31Å; E147-S216 WeakPolarHBondContact OE2-CB 3.23Å; E147-S216 PolarHBondContact OE2-OG 2.76Å; R202-S216 PolarHBondContact NE-OG 2.73Å; R202-S216 PolarHBondContact NH2-O 3.49Å; S216-A218 PolarHBondContact O-N 2.75Å |
| 217 | H | 90.1 | Very high | 74.3 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 117.8 | 170.4 | -46.2 | -79.9 | 0 | 0 | 0 | 107.7 | E147 I148 D247 L248 A249 S273 L305 | E147-H217 CarbonylContact C-O 3.55Å; E147-H217 WeakPolarHBondContact CA-O 3.33Å; I148-H217 HydrophobicContact CB-CB 4.27Å; I148-H217 PolarHBondContact N-O 2.76Å; I148-H217 PolarHBondContact O-N 2.77Å; H217-D247 WeakPolarHBondContact CA-O 3.49Å; H217-L248 HydrophobicContact CB-CD2 4.23Å; H217-A249 PolarHBondContact ND1-N 3.07Å; H217-S273 PolarHBondContact NE2-OG 3.34Å; H217-L305 HydrophobicContact CB-CD1 4.18Å |
| 218 | A | 91.7 | Very high | 75.9 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y145 M146 R202 S216 V246 D247 | Y145-A218 HydrophobicContact CE2-CB 3.94Å; M146-A218 WeakPolarHBondContact O-CA 3.45Å; R202-A218 VanDerWaalsContact CZ-CB 3.48Å; S216-A218 PolarHBondContact O-N 2.75Å; A218-V246 WeakPolarHBondContact O-CA 3.41Å; A218-D247 HydrophobicContact CB-CB 4.5Å; A218-D247 PolarHBondContact N-O 2.87Å; A218-D247 PolarHBondContact O-N 3.35Å |
| 219 | V | 93.8 | Very high | 77 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 107 | 179.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | M146 I148 V246 | M146-V219 HydrophobicContact CE-CB 3.76Å; M146-V219 HydrophobicContact CE-CG1 3.64Å; M146-V219 HydrophobicContact CE-CG2 4.31Å; M146-V219 HydrophobicContact CG-CB 3.93Å; M146-V219 PolarHBondContact N-O 2.95Å; M146-V219 VanDerWaalsContact N-O 3.08Å; M146-V219 PolarHBondContact O-N 2.79Å; I148-V219 HydrophobicContact CD1-CG2 4.32Å; V219-V246 HydrophobicContact CG1-CG2 4.23Å; V219-V246 HydrophobicContact CG2-CG1 4.14Å; V219-V246 HydrophobicContact CG2-CG2 4.25Å |
| 220 | F | 95.1 | Very high | 77.7 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.7 | 171.4 | -174.4 | -96.7 | 0 | 0 | 0 | 108.3 | I117 V143 Y145 I191 I195 I222 L245 | I117-F220 HydrophobicContact CD1-CB 4.48Å; I117-F220 HydrophobicContact CG2-CD1 3.83Å; I117-F220 HydrophobicContact CG2-CE1 3.97Å; I117-F220 HydrophobicContact CG2-CG 4.35Å; V143-F220 HydrophobicContact CB-CE2 4.4Å; V143-F220 HydrophobicContact CB-CZ 4.04Å; V143-F220 HydrophobicContact CG1-CE1 4.36Å; V143-F220 HydrophobicContact CG1-CZ 3.87Å; Y145-F220 HydrophobicContact CD1-CD2 4.04Å; Y145-F220 HydrophobicContact CD2-CB 3.77Å; Y145-F220 AromaticContact CD2-CD2 3.83Å; Y145-F220 HydrophobicContact CD2-CD2 3.83Å; Y145-F220 HydrophobicContact CD2-CG 4.32Å; Y145-F220 HydrophobicContact CE2-CB 3.91Å; Y145-F220 HydrophobicContact CE2-CD2 4.34Å; Y145-F220 HydrophobicContact CG-CB 4.48Å; Y145-F220 AromaticContact CG-CD2 3.67Å; Y145-F220 HydrophobicContact CG-CD2 3.67Å; Y145-F220 HydrophobicContact CG-CE2 4.49Å; I191-F220 HydrophobicContact CG2-CZ 3.96Å; I195-F220 HydrophobicContact CD1-CE2 4.27Å; I195-F220 HydrophobicContact CD1-CZ 4.04Å; I195-F220 HydrophobicContact CG1-CD2 4.23Å; I195-F220 HydrophobicContact CG1-CE2 3.59Å; I195-F220 HydrophobicContact CG1-CZ 3.86Å; F220-I222 HydrophobicContact CD1-CG1 4.1Å; F220-I222 HydrophobicContact CE1-CD1 4.02Å; F220-I222 HydrophobicContact CE1-CG1 3.6Å; F220-L245 HydrophobicContact CB-CB 4.48Å; F220-L245 HydrophobicContact CD1-CD1 4.38Å; F220-L245 PolarHBondContact N-O 3.01Å; F220-L245 PolarHBondContact O-N 3.18Å |
| 221 | T | 94.5 | Very high | 78.4 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.2 | -176.9 | -46.5 | 0 | 0 | 0 | 0 | 110 | V143 S144 K242 I243 | V143-T221 CarbonylContact C-O 3.59Å; V143-T221 WeakPolarHBondContact CA-O 3.26Å; S144-T221 PolarHBondContact N-O 3.2Å; S144-T221 PolarHBondContact O-N 2.78Å; T221-K242 HydrophobicContact CG2-CG 3.78Å; T221-I243 WeakPolarHBondContact CA-O 3.42Å |
| 222 | I | 95.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.3 | 170.5 | -43.2 | 174.1 | 0 | 0 | 0 | 107.8 | L120 C121 L124 V141 E142 V143 F220 V224 K242 I243 L245 | L120-I222 HydrophobicContact CD2-CD1 3.71Å; C121-I222 VanDerWaalsContact SG-CD1 3.6Å; L124-I222 HydrophobicContact CD2-CG2 3.99Å; V141-I222 HydrophobicContact CG1-CG2 3.53Å; E142-I222 CarbonylContact O-C 3.59Å; E142-I222 WeakPolarHBondContact O-CA 3.31Å; V143-I222 HydrophobicContact CG1-CB 4.49Å; V143-I222 HydrophobicContact CG1-CG1 4.24Å; V143-I222 HydrophobicContact CG1-CG2 4.17Å; F220-I222 HydrophobicContact CD1-CG1 4.1Å; F220-I222 HydrophobicContact CE1-CD1 4.02Å; F220-I222 HydrophobicContact CE1-CG1 3.6Å; I222-V224 HydrophobicContact CG2-CG2 3.89Å; I222-K242 CarbonylContact O-C 3.56Å; I222-K242 WeakPolarHBondContact O-CA 3.21Å; I222-I243 HydrophobicContact CB-CB 4.16Å; I222-I243 HydrophobicContact CB-CD1 4.47Å; I222-I243 HydrophobicContact CB-CG1 4.47Å; I222-I243 HydrophobicContact CD1-CD1 4.49Å; I222-I243 PolarHBondContact N-O 3.39Å; I222-I243 PolarHBondContact O-N 2.88Å; I222-L245 HydrophobicContact CD1-CD1 4.41Å |
| 223 | V | 92.7 | Very high | 79.9 | Confident | 25 Ų | 25 | 28.9 Ų | 28.9 | 15% | 0.152 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.7 | 166.9 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | V141 E142 V240 S241 | V141-V223 CarbonylContact C-O 3.57Å; V141-V223 WeakPolarHBondContact CA-O 3.25Å; E142-V223 HydrophobicContact CB-CB 4.19Å; E142-V223 PolarHBondContact N-O 2.71Å; E142-V223 PolarHBondContact O-N 2.8Å; V223-V240 HydrophobicContact CG1-CG1 3.75Å; V223-S241 CarbonylContact C-O 3.48Å; V223-S241 WeakPolarHBondContact CA-O 3.21Å |
| 224 | V | 92.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 107.7 | 179.2 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | L124 L128 I222 Q226 V240 S241 I243 | L124-V224 HydrophobicContact CD1-CG1 4.28Å; L124-V224 HydrophobicContact CD1-CG2 3.93Å; L124-V224 HydrophobicContact CD2-CG2 3.87Å; L128-V224 HydrophobicContact CD2-CG1 4.24Å; I222-V224 HydrophobicContact CG2-CG2 3.89Å; V224-Q226 HydrophobicContact CG1-CG 4.13Å; V224-V240 WeakPolarHBondContact O-CA 3.34Å; V224-S241 PolarHBondContact N-O 2.95Å; V224-S241 PolarHBondContact O-N 3.48Å; V224-S241 PolarHBondContact O-OG 2.93Å; V224-I243 HydrophobicContact CG2-CD1 4.27Å |
| 225 | T | 88.7 | Confident | 80 | Confident | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.9 | 173.5 | -71.8 | 0 | 0 | 0 | 0 | 109.3 | H139 M140 K227 E238 K239 V240 | H139-T225 WeakPolarHBondContact CA-O 3.39Å; M140-T225 PolarHBondContact N-O 3.36Å; M140-T225 PolarHBondContact O-N 2.85Å; T225-K227 HydrophobicContact CG2-CG 4.42Å; T225-E238 VanDerWaalsContact CG2-CD 3.5Å; T225-E238 HydrophobicContact CG2-CG 3.71Å; T225-E238 WeakPolarHBondContact CG2-OE1 3.17Å; T225-K239 CarbonylContact C-O 3.17Å; T225-K239 WeakPolarHBondContact CA-O 3.27Å; T225-V240 HydrophobicContact CG2-CG2 4.47Å |
| 226 | Q | 87.7 | Confident | 80 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 116.8 | 178.2 | -45.6 | -178.6 | 59.8 | 0 | 0 | 109.3 | L83 I137 Q138 H139 V224 E238 K239 | L83-Q226 PolarHBondContact O-NE2 3.27Å; I137-Q226 HydrophobicContact CG2-CB 4.18Å; Q138-Q226 CarbonylContact O-C 3.52Å; Q138-Q226 WeakPolarHBondContact O-CA 3.48Å; H139-Q226 PolarHBondContact CE1-OE1 3.47Å; V224-Q226 HydrophobicContact CG1-CG 4.13Å; Q226-E238 CarbonylContact O-C 3.59Å; Q226-E238 WeakPolarHBondContact O-CA 3.04Å; Q226-K239 HydrophobicContact CB-CB 4.35Å; Q226-K239 PolarHBondContact N-O 2.85Å; Q226-K239 PolarHBondContact O-N 2.75Å |
| 227 | K | 82.9 | Confident | 79.5 | Confident | 45 Ų | 45 | 32.7 Ų | 32.7 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 103.6 | 174.9 | -57 | 178.1 | -166 | -96.9 | 0 | 108 | I137 Q138 T225 I236 S237 E238 M428 | I137-K227 WeakPolarHBondContact CA-O 3.48Å; Q138-K227 HydrophobicContact CB-CB 4.31Å; Q138-K227 PolarHBondContact N-O 3.3Å; Q138-K227 PolarHBondContact O-N 2.98Å; T225-K227 HydrophobicContact CG2-CG 4.42Å; K227-I236 HydrophobicContact CB-CG2 4.04Å; K227-S237 CarbonylContact C-O 3.51Å; K227-S237 WeakPolarHBondContact CA-O 3.32Å; K227-E238 WeakPolarHBondContact CE-OE2 3.35Å; K227-E238 HydrophobicContact CG-CG 4.14Å; K227-E238 IonicContact NZ-OE2 2.68Å; K227-E238 PolarHBondContact NZ-OE2 3.29Å; K227-M428 HydrophobicContact CD-CE 4.05Å; K227-M428 HydrophobicContact CD-SD 4.31Å; K227-M428 PolarHBondContact NZ-SD 3.31Å |
| 228 | I | 78.3 | Confident | 79.1 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.9 | -178.8 | -59 | 165.5 | 0 | 0 | 0 | 108.1 | I137 D230 S237 K239 | I137-I228 HydrophobicContact CD1-CG1 4.37Å; I137-I228 HydrophobicContact CG1-CG1 4.22Å; I137-I228 HydrophobicContact CG2-CG1 3.73Å; I228-D230 PolarHBondContact O-N 2.76Å; I228-S237 PolarHBondContact N-O 2.93Å; I228-S237 PolarHBondContact O-N 3.2Å; I228-S237 PolarHBondContact O-OG 3.25Å; I228-K239 HydrophobicContact CD1-CD 3.68Å; I228-K239 HydrophobicContact CD1-CG 4.3Å |
| 229 | E | 69.8 | Low | 78.8 | Confident | 79 Ų | 79 | 36.5 Ų | 36.5 | 37% | 0.369 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 107.7 | 170.7 | -173.6 | 174.6 | -162.7 | 0 | 0 | 109.5 | I136 L231 I236 | I136-E229 HydrophobicContact CB-CB 4.19Å; I136-E229 PolarHBondContact O-N 3.43Å; E229-L231 PolarHBondContact O-N 2.67Å; E229-I236 HydrophobicContact CG-CG1 4.46Å |
| 230 | D | 64.1 | Low | 78.6 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 98.4 | 179.4 | -166 | -33.4 | 0 | 0 | 0 | 110.4 | I228 S232 Y233 G234 T235 | I228-D230 PolarHBondContact O-N 2.76Å; D230-S232 PolarHBondContact O-N 2.77Å; D230-S232 VanDerWaalsContact O-N 3.15Å; D230-S232 WeakPolarHBondContact OD1-CB 3.38Å; D230-S232 PolarHBondContact OD1-N 2.84Å; D230-S232 PolarHBondContact OD1-OG 3.38Å; D230-Y233 PolarHBondContact O-N 2.9Å; D230-Y233 WeakPolarHBondContact OD2-CD2 3.47Å; D230-G234 PolarHBondContact O-N 2.9Å; D230-T235 PolarHBondContact N-O 3.49Å; D230-T235 PolarHBondContact O-N 2.71Å |
| 231 | L | 65.6 | Low | 78.4 | Confident | 118 Ų | 118 | 38.6 Ų | 38.6 | 62% | 0.618 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.4 | 177.6 | -72.4 | 166.7 | 0 | 0 | 0 | 113.9 | E229 | E229-L231 PolarHBondContact O-N 2.67Š|
| 232 | S | 61.3 | Low | 78.3 | Confident | 87 Ų | 87 | 40.6 Ų | 40.6 | 61% | 0.608 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -25.8 | -179.5 | 73.6 | 0 | 0 | 0 | 0 | 113.3 | D230 | D230-S232 PolarHBondContact O-N 2.77Å; D230-S232 VanDerWaalsContact O-N 3.15Å; D230-S232 WeakPolarHBondContact OD1-CB 3.38Å; D230-S232 PolarHBondContact OD1-N 2.84Å; D230-S232 PolarHBondContact OD1-OG 3.38Å |
| 233 | Y | 61.1 | Low | 78.4 | Confident | 95 Ų | 95 | 40.6 Ų | 40.6 | 37% | 0.373 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -11.7 | 179.8 | -64.5 | -67 | 0 | 0 | 0 | 114.1 | D230 T235 R364 K367 | D230-Y233 PolarHBondContact O-N 2.9Å; D230-Y233 WeakPolarHBondContact OD2-CD2 3.47Å; Y233-T235 WeakPolarHBondContact CB-OG1 3.22Å; Y233-R364 HydrophobicContact CD2-CG 4.33Å; Y233-R364 HydrophobicContact CE2-CG 4.19Å; Y233-K367 HydrophobicContact CD1-CB 3.88Å; Y233-K367 HydrophobicContact CD1-CD 3.99Å; Y233-K367 HydrophobicContact CE1-CB 4.22Å; Y233-K367 HydrophobicContact CG-CD 4.35Å; Y233-K367 PolarHBondContact O-NZ 3.37Å |
| 234 | G | 61.8 | Low | 78.5 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 64% | 0.639 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 43.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D230 | D230-G234 PolarHBondContact O-N 2.9Š|
| 235 | T | 61.3 | Low | 78.7 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.9 | -174.9 | 34.3 | 0 | 0 | 0 | 0 | 112.1 | D230 Y233 I363 N425 | D230-T235 PolarHBondContact N-O 3.49Å; D230-T235 PolarHBondContact O-N 2.71Å; Y233-T235 WeakPolarHBondContact CB-OG1 3.22Å; T235-I363 HydrophobicContact CG2-CB 4.18Å; T235-I363 HydrophobicContact CG2-CD1 4.15Å; T235-I363 HydrophobicContact CG2-CG2 3.5Å; T235-N425 WeakPolarHBondContact CG2-OD1 3.5Å |
| 236 | I | 69 | Low | 79 | Confident | 75 Ų | 75 | 39.4 Ų | 39.4 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.2 | 166.1 | -55.2 | 170.7 | 0 | 0 | 0 | 107.2 | K227 E229 | K227-I236 HydrophobicContact CB-CG2 4.04Å; E229-I236 HydrophobicContact CG-CG1 4.46Å |
| 237 | S | 72 | Confident | 79.3 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.6 | 177.1 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | K227 I228 | K227-S237 CarbonylContact C-O 3.51Å; K227-S237 WeakPolarHBondContact CA-O 3.32Å; I228-S237 PolarHBondContact N-O 2.93Å; I228-S237 PolarHBondContact O-N 3.2Å; I228-S237 PolarHBondContact O-OG 3.25Å |
| 238 | E | 80.9 | Confident | 79.8 | Confident | 55 Ų | 55 | 37.2 Ų | 37.2 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.4 | -178.9 | -168.8 | 166.6 | 141.7 | 0 | 0 | 111.2 | T225 Q226 K227 V240 E356 D357 | T225-E238 VanDerWaalsContact CG2-CD 3.5Å; T225-E238 HydrophobicContact CG2-CG 3.71Å; T225-E238 WeakPolarHBondContact CG2-OE1 3.17Å; Q226-E238 CarbonylContact O-C 3.59Å; Q226-E238 WeakPolarHBondContact O-CA 3.04Å; K227-E238 WeakPolarHBondContact CE-OE2 3.35Å; K227-E238 HydrophobicContact CG-CG 4.14Å; K227-E238 IonicContact NZ-OE2 2.68Å; K227-E238 PolarHBondContact NZ-OE2 3.29Å; E238-V240 HydrophobicContact CG-CG2 4.06Å; E238-E356 CarbonylContact O-C 3.59Å; E238-E356 WeakPolarHBondContact O-CA 3.03Å; E238-D357 HydrophobicContact CB-CB 4.34Å; E238-D357 PolarHBondContact O-N 3.1Å |
| 239 | K | 86.5 | Confident | 80.3 | Confident | 30 Ų | 30 | 36.5 Ų | 36.5 | 13% | 0.13 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.1 | 169.7 | -70 | 178.1 | 179.1 | -83.2 | 0 | 109.6 | E84 T225 Q226 I228 N355 E356 | E84-K239 PolarHBondContact O-NZ 2.75Å; T225-K239 CarbonylContact C-O 3.17Å; T225-K239 WeakPolarHBondContact CA-O 3.27Å; Q226-K239 HydrophobicContact CB-CB 4.35Å; Q226-K239 PolarHBondContact N-O 2.85Å; Q226-K239 PolarHBondContact O-N 2.75Å; I228-K239 HydrophobicContact CD1-CD 3.68Å; I228-K239 HydrophobicContact CD1-CG 4.3Å; K239-N355 WeakPolarHBondContact CA-O 3.35Å; K239-E356 WeakPolarHBondContact CE-OE1 3.35Å; K239-E356 HydrophobicContact CG-CG 3.58Å; K239-E356 IonicContact NZ-OE1 3.79Å; K239-E356 PolarHBondContact NZ-OE1 2.92Å |
| 240 | V | 88.7 | Confident | 81 | Confident | 51 Ų | 51 | 32.8 Ų | 32.8 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 106.7 | -179.6 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | V223 V224 T225 E238 N355 | V223-V240 HydrophobicContact CG1-CG1 3.75Å; V224-V240 WeakPolarHBondContact O-CA 3.34Å; T225-V240 HydrophobicContact CG2-CG2 4.47Å; E238-V240 HydrophobicContact CG-CG2 4.06Å; V240-N355 PolarHBondContact N-O 3.49Å; V240-N355 WeakPolarHBondContact O-CB 3.42Å; V240-N355 PolarHBondContact O-ND2 2.87Å |
| 241 | S | 92.4 | Very high | 82 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135 | 177.3 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | A82 Y86 V223 V224 | A82-S241 WeakPolarHBondContact O-CB 3.08Å; A82-S241 PolarHBondContact O-OG 3.03Å; Y86-S241 WeakPolarHBondContact O-CB 3.39Å; V223-S241 CarbonylContact C-O 3.48Å; V223-S241 WeakPolarHBondContact CA-O 3.21Å; V224-S241 PolarHBondContact N-O 2.95Å; V224-S241 PolarHBondContact O-N 3.48Å; V224-S241 PolarHBondContact O-OG 2.93Å |
| 242 | K | 92.6 | Very high | 82.5 | Confident | 55 Ų | 55 | 27.6 Ų | 27.6 | 24% | 0.239 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.6 | 176.1 | -178.1 | -178.5 | 171.6 | -177.4 | 0 | 109.6 | N87 V88 T221 I222 E311 | N87-K242 VanDerWaalsContact OD1-CB 3.26Å; N87-K242 WeakPolarHBondContact OD1-CB 3.36Å; N87-K242 PolarHBondContact OD1-N 3.15Å; N87-K242 VanDerWaalsContact OD1-N 3.1Å; V88-K242 PolarHBondContact N-O 2.9Å; V88-K242 VanDerWaalsContact O-O 3.07Å; T221-K242 HydrophobicContact CG2-CG 3.78Å; I222-K242 CarbonylContact O-C 3.56Å; I222-K242 WeakPolarHBondContact O-CA 3.21Å; K242-E311 IonicContact NZ-OE2 2.69Å; K242-E311 PolarHBondContact NZ-OE2 3.3Å |
| 243 | I | 95.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 107 | 177.7 | -42.8 | -179.5 | 0 | 0 | 0 | 108.8 | A82 V88 L120 T221 I222 V224 L245 | A82-I243 HydrophobicContact CB-CD1 3.52Å; A82-I243 HydrophobicContact CB-CG1 3.68Å; V88-I243 HydrophobicContact CB-CG2 4.49Å; V88-I243 CarbonylContact O-C 3.54Å; V88-I243 WeakPolarHBondContact O-CA 3.42Å; L120-I243 HydrophobicContact CD1-CG2 4.28Å; L120-I243 HydrophobicContact CD2-CD1 3.99Å; L120-I243 HydrophobicContact CD2-CG2 4.44Å; T221-I243 WeakPolarHBondContact CA-O 3.42Å; I222-I243 HydrophobicContact CB-CB 4.16Å; I222-I243 HydrophobicContact CB-CD1 4.47Å; I222-I243 HydrophobicContact CB-CG1 4.47Å; I222-I243 HydrophobicContact CD1-CD1 4.49Å; I222-I243 PolarHBondContact N-O 3.39Å; I222-I243 PolarHBondContact O-N 2.88Å; V224-I243 HydrophobicContact CG2-CD1 4.27Å; I243-L245 HydrophobicContact CG2-CD1 4.47Å; I243-L245 HydrophobicContact CG2-CD2 3.89Å; I243-L245 HydrophobicContact CG2-CG 4.08Å |
| 244 | S | 95.4 | Very high | 82.5 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 108.2 | -178.7 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | V88 C89 I90 N312 | V88-S244 PolarHBondContact O-N 3.25Å; C89-S244 CarbonylContact C-O 3.54Å; C89-S244 VanDerWaalsContact CA-O 3.26Å; C89-S244 WeakPolarHBondContact CA-O 3.32Å; C89-S244 PolarHBondContact SG-O 2.89Å; I90-S244 PolarHBondContact N-O 2.89Å; S244-N312 PolarHBondContact OG-ND2 3.12Å |
| 245 | L | 96.4 | Very high | 82.4 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.6 | -177.5 | -55.9 | -179.9 | 0 | 0 | 0 | 109.8 | I90 M104 I117 L120 F220 I222 I243 | I90-L245 HydrophobicContact CB-CD2 3.87Å; I90-L245 HydrophobicContact CD1-CD2 3.88Å; I90-L245 HydrophobicContact CG1-CD2 4.02Å; M104-L245 HydrophobicContact CE-CB 3.93Å; I117-L245 HydrophobicContact CB-CD1 4.26Å; I117-L245 HydrophobicContact CD1-CB 4.3Å; I117-L245 HydrophobicContact CG1-CB 3.86Å; I117-L245 HydrophobicContact CG1-CD1 3.74Å; I117-L245 HydrophobicContact CG1-CG 4.41Å; I117-L245 HydrophobicContact CG2-CD1 4.35Å; L120-L245 HydrophobicContact CD1-CD1 4.35Å; L120-L245 HydrophobicContact CD1-CD2 4.38Å; F220-L245 HydrophobicContact CB-CB 4.48Å; F220-L245 HydrophobicContact CD1-CD1 4.38Å; F220-L245 PolarHBondContact N-O 3.01Å; F220-L245 PolarHBondContact O-N 3.18Å; I222-L245 HydrophobicContact CD1-CD1 4.41Å; I243-L245 HydrophobicContact CG2-CD1 4.47Å; I243-L245 HydrophobicContact CG2-CD2 3.89Å; I243-L245 HydrophobicContact CG2-CG 4.08Å |
| 246 | V | 95.6 | Very high | 82 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.6 | -163.7 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | I90 F91 A92 A218 V219 L248 L309 | I90-V246 PolarHBondContact O-N 3.46Å; F91-V246 WeakPolarHBondContact CA-O 3.34Å; F91-V246 HydrophobicContact CB-CB 3.78Å; F91-V246 HydrophobicContact CB-CG1 4.31Å; F91-V246 HydrophobicContact CB-CG2 4.41Å; A92-V246 PolarHBondContact N-O 3.32Å; A218-V246 WeakPolarHBondContact O-CA 3.41Å; V219-V246 HydrophobicContact CG1-CG2 4.23Å; V219-V246 HydrophobicContact CG2-CG1 4.14Å; V219-V246 HydrophobicContact CG2-CG2 4.25Å; V246-L248 HydrophobicContact CG1-CD2 3.52Å; V246-L248 HydrophobicContact CG1-CG 4.02Å; V246-L309 HydrophobicContact CG2-CD2 4.21Å |
| 247 | D | 93.7 | Very high | 81.3 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 95.7 | 170.6 | -179.8 | 47.7 | 0 | 0 | 0 | 108.8 | K100 S101 M104 R202 H217 A218 | K100-D247 WeakPolarHBondContact CB-OD1 3.26Å; S101-D247 VanDerWaalsContact CA-OD1 3.29Å; S101-D247 WeakPolarHBondContact CA-OD1 3.36Å; S101-D247 WeakPolarHBondContact CB-OD2 3.29Å; S101-D247 PolarHBondContact N-OD1 2.85Å; S101-D247 VanDerWaalsContact OG-CG 3.27Å; S101-D247 PolarHBondContact OG-OD1 3.31Å; S101-D247 VanDerWaalsContact OG-OD1 3.08Å; S101-D247 PolarHBondContact OG-OD2 2.94Å; M104-D247 HydrophobicContact CB-CB 4.4Å; M104-D247 HydrophobicContact CG-CB 4.26Å; R202-D247 IonicContact CZ-OD2 3.42Å; R202-D247 IonicContact NH1-OD2 3.4Å; R202-D247 PolarHBondContact NH1-OD2 3.03Å; R202-D247 IonicContact NH2-OD2 3.2Å; R202-D247 PolarHBondContact NH2-OD2 2.96Å; H217-D247 WeakPolarHBondContact CA-O 3.49Å; A218-D247 HydrophobicContact CB-CB 4.5Å; A218-D247 PolarHBondContact N-O 2.87Å; A218-D247 PolarHBondContact O-N 3.35Å |
| 248 | L | 93.2 | Very high | 80.5 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 164.2 | -177.9 | -60.9 | 176.7 | 0 | 0 | 0 | 112.1 | F91 A92 Y93 K100 H217 V246 L274 L277 L305 | F91-L248 HydrophobicContact CD2-CD1 3.91Å; A92-L248 VanDerWaalsContact O-CB 3.29Å; A92-L248 WeakPolarHBondContact O-CB 3.36Å; A92-L248 WeakPolarHBondContact O-CD1 3.4Å; A92-L248 VanDerWaalsContact O-CG 3.31Å; A92-L248 WeakPolarHBondContact O-CG 3.33Å; A92-L248 PolarHBondContact O-N 2.94Å; Y93-L248 HydrophobicContact CD2-CD1 3.9Å; K100-L248 WeakPolarHBondContact CE-O 3.48Å; H217-L248 HydrophobicContact CB-CD2 4.23Å; V246-L248 HydrophobicContact CG1-CD2 3.52Å; V246-L248 HydrophobicContact CG1-CG 4.02Å; L248-L274 HydrophobicContact CB-CD2 4.46Å; L248-L274 HydrophobicContact CD1-CD2 4.3Å; L248-L277 HydrophobicContact CD1-CD2 3.76Å; L248-L305 HydrophobicContact CD2-CD1 3.72Å; L248-L305 HydrophobicContact CD2-CD2 3.75Å; L248-L305 HydrophobicContact CD2-CG 4.35Å |
| 249 | A | 88.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 173.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K100 S214 H217 I270 | K100-A249 WeakPolarHBondContact CE-O 3.45Å; K100-A249 PolarHBondContact NZ-O 2.94Å; S214-A249 WeakPolarHBondContact O-CA 3.48Å; H217-A249 PolarHBondContact ND1-N 3.07Å; A249-I270 HydrophobicContact CB-CG2 3.68Å |
| 250 | G | 84 | Confident | 77.6 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 133.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T96 S214 E252 L274 | T96-G250 WeakPolarHBondContact OG1-CA 3.44Å; S214-G250 PolarHBondContact O-N 2.85Å; G250-E252 VanDerWaalsContact C-N 3.33Å; G250-E252 VanDerWaalsContact C-OE2 3.23Å; G250-E252 WeakPolarHBondContact CA-OE2 3.43Å; G250-L274 WeakPolarHBondContact O-CD1 3.25Å |
| 251 | S | 85.7 | Confident | 76.3 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | trans | -83.5 | -3.1 | 175.3 | 69.9 | 0 | 0 | 0 | 0 | 115 | Y93 G94 Q95 | Y93-S251 WeakPolarHBondContact OH-CB 3.26Å; G94-S251 PolarHBondContact O-N 3.31Å; G94-S251 PolarHBondContact O-OG 2.94Å; Q95-S251 PolarHBondContact N-OG 2.92Å; Q95-S251 VanDerWaalsContact N-OG 3.13Å | ||
| 252 | E | 75.4 | Confident | 74.7 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -70.4 | 146.3 | -175.2 | 67.6 | -75.6 | 178.8 | 0 | 0 | 113.4 | Q95 T96 M209 G250 T257 E334 | Q95-E252 WeakPolarHBondContact CA-OE2 3.44Å; Q95-E252 HydrophobicContact CB-CB 4.45Å; T96-E252 WeakPolarHBondContact CB-OE1 3.2Å; T96-E252 WeakPolarHBondContact CB-OE2 3.27Å; T96-E252 PolarHBondContact N-OE2 3.4Å; T96-E252 VanDerWaalsContact OG1-CD 3.3Å; T96-E252 PolarHBondContact OG1-OE1 2.91Å; T96-E252 PolarHBondContact OG1-OE2 2.92Å; M209-E252 HydrophobicContact CE-CG 4.47Å; M209-E252 HydrophobicContact SD-CG 4.13Å; G250-E252 VanDerWaalsContact C-N 3.33Å; G250-E252 VanDerWaalsContact C-OE2 3.23Å; G250-E252 WeakPolarHBondContact CA-OE2 3.43Å; E252-T257 HydrophobicContact CG-CG2 4.15Å; E252-E334 WeakPolarHBondContact CA-OE1 3.5Å; E252-E334 HydrophobicContact CB-CG 4.44Å |
| 253 | R | 64.9 | Low | 73.4 | Confident | 171 Ų | 171 | 50.2 Ų | 50.2 | 65% | 0.645 | 28% | 0.283 | S | S | * | . | trans | -66.4 | 143.4 | 179.6 | -60.3 | -177.9 | -175.4 | -177.7 | 1.5 | 111.7 | D255 A256 E334 | R253-D255 PolarHBondContact O-N 3.49Å; R253-A256 PolarHBondContact O-N 2.73Å; R253-A256 VanDerWaalsContact O-N 3.16Å; R253-E334 PolarHBondContact N-OE1 3.08Å | ||
| 254 | S | 59.6 | Low | 72 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -44.7 | -41.5 | 178.9 | 36.1 | 0 | 0 | 0 | 0 | 113.5 | A256 T257 | S254-A256 VanDerWaalsContact C-N 3.25Å; S254-A256 PolarHBondContact O-N 3.27Å; S254-T257 WeakPolarHBondContact O-CB 3.35Å; S254-T257 PolarHBondContact O-N 2.66Å; S254-T257 PolarHBondContact O-OG1 3.34Å |
| 255 | D | 57.8 | Low | 70.7 | Confident | 138 Ų | 138 | 61.7 Ų | 61.7 | 74% | 0.738 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -67.4 | -28.7 | -167.7 | -37.9 | -19.9 | 0 | 0 | 0 | 111.4 | R253 T257 | R253-D255 PolarHBondContact O-N 3.49Å; D255-T257 VanDerWaalsContact C-N 3.26Å; D255-T257 PolarHBondContact O-N 3.28Å |
| 256 | A | 53.5 | Low | 69.3 | Low | 66 Ų | 66 | 62.7 Ų | 62.7 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -75.7 | -10.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M209 R253 S254 | M209-A256 HydrophobicContact CE-CB 4.13Å; M209-A256 WeakPolarHBondContact CE-O 3.49Å; R253-A256 PolarHBondContact O-N 2.73Å; R253-A256 VanDerWaalsContact O-N 3.16Å; S254-A256 VanDerWaalsContact C-N 3.25Å; S254-A256 PolarHBondContact O-N 3.27Å |
| 257 | T | 54.9 | Low | 68 | Low | 27 Ų | 27 | 63.1 Ų | 63.1 | 17% | 0.166 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -97.6 | -10.5 | -170.3 | 73.9 | 0 | 0 | 0 | 0 | 115.1 | M209 E252 S254 D255 A259 | M209-T257 HydrophobicContact CE-CG2 4.2Å; E252-T257 HydrophobicContact CG-CG2 4.15Å; S254-T257 WeakPolarHBondContact O-CB 3.35Å; S254-T257 PolarHBondContact O-N 2.66Å; S254-T257 PolarHBondContact O-OG1 3.34Å; D255-T257 VanDerWaalsContact C-N 3.26Å; D255-T257 PolarHBondContact O-N 3.28Å; T257-A259 VanDerWaalsContact C-N 3.29Å; T257-A259 PolarHBondContact O-N 2.88Å; T257-A259 WeakPolarHBondContact OG1-CB 3.44Å |
| 258 | G | 55.3 | Low | 67 | Low | 72 Ų | 72 | 65.4 Ų | 65.4 | 74% | 0.742 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 30 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 259 | A | 52.3 | Low | 66.3 | Low | 18 Ų | 18 | 67.8 Ų | 67.8 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | trans | -86.8 | 123.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T257 R263 | T257-A259 VanDerWaalsContact C-N 3.29Å; T257-A259 PolarHBondContact O-N 2.88Å; T257-A259 WeakPolarHBondContact OG1-CB 3.44Å; A259-R263 HydrophobicContact CB-CB 3.61Å | ||
| 260 | T | 54.6 | Low | 65.6 | Low | 106 Ų | 106 | 68.5 Ų | 68.5 | 65% | 0.65 | 38% | 0.382 | S | S | * | . | trans | -93.5 | 144.7 | 172.5 | 48 | 0 | 0 | 0 | 0 | 112.6 | I262 R263 | T260-I262 PolarHBondContact O-N 2.87Å; T260-R263 WeakPolarHBondContact O-CB 3.38Å; T260-R263 PolarHBondContact O-N 2.98Å | ||
| 261 | D | 59.7 | Low | 65.4 | Low | 131 Ų | 131 | 70.1 Ų | 70.1 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.6 | -87.9 | 173.2 | -63.2 | -23.7 | 0 | 0 | 0 | 117.6 | R263 L264 K265 | D261-R263 VanDerWaalsContact C-N 3.34Å; D261-R263 PolarHBondContact O-N 2.79Å; D261-L264 WeakPolarHBondContact O-CB 3.47Å; D261-L264 PolarHBondContact O-N 2.59Å; D261-L264 VanDerWaalsContact O-N 3.11Å; D261-K265 PolarHBondContact O-N 2.93Å |
| 262 | I | 60.2 | Low | 65.3 | Low | 131 Ų | 131 | 73.6 Ų | 73.6 | 67% | 0.672 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.1 | -47.8 | -178.5 | -56.5 | 176.2 | 0 | 0 | 0 | 109.7 | T260 L264 K265 E266 | T260-I262 PolarHBondContact O-N 2.87Å; I262-L264 PolarHBondContact O-N 3.21Å; I262-K265 PolarHBondContact O-N 2.96Å; I262-K265 VanDerWaalsContact O-N 3.15Å; I262-E266 WeakPolarHBondContact O-CG 3.2Å; I262-E266 PolarHBondContact O-N 2.97Å |
| 263 | R | 63.8 | Low | 66 | Low | 107 Ų | 107 | 72.6 Ų | 72.6 | 40% | 0.404 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67 | -22.3 | 178 | -69.3 | 179.4 | 164.9 | 163.6 | -5.7 | 112.6 | A206 A259 T260 D261 G267 | A206-R263 PolarHBondContact O-NH2 2.75Å; A259-R263 HydrophobicContact CB-CB 3.61Å; T260-R263 WeakPolarHBondContact O-CB 3.38Å; T260-R263 PolarHBondContact O-N 2.98Å; D261-R263 VanDerWaalsContact C-N 3.34Å; D261-R263 PolarHBondContact O-N 2.79Å; R263-G267 PolarHBondContact O-N 3.16Å; R263-G267 VanDerWaalsContact O-N 3.09Å |
| 264 | L | 67.7 | Low | 67.1 | Low | 88 Ų | 88 | 64.8 Ų | 64.8 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -75.3 | -41.2 | 173.8 | -170.9 | 70.5 | 0 | 0 | 0 | 110.9 | D261 I262 G267 A268 | D261-L264 WeakPolarHBondContact O-CB 3.47Å; D261-L264 PolarHBondContact O-N 2.59Å; D261-L264 VanDerWaalsContact O-N 3.11Å; I262-L264 PolarHBondContact O-N 3.21Å; L264-G267 PolarHBondContact O-N 3.03Å; L264-A268 WeakPolarHBondContact O-CB 3.48Å; L264-A268 PolarHBondContact O-N 3.07Å |
| 265 | K | 67.2 | Low | 68.5 | Low | 157 Ų | 157 | 67.2 Ų | 67.2 | 68% | 0.683 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 172.5 | -69.5 | 178.6 | 178.9 | 176.7 | 0 | 112.2 | D261 I262 A268 N269 | D261-K265 PolarHBondContact O-N 2.93Å; I262-K265 PolarHBondContact O-N 2.96Å; I262-K265 VanDerWaalsContact O-N 3.15Å; K265-A268 PolarHBondContact O-N 3.25Å; K265-N269 PolarHBondContact O-N 2.91Å; K265-N269 VanDerWaalsContact O-N 3.13Å; K265-N269 PolarHBondContact O-ND2 3.26Å |
| 266 | E | 67.3 | Low | 70.1 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.4 | -53.5 | 170.6 | -67.1 | 167.4 | -150.6 | 0 | 0 | 111 | Y149 R215 I262 A268 N269 I270 | Y149-E266 WeakPolarHBondContact OH-CG 3.02Å; Y149-E266 PolarHBondContact OH-OE1 3.35Å; Y149-E266 PolarHBondContact OH-OE2 2.89Å; R215-E266 IonicContact CZ-OE2 3.78Å; R215-E266 IonicContact NH1-OE2 2.81Å; R215-E266 PolarHBondContact NH1-OE2 3.32Å; I262-E266 WeakPolarHBondContact O-CG 3.2Å; I262-E266 PolarHBondContact O-N 2.97Å; E266-A268 VanDerWaalsContact C-N 3.28Å; E266-A268 PolarHBondContact O-N 3.43Å; E266-N269 PolarHBondContact O-N 2.87Å; E266-N269 VanDerWaalsContact O-N 3.16Å; E266-I270 WeakPolarHBondContact O-CD1 3.42Å; E266-I270 VanDerWaalsContact O-CG1 3.31Å; E266-I270 WeakPolarHBondContact O-CG1 3.36Å; E266-I270 PolarHBondContact O-N 2.8Å |
| 267 | G | 68 | Low | 72 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 8% | 0.082 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.4 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R263 L264 N271 | R263-G267 PolarHBondContact O-N 3.16Å; R263-G267 VanDerWaalsContact O-N 3.09Å; L264-G267 PolarHBondContact O-N 3.03Å; G267-N271 VanDerWaalsContact O-CB 3.24Å; G267-N271 WeakPolarHBondContact O-CB 3.01Å; G267-N271 PolarHBondContact O-N 3.2Å; G267-N271 PolarHBondContact O-ND2 3.22Å |
| 268 | A | 73.9 | Confident | 73.7 | Confident | 58 Ų | 58 | 57 Ų | 57 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L264 K265 E266 K272 | L264-A268 WeakPolarHBondContact O-CB 3.48Å; L264-A268 PolarHBondContact O-N 3.07Å; K265-A268 PolarHBondContact O-N 3.25Å; E266-A268 VanDerWaalsContact C-N 3.28Å; E266-A268 PolarHBondContact O-N 3.43Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 2.92Å |
| 269 | N | 77.4 | Confident | 75.4 | Confident | 52 Ų | 52 | 58.3 Ų | 58.3 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76.3 | -33.2 | 178.7 | -71.6 | -38.3 | 0 | 0 | 0 | 113.3 | C150 E151 K265 E266 K272 S273 | C150-N269 HydrophobicContact CB-CB 4.23Å; E151-N269 HydrophobicContact CG-CB 4.48Å; K265-N269 PolarHBondContact O-N 2.91Å; K265-N269 VanDerWaalsContact O-N 3.13Å; K265-N269 PolarHBondContact O-ND2 3.26Å; E266-N269 PolarHBondContact O-N 2.87Å; E266-N269 VanDerWaalsContact O-N 3.16Å; N269-K272 WeakPolarHBondContact O-CB 3.45Å; N269-K272 PolarHBondContact O-N 3.4Å; N269-S273 PolarHBondContact O-N 3.29Å; N269-S273 VanDerWaalsContact O-N 3.1Å; N269-S273 PolarHBondContact O-OG 3.5Å |
| 270 | I | 73.8 | Confident | 77.3 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 169.9 | -67.3 | 160.7 | 0 | 0 | 0 | 109.5 | R215 A249 E266 K272 S273 L274 | R215-I270 HydrophobicContact CB-CD1 3.79Å; R215-I270 HydrophobicContact CG-CD1 3.92Å; R215-I270 WeakPolarHBondContact O-CD1 3.16Å; R215-I270 WeakPolarHBondContact O-CG1 3.42Å; A249-I270 HydrophobicContact CB-CG2 3.68Å; E266-I270 WeakPolarHBondContact O-CD1 3.42Å; E266-I270 VanDerWaalsContact O-CG1 3.31Å; E266-I270 WeakPolarHBondContact O-CG1 3.36Å; E266-I270 PolarHBondContact O-N 2.8Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 2.9Å; I270-S273 PolarHBondContact O-N 2.85Å; I270-S273 PolarHBondContact O-OG 3.37Å; I270-L274 HydrophobicContact CG2-CD1 4.35Å; I270-L274 PolarHBondContact O-N 2.95Å; I270-L274 VanDerWaalsContact O-N 3.07Å |
| 271 | N | 79.4 | Confident | 79 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -31.2 | 175.9 | -76.1 | -41 | 0 | 0 | 0 | 112.5 | G267 T275 | G267-N271 VanDerWaalsContact O-CB 3.24Å; G267-N271 WeakPolarHBondContact O-CB 3.01Å; G267-N271 PolarHBondContact O-N 3.2Å; G267-N271 PolarHBondContact O-ND2 3.22Å; N271-T275 WeakPolarHBondContact O-CA 3.18Å; N271-T275 WeakPolarHBondContact O-CB 3.5Å; N271-T275 PolarHBondContact O-N 3.42Å; N271-T275 PolarHBondContact O-OG1 2.81Å |
| 272 | K | 85.5 | Confident | 80.4 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.5 | -52 | 172.9 | -175.3 | -159.5 | 174.7 | -142.7 | 0 | 111.3 | E151 A268 N269 I270 T275 T276 D302 | E151-K272 HydrophobicContact CG-CD 3.99Å; E151-K272 IonicContact OE2-NZ 3.14Å; E151-K272 PolarHBondContact OE2-NZ 3.48Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 2.92Å; N269-K272 WeakPolarHBondContact O-CB 3.45Å; N269-K272 PolarHBondContact O-N 3.4Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 2.9Å; K272-T275 PolarHBondContact O-N 3.35Å; K272-T276 WeakPolarHBondContact O-CB 3.42Å; K272-T276 PolarHBondContact O-N 3.1Å; K272-T276 PolarHBondContact O-OG1 3.28Å; K272-D302 WeakPolarHBondContact CE-O 3.49Å; K272-D302 PolarHBondContact NZ-O 2.87Å |
| 273 | S | 89.5 | Confident | 81.7 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | -178 | 37.5 | 0 | 0 | 0 | 0 | 112.1 | E151 H217 N269 I270 T276 L277 | E151-S273 WeakPolarHBondContact OE1-CB 3.36Å; H217-S273 PolarHBondContact NE2-OG 3.34Å; N269-S273 PolarHBondContact O-N 3.29Å; N269-S273 VanDerWaalsContact O-N 3.1Å; N269-S273 PolarHBondContact O-OG 3.5Å; I270-S273 PolarHBondContact O-N 2.85Å; I270-S273 PolarHBondContact O-OG 3.37Å; S273-T276 PolarHBondContact O-N 2.77Å; S273-L277 WeakPolarHBondContact O-CB 3.43Å; S273-L277 PolarHBondContact O-N 2.99Å |
| 274 | L | 88.5 | Confident | 82.9 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.2 | -34.8 | 175.9 | -63.9 | -178.2 | 0 | 0 | 0 | 113.8 | Y93 L248 G250 I270 T276 L277 G278 L305 Y341 | Y93-L274 HydrophobicContact CD2-CD2 4.48Å; Y93-L274 HydrophobicContact CE2-CD2 4.23Å; L248-L274 HydrophobicContact CB-CD2 4.46Å; L248-L274 HydrophobicContact CD1-CD2 4.3Å; G250-L274 WeakPolarHBondContact O-CD1 3.25Å; I270-L274 HydrophobicContact CG2-CD1 4.35Å; I270-L274 PolarHBondContact O-N 2.95Å; I270-L274 VanDerWaalsContact O-N 3.07Å; L274-T276 VanDerWaalsContact C-N 3.33Å; L274-L277 HydrophobicContact CD2-CD2 4.17Å; L274-L277 PolarHBondContact O-N 3.37Å; L274-G278 PolarHBondContact O-N 2.98Å; L274-L305 HydrophobicContact CD2-CD2 4.33Å; L274-Y341 PolarHBondContact O-OH 2.91Å |
| 275 | T | 88.6 | Confident | 83.7 | Confident | 82 Ų | 82 | 34.4 Ų | 34.4 | 50% | 0.503 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 172.2 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | N271 K272 G278 K279 | N271-T275 WeakPolarHBondContact O-CA 3.18Å; N271-T275 WeakPolarHBondContact O-CB 3.5Å; N271-T275 PolarHBondContact O-N 3.42Å; N271-T275 PolarHBondContact O-OG1 2.81Å; K272-T275 PolarHBondContact O-N 3.35Å; T275-G278 CarbonylContact O-C 3.41Å; T275-G278 WeakPolarHBondContact O-CA 3.37Å; T275-G278 PolarHBondContact O-N 3.16Å; T275-G278 VanDerWaalsContact O-N 3.16Å; T275-K279 WeakPolarHBondContact O-CG 3.41Å; T275-K279 PolarHBondContact O-N 3.1Å |
| 276 | T | 92 | Very high | 84.5 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | K272 S273 L274 G278 K279 V280 P299 D302 T306 | K272-T276 WeakPolarHBondContact O-CB 3.42Å; K272-T276 PolarHBondContact O-N 3.1Å; K272-T276 PolarHBondContact O-OG1 3.28Å; S273-T276 PolarHBondContact O-N 2.77Å; L274-T276 VanDerWaalsContact C-N 3.33Å; T276-G278 PolarHBondContact O-N 2.81Å; T276-K279 WeakPolarHBondContact O-CB 3.47Å; T276-K279 PolarHBondContact O-N 2.78Å; T276-K279 VanDerWaalsContact O-N 3.09Å; T276-V280 WeakPolarHBondContact O-CG2 3.1Å; T276-V280 PolarHBondContact O-N 2.96Å; T276-P299 WeakPolarHBondContact CG2-O 3.24Å; T276-D302 HydrophobicContact CG2-CB 3.35Å; T276-T306 HydrophobicContact CG2-CG2 3.88Å; T276-T306 VanDerWaalsContact CG2-OG1 3.25Å; T276-T306 WeakPolarHBondContact CG2-OG1 3.05Å |
| 277 | L | 92.6 | Very high | 85 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.6 | -40.9 | 171 | -170.5 | 71.1 | 0 | 0 | 0 | 110.8 | L248 S273 L274 V280 I281 L305 T306 L309 L313 Y341 | L248-L277 HydrophobicContact CD1-CD2 3.76Å; S273-L277 WeakPolarHBondContact O-CB 3.43Å; S273-L277 PolarHBondContact O-N 2.99Å; L274-L277 HydrophobicContact CD2-CD2 4.17Å; L274-L277 PolarHBondContact O-N 3.37Å; L277-V280 PolarHBondContact O-N 3.12Å; L277-I281 HydrophobicContact CD1-CD1 4.5Å; L277-I281 HydrophobicContact CG-CD1 4.07Å; L277-I281 WeakPolarHBondContact O-CB 3.38Å; L277-I281 WeakPolarHBondContact O-CG1 3.31Å; L277-I281 PolarHBondContact O-N 3.01Å; L277-L305 HydrophobicContact CD2-CD2 4.29Å; L277-T306 VanDerWaalsContact CA-CG2 3.46Å; L277-T306 HydrophobicContact CB-CG2 3.91Å; L277-T306 HydrophobicContact CD1-CG2 3.9Å; L277-L309 HydrophobicContact CD1-CD1 4.46Å; L277-L313 HydrophobicContact CD1-CD1 3.41Å; L277-L313 VanDerWaalsContact CD1-CD1 3.41Å; L277-Y341 VanDerWaalsContact CB-OH 3.28Å; L277-Y341 WeakPolarHBondContact CB-OH 3.4Å; L277-Y341 WeakPolarHBondContact CD2-OH 3.44Å; L277-Y341 WeakPolarHBondContact CG-OH 3.24Å |
| 278 | G | 90 | Very high | 85.2 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -34 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | L274 T275 T276 A282 Y341 | L274-G278 PolarHBondContact O-N 2.98Å; T275-G278 CarbonylContact O-C 3.41Å; T275-G278 WeakPolarHBondContact O-CA 3.37Å; T275-G278 PolarHBondContact O-N 3.16Å; T275-G278 VanDerWaalsContact O-N 3.16Å; T276-G278 PolarHBondContact O-N 2.81Å; G278-A282 VanDerWaalsContact O-CB 3.31Å; G278-A282 WeakPolarHBondContact O-CB 3.42Å; G278-A282 PolarHBondContact O-N 3.25Å; G278-A282 VanDerWaalsContact O-N 3.09Å; G278-Y341 WeakPolarHBondContact CA-OH 3.09Å; G278-Y341 PolarHBondContact N-OH 3.44Å |
| 279 | K | 91.1 | Very high | 84.9 | Confident | 100 Ų | 100 | 35.4 Ų | 35.4 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.1 | -46.6 | 170.9 | -65.6 | 179.4 | -168.1 | 176.7 | 0 | 111.1 | T275 T276 A282 G283 P299 D302 | T275-K279 WeakPolarHBondContact O-CG 3.41Å; T275-K279 PolarHBondContact O-N 3.1Å; T276-K279 WeakPolarHBondContact O-CB 3.47Å; T276-K279 PolarHBondContact O-N 2.78Å; T276-K279 VanDerWaalsContact O-N 3.09Å; K279-A282 PolarHBondContact O-N 3.14Å; K279-G283 PolarHBondContact O-N 2.8Å; K279-P299 HydrophobicContact CB-CG 3.83Å; K279-P299 HydrophobicContact CD-CG 4Å; K279-D302 IonicContact NZ-OD2 3.95Å; K279-D302 PolarHBondContact NZ-OD2 3.02Å |
| 280 | V | 92.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 179.8 | 168.1 | 0 | 0 | 0 | 0 | 110.1 | T276 L277 A282 G283 L284 I298 P299 Y300 T306 L313 | T276-V280 WeakPolarHBondContact O-CG2 3.1Å; T276-V280 PolarHBondContact O-N 2.96Å; L277-V280 PolarHBondContact O-N 3.12Å; V280-A282 PolarHBondContact O-N 3.23Å; V280-G283 PolarHBondContact O-N 3.12Å; V280-L284 HydrophobicContact CG1-CD1 3.77Å; V280-L284 WeakPolarHBondContact O-CB 2.93Å; V280-L284 VanDerWaalsContact O-CG 3.28Å; V280-L284 WeakPolarHBondContact O-CG 3.48Å; V280-L284 PolarHBondContact O-N 2.98Å; V280-I298 HydrophobicContact CB-CG2 4.25Å; V280-I298 HydrophobicContact CG1-CG2 3.92Å; V280-I298 HydrophobicContact CG2-CG2 4.05Å; V280-P299 HydrophobicContact CG2-CG 4.29Å; V280-Y300 HydrophobicContact CG1-CD1 3.96Å; V280-Y300 HydrophobicContact CG1-CE1 3.69Å; V280-Y300 HydrophobicContact CG2-CD1 4.32Å; V280-T306 HydrophobicContact CG2-CG2 4.09Å; V280-L313 HydrophobicContact CG1-CB 4.42Å; V280-L313 HydrophobicContact CG1-CD1 4.45Å |
| 281 | I | 90.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 177.1 | -74 | 168.8 | 0 | 0 | 0 | 111.7 | L277 A285 Y341 R344 A345 I348 | L277-I281 HydrophobicContact CD1-CD1 4.5Å; L277-I281 HydrophobicContact CG-CD1 4.07Å; L277-I281 WeakPolarHBondContact O-CB 3.38Å; L277-I281 WeakPolarHBondContact O-CG1 3.31Å; L277-I281 PolarHBondContact O-N 3.01Å; I281-A285 WeakPolarHBondContact O-CB 3.31Å; I281-A285 PolarHBondContact O-N 2.87Å; I281-A285 VanDerWaalsContact O-N 3.07Å; I281-Y341 HydrophobicContact CD1-CD1 4.18Å; I281-Y341 HydrophobicContact CD1-CE1 3.33Å; I281-R344 HydrophobicContact CG2-CB 4.08Å; I281-A345 HydrophobicContact CG2-CB 4.28Å; I281-I348 HydrophobicContact CB-CD1 4.06Å; I281-I348 HydrophobicContact CG1-CD1 3.72Å; I281-I348 HydrophobicContact CG2-CD1 4.07Å |
| 282 | A | 88.1 | Confident | 82.1 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G278 K279 V280 L284 A285 D286 | G278-A282 VanDerWaalsContact O-CB 3.31Å; G278-A282 WeakPolarHBondContact O-CB 3.42Å; G278-A282 PolarHBondContact O-N 3.25Å; G278-A282 VanDerWaalsContact O-N 3.09Å; K279-A282 PolarHBondContact O-N 3.14Å; V280-A282 PolarHBondContact O-N 3.23Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.36Å; A282-A285 WeakPolarHBondContact O-CB 3.16Å; A282-A285 PolarHBondContact O-N 2.92Å; A282-D286 PolarHBondContact O-N 3.31Å |
| 283 | G | 88.3 | Confident | 80.6 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K279 V280 D286 M287 I298 | K279-G283 PolarHBondContact O-N 2.8Å; V280-G283 PolarHBondContact O-N 3.12Å; G283-D286 PolarHBondContact O-N 3.38Å; G283-M287 WeakPolarHBondContact O-CB 3.24Å; G283-M287 WeakPolarHBondContact O-CG 3.45Å; G283-M287 PolarHBondContact O-N 2.82Å; G283-I298 VanDerWaalsContact C-CD1 3.41Å |
| 284 | L | 88.2 | Confident | 78.6 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 175.7 | -69.8 | 169.8 | 0 | 0 | 0 | 112.5 | V280 A282 M287 S288 I298 L313 I348 | V280-L284 HydrophobicContact CG1-CD1 3.77Å; V280-L284 WeakPolarHBondContact O-CB 2.93Å; V280-L284 VanDerWaalsContact O-CG 3.28Å; V280-L284 WeakPolarHBondContact O-CG 3.48Å; V280-L284 PolarHBondContact O-N 2.98Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.36Å; L284-M287 PolarHBondContact O-N 3.22Å; L284-S288 PolarHBondContact O-N 2.84Å; L284-S288 VanDerWaalsContact O-N 3.11Å; L284-I298 HydrophobicContact CD2-CD1 4.4Å; L284-I298 HydrophobicContact CD2-CG1 4.25Å; L284-I298 HydrophobicContact CG-CD1 4.43Å; L284-I298 HydrophobicContact CG-CG2 4.39Å; L284-L313 HydrophobicContact CD1-CB 4.22Å; L284-L313 WeakPolarHBondContact CD1-O 3.16Å; L284-I348 HydrophobicContact CB-CB 4.47Å; L284-I348 HydrophobicContact CB-CD1 4.16Å; L284-I348 HydrophobicContact CB-CG1 3.81Å; L284-I348 HydrophobicContact CB-CG2 4.13Å; L284-I348 HydrophobicContact CD1-CD1 4.2Å; L284-I348 HydrophobicContact CD1-CG2 4.02Å |
| 285 | A | 86 | Confident | 76.8 | Confident | 14 Ų | 14 | 78 Ų | 78 | 12% | 0.116 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | I281 A282 S288 S289 S347 | I281-A285 WeakPolarHBondContact O-CB 3.31Å; I281-A285 PolarHBondContact O-N 2.87Å; I281-A285 VanDerWaalsContact O-N 3.07Å; A282-A285 WeakPolarHBondContact O-CB 3.16Å; A282-A285 PolarHBondContact O-N 2.92Å; A285-S288 PolarHBondContact O-OG 3.38Å; A285-S288 VanDerWaalsContact O-OG 3.11Å; A285-S289 PolarHBondContact O-N 3.07Å; A285-S289 PolarHBondContact O-OG 2.92Å; A285-S347 WeakPolarHBondContact CA-OG 3.41Å; A285-S347 WeakPolarHBondContact CB-OG 3.48Å |
| 286 | D | 84.3 | Confident | 75.6 | Confident | 79 Ų | 79 | 77.5 Ų | 77.5 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.9 | -34.5 | 173.4 | -85.7 | -46.4 | 0 | 0 | 0 | 112 | A282 G283 S289 K290 | A282-D286 PolarHBondContact O-N 3.31Å; G283-D286 PolarHBondContact O-N 3.38Å; D286-S289 PolarHBondContact O-OG 2.9Å; D286-K290 WeakPolarHBondContact O-CB 3.45Å; D286-K290 PolarHBondContact O-N 3.03Å; D286-K290 IonicContact OD1-NZ 2.72Å; D286-K290 PolarHBondContact OD1-NZ 2.84Å |
| 287 | M | 77.9 | Confident | 75.1 | Confident | 48 Ų | 48 | 85.2 Ų | 85.2 | 24% | 0.236 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.7 | -30.2 | 176.6 | -83.4 | -166.3 | 178 | 0 | 0 | 114.5 | G283 L284 D296 I298 | G283-M287 WeakPolarHBondContact O-CB 3.24Å; G283-M287 WeakPolarHBondContact O-CG 3.45Å; G283-M287 PolarHBondContact O-N 2.82Å; L284-M287 PolarHBondContact O-N 3.22Å; M287-D296 HydrophobicContact CE-CB 3.62Å; M287-D296 WeakPolarHBondContact CE-O 3.29Å; M287-I298 HydrophobicContact CE-CD1 3.76Å; M287-I298 HydrophobicContact CE-CG1 3.67Å; M287-I298 HydrophobicContact CG-CD1 4.4Å; M287-I298 HydrophobicContact SD-CD1 3.96Å; M287-I298 HydrophobicContact SD-CG1 3.97Å |
| 288 | S | 71.8 | Confident | 74.9 | Confident | 59 Ų | 59 | 86.2 Ų | 86.2 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -78.4 | -27.1 | 177.3 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | L284 A285 S347 | L284-S288 PolarHBondContact O-N 2.84Å; L284-S288 VanDerWaalsContact O-N 3.11Å; A285-S288 PolarHBondContact O-OG 3.38Å; A285-S288 VanDerWaalsContact O-OG 3.11Å; S288-S347 VanDerWaalsContact CB-O 3.3Å; S288-S347 WeakPolarHBondContact CB-O 3.26Å; S288-S347 PolarHBondContact OG-O 2.92Å |
| 289 | S | 67.1 | Low | 74.9 | Confident | 82 Ų | 82 | 86.5 Ų | 86.5 | 57% | 0.573 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -93.2 | -15.1 | -177.1 | 55.8 | 0 | 0 | 0 | 0 | 115.1 | A285 D286 | A285-S289 PolarHBondContact O-N 3.07Å; A285-S289 PolarHBondContact O-OG 2.92Å; D286-S289 PolarHBondContact O-OG 2.9Å |
| 290 | K | 62.5 | Low | 75 | Confident | 127 Ų | 127 | 83.5 Ų | 83.5 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -128.8 | 142.8 | -175.1 | -67.1 | 154.1 | -174 | 164.1 | 0 | 112.1 | D286 R292 | D286-K290 WeakPolarHBondContact O-CB 3.45Å; D286-K290 PolarHBondContact O-N 3.03Å; D286-K290 IonicContact OD1-NZ 2.72Å; D286-K290 PolarHBondContact OD1-NZ 2.84Å; K290-R292 PolarHBondContact O-N 3.38Å; K290-R292 VanDerWaalsContact O-N 3.12Å |
| 291 | R | 55.1 | Low | 75 | Confident | 247 Ų | 247 | 91 Ų | 91 | 93% | 0.932 | 43% | 0.429 | S | S | * | . | trans | -61 | 116.6 | 170.3 | -80.4 | -173.8 | 172.3 | -177.2 | -2.1 | 109.3 | K293 | R291-K293 PolarHBondContact O-N 3.04Š| ||
| 292 | R | 53.4 | Low | 75 | Confident | 207 Ų | 207 | 94.1 Ų | 94.1 | 78% | 0.781 | 45% | 0.445 | S | S | * | . | trans | -38.2 | 122.4 | -178.6 | -73.7 | -179.8 | 167.1 | -172 | -8.1 | 113 | K290 | K290-R292 PolarHBondContact O-N 3.38Å; K290-R292 VanDerWaalsContact O-N 3.12Å | ||
| 293 | K | 53.9 | Low | 75.2 | Confident | 162 Ų | 162 | 93 Ų | 93 | 70% | 0.704 | 44% | 0.436 | S | S | * | . | trans | -86.4 | 156.6 | 161.2 | -65.5 | 177.6 | 179.5 | 177.2 | 0 | 108.9 | R291 N295 D296 | R291-K293 PolarHBondContact O-N 3.04Å; K293-N295 PolarHBondContact O-N 2.99Å; K293-N295 VanDerWaalsContact O-N 3.07Å; K293-D296 WeakPolarHBondContact CA-OD2 3.25Å; K293-D296 PolarHBondContact N-OD2 2.99Å; K293-D296 PolarHBondContact O-N 2.94Å | ||
| 294 | K | 47.7 | Very low | 75.4 | Confident | 198 Ų | 198 | 93.1 Ų | 93.1 | 86% | 0.861 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 3 | -173.2 | -142.9 | -174.2 | 176.3 | -163.9 | 0 | 114.5 | ||
| 295 | N | 51.1 | Low | 75.7 | Confident | 151 Ų | 151 | 92.2 Ų | 92.2 | 81% | 0.807 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 6.4 | -174.8 | -63.9 | 36 | 0 | 0 | 0 | 112.6 | K293 F297 | K293-N295 PolarHBondContact O-N 2.99Å; K293-N295 VanDerWaalsContact O-N 3.07Å; N295-F297 PolarHBondContact O-N 3.18Å; N295-F297 VanDerWaalsContact O-N 3.07Å |
| 296 | D | 63.6 | Low | 76.1 | Confident | 72 Ų | 72 | 91.5 Ų | 91.5 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | trans | -77.4 | 96.2 | -174.9 | -59.8 | -26 | 0 | 0 | 0 | 110 | M287 K293 | M287-D296 HydrophobicContact CE-CB 3.62Å; M287-D296 WeakPolarHBondContact CE-O 3.29Å; K293-D296 WeakPolarHBondContact CA-OD2 3.25Å; K293-D296 PolarHBondContact N-OD2 2.99Å; K293-D296 PolarHBondContact O-N 2.94Å | ||
| 297 | F | 80.6 | Confident | 76.5 | Confident | 165 Ų | 165 | 89.5 Ų | 89.5 | 72% | 0.724 | 41% | 0.409 | S | S | * | . | trans | -100.1 | 131.5 | -177.1 | 174.9 | -95.9 | 0 | 0 | 0 | 112.1 | N295 P299 | N295-F297 PolarHBondContact O-N 3.18Å; N295-F297 VanDerWaalsContact O-N 3.07Å; F297-P299 HydrophobicContact CD1-CB 4.49Å; F297-P299 HydrophobicContact CE1-CB 4.04Å | ||
| 298 | I | 88.4 | Confident | 77.2 | Confident | 22 Ų | 22 | 88.1 Ų | 88.1 | 11% | 0.113 | 40% | 0.402 | C | S | . | . | trans | -101.2 | 118.3 | 177.4 | -54.1 | -60.4 | 0 | 0 | 0 | 109.9 | V280 G283 L284 M287 Y300 | V280-I298 HydrophobicContact CB-CG2 4.25Å; V280-I298 HydrophobicContact CG1-CG2 3.92Å; V280-I298 HydrophobicContact CG2-CG2 4.05Å; G283-I298 VanDerWaalsContact C-CD1 3.41Å; L284-I298 HydrophobicContact CD2-CD1 4.4Å; L284-I298 HydrophobicContact CD2-CG1 4.25Å; L284-I298 HydrophobicContact CG-CD1 4.43Å; L284-I298 HydrophobicContact CG-CG2 4.39Å; M287-I298 HydrophobicContact CE-CD1 3.76Å; M287-I298 HydrophobicContact CE-CG1 3.67Å; M287-I298 HydrophobicContact CG-CD1 4.4Å; M287-I298 HydrophobicContact SD-CD1 3.96Å; M287-I298 HydrophobicContact SD-CG1 3.97Å; I298-Y300 VanDerWaalsContact C-N 3.27Å; I298-Y300 HydrophobicContact CB-CD2 3.96Å; I298-Y300 HydrophobicContact CB-CE2 3.64Å; I298-Y300 HydrophobicContact CG2-CD1 4.5Å; I298-Y300 HydrophobicContact CG2-CD2 3.66Å; I298-Y300 HydrophobicContact CG2-CE1 4.23Å; I298-Y300 HydrophobicContact CG2-CE2 3.33Å; I298-Y300 HydrophobicContact CG2-CG 4.25Å; I298-Y300 WeakPolarHBondContact O-CD2 3.39Å; I298-Y300 PolarHBondContact O-N 3.15Å | ||
| 299 | P | 90.9 | Very high | 78.1 | Confident | 18 Ų | 18 | 85.6 Ų | 85.6 | 12% | 0.117 | 38% | 0.384 | C | S | . | . | trans | -82.9 | 56.7 | -168.5 | 34.7 | -37.9 | 0 | 0 | 0 | 113.4 | T276 K279 V280 F297 R301 D302 | T276-P299 WeakPolarHBondContact CG2-O 3.24Å; K279-P299 HydrophobicContact CB-CG 3.83Å; K279-P299 HydrophobicContact CD-CG 4Å; V280-P299 HydrophobicContact CG2-CG 4.29Å; F297-P299 HydrophobicContact CD1-CB 4.49Å; F297-P299 HydrophobicContact CE1-CB 4.04Å; P299-R301 VanDerWaalsContact C-N 3.26Å; P299-R301 PolarHBondContact O-N 3.37Å; P299-D302 HydrophobicContact CB-CB 4.25Å; P299-D302 WeakPolarHBondContact O-CB 3.41Å; P299-D302 PolarHBondContact O-N 2.92Å | ||
| 300 | Y | 92.8 | Very high | 79.3 | Confident | 37 Ų | 37 | 85.1 Ų | 85.1 | 15% | 0.145 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -58.6 | -37 | 178.8 | -66.8 | -81.9 | 0 | 0 | 0 | 113 | V280 I298 D302 T306 W307 K310 L313 | V280-Y300 HydrophobicContact CG1-CD1 3.96Å; V280-Y300 HydrophobicContact CG1-CE1 3.69Å; V280-Y300 HydrophobicContact CG2-CD1 4.32Å; I298-Y300 VanDerWaalsContact C-N 3.27Å; I298-Y300 HydrophobicContact CB-CD2 3.96Å; I298-Y300 HydrophobicContact CB-CE2 3.64Å; I298-Y300 HydrophobicContact CG2-CD1 4.5Å; I298-Y300 HydrophobicContact CG2-CD2 3.66Å; I298-Y300 HydrophobicContact CG2-CE1 4.23Å; I298-Y300 HydrophobicContact CG2-CE2 3.33Å; I298-Y300 HydrophobicContact CG2-CG 4.25Å; I298-Y300 WeakPolarHBondContact O-CD2 3.39Å; I298-Y300 PolarHBondContact O-N 3.15Å; Y300-D302 VanDerWaalsContact C-N 3.33Å; Y300-D302 PolarHBondContact O-N 2.87Å; Y300-T306 CarbonylContact O-C 3.57Å; Y300-T306 VanDerWaalsContact O-CB 3.31Å; Y300-T306 WeakPolarHBondContact O-CB 3.48Å; Y300-T306 PolarHBondContact O-OG1 3.38Å; Y300-W307 PolarHBondContact O-N 3.28Å; Y300-K310 HydrophobicContact CD1-CB 3.93Å; Y300-K310 HydrophobicContact CD1-CG 3.92Å; Y300-K310 HydrophobicContact CD2-CG 4.22Å; Y300-K310 HydrophobicContact CE1-CB 4.36Å; Y300-K310 HydrophobicContact CE1-CG 4.18Å; Y300-K310 HydrophobicContact CE2-CG 4.46Å; Y300-K310 HydrophobicContact CG-CB 4.28Å; Y300-K310 HydrophobicContact CG-CG 3.93Å; Y300-L313 HydrophobicContact CE1-CB 4.37Å; Y300-L313 WeakPolarHBondContact CE1-O 3.36Å; Y300-L313 PolarHBondContact OH-O 2.8Å |
| 301 | R | 91.9 | Very high | 80.4 | Confident | 158 Ų | 158 | 81 Ų | 81 | 60% | 0.596 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -83.3 | -2 | -175.4 | -66.3 | -179.6 | 68.4 | 137.9 | -9.2 | 114.4 | E169 P299 S303 W307 | E169-R301 IonicContact OE2-CZ 2.73Å; E169-R301 IonicContact OE2-NH1 3.32Å; E169-R301 PolarHBondContact OE2-NH1 3.05Å; P299-R301 VanDerWaalsContact C-N 3.26Å; P299-R301 PolarHBondContact O-N 3.37Å; R301-S303 PolarHBondContact O-N 3.06Å; R301-W307 HydrophobicContact CG-CD2 4.3Å; R301-W307 HydrophobicContact CG-CG 4.04Å |
| 302 | D | 91.5 | Very high | 82.1 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -64.7 | -24.6 | 174.5 | -90 | 29.5 | 0 | 0 | 0 | 111.9 | K272 T276 K279 P299 Y300 | K272-D302 WeakPolarHBondContact CE-O 3.49Å; K272-D302 PolarHBondContact NZ-O 2.87Å; T276-D302 HydrophobicContact CG2-CB 3.35Å; K279-D302 IonicContact NZ-OD2 3.95Å; K279-D302 PolarHBondContact NZ-OD2 3.02Å; P299-D302 HydrophobicContact CB-CB 4.25Å; P299-D302 WeakPolarHBondContact O-CB 3.41Å; P299-D302 PolarHBondContact O-N 2.92Å; Y300-D302 VanDerWaalsContact C-N 3.33Å; Y300-D302 PolarHBondContact O-N 2.87Å |
| 303 | S | 93.1 | Very high | 83.7 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -142.1 | 152.6 | 174.1 | 81.9 | 0 | 0 | 0 | 0 | 113.7 | E151 R301 L305 T306 W307 | E151-S303 WeakPolarHBondContact OE2-CA 3.4Å; E151-S303 WeakPolarHBondContact OE2-CB 3.38Å; R301-S303 PolarHBondContact O-N 3.06Å; S303-L305 VanDerWaalsContact C-N 3.32Å; S303-L305 PolarHBondContact O-N 3Å; S303-T306 PolarHBondContact N-OG1 3.07Å; S303-T306 PolarHBondContact O-N 2.76Å; S303-T306 PolarHBondContact O-OG1 3.42Å; S303-T306 VanDerWaalsContact O-OG1 3.05Å; S303-T306 PolarHBondContact OG-N 3.43Å; S303-T306 PolarHBondContact OG-OG1 3.45Å; S303-W307 WeakPolarHBondContact O-CB 3.41Å; S303-W307 PolarHBondContact O-N 3.42Å |
| 304 | V | 92.4 | Very high | 84.9 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 179.2 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | I148 E151 V153 V167 W307 L308 | I148-V304 HydrophobicContact CD1-CG1 4.35Å; I148-V304 HydrophobicContact CG2-CB 4.17Å; I148-V304 HydrophobicContact CG2-CG1 3.87Å; E151-V304 HydrophobicContact CB-CG2 4.29Å; E151-V304 WeakPolarHBondContact O-CG2 3.04Å; E151-V304 PolarHBondContact OE2-N 2.75Å; V153-V304 HydrophobicContact CG2-CG1 3.57Å; V167-V304 HydrophobicContact CG2-CG1 3.97Å; V304-W307 PolarHBondContact O-N 2.75Å; V304-L308 HydrophobicContact CG1-CD1 4.05Å; V304-L308 PolarHBondContact O-N 3.18Å |
| 305 | L | 93.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -51 | 176.4 | 176.7 | 68.8 | 0 | 0 | 0 | 111.8 | I148 H217 L248 L274 L277 S303 W307 L308 L309 | I148-L305 HydrophobicContact CD1-CB 4.32Å; I148-L305 HydrophobicContact CD1-CD1 4.02Å; H217-L305 HydrophobicContact CB-CD1 4.18Å; L248-L305 HydrophobicContact CD2-CD1 3.72Å; L248-L305 HydrophobicContact CD2-CD2 3.75Å; L248-L305 HydrophobicContact CD2-CG 4.35Å; L274-L305 HydrophobicContact CD2-CD2 4.33Å; L277-L305 HydrophobicContact CD2-CD2 4.29Å; S303-L305 VanDerWaalsContact C-N 3.32Å; S303-L305 PolarHBondContact O-N 3Å; L305-W307 VanDerWaalsContact C-N 3.28Å; L305-W307 PolarHBondContact O-N 3.05Å; L305-L308 PolarHBondContact O-N 2.98Å; L305-L309 HydrophobicContact CD1-CD1 3.72Å; L305-L309 HydrophobicContact CD1-CG 4.28Å; L305-L309 HydrophobicContact CG-CD1 4.07Å; L305-L309 WeakPolarHBondContact O-CB 3.38Å; L305-L309 WeakPolarHBondContact O-CG 3.41Å; L305-L309 PolarHBondContact O-N 3.11Å |
| 306 | T | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.5 | -21.9 | -178.6 | 48 | 0 | 0 | 0 | 0 | 113.6 | T276 L277 V280 Y300 S303 K310 | T276-T306 HydrophobicContact CG2-CG2 3.88Å; T276-T306 VanDerWaalsContact CG2-OG1 3.25Å; T276-T306 WeakPolarHBondContact CG2-OG1 3.05Å; L277-T306 VanDerWaalsContact CA-CG2 3.46Å; L277-T306 HydrophobicContact CB-CG2 3.91Å; L277-T306 HydrophobicContact CD1-CG2 3.9Å; V280-T306 HydrophobicContact CG2-CG2 4.09Å; Y300-T306 CarbonylContact O-C 3.57Å; Y300-T306 VanDerWaalsContact O-CB 3.31Å; Y300-T306 WeakPolarHBondContact O-CB 3.48Å; Y300-T306 PolarHBondContact O-OG1 3.38Å; S303-T306 PolarHBondContact N-OG1 3.07Å; S303-T306 PolarHBondContact O-N 2.76Å; S303-T306 PolarHBondContact O-OG1 3.42Å; S303-T306 VanDerWaalsContact O-OG1 3.05Å; S303-T306 PolarHBondContact OG-N 3.43Å; S303-T306 PolarHBondContact OG-OG1 3.45Å; T306-K310 PolarHBondContact O-N 3.14Å |
| 307 | W | 93.5 | Very high | 89.7 | Confident | 37 Ų | 37 | 36 Ų | 36 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.2 | -48.9 | 173.2 | -165.7 | 16.9 | 0 | 0 | 0 | 110.2 | V167 E169 P175 Y300 R301 S303 V304 L305 L309 K310 | V167-W307 HydrophobicContact CB-CE3 3.89Å; V167-W307 HydrophobicContact CB-CH2 4.4Å; V167-W307 HydrophobicContact CB-CZ3 3.69Å; V167-W307 HydrophobicContact CG1-CD2 3.86Å; V167-W307 HydrophobicContact CG1-CE3 3.45Å; V167-W307 VanDerWaalsContact CG1-CE3 3.45Å; V167-W307 HydrophobicContact CG1-CH2 4.12Å; V167-W307 HydrophobicContact CG1-CZ2 4.49Å; V167-W307 HydrophobicContact CG1-CZ3 3.59Å; V167-W307 VanDerWaalsContact O-CH2 3.27Å; V167-W307 WeakPolarHBondContact O-CH2 3.3Å; V167-W307 WeakPolarHBondContact O-CZ3 3.09Å; E169-W307 HydrophobicContact CB-CZ2 3.78Å; E169-W307 PolarHBondContact OE2-NE1 3.23Å; P175-W307 HydrophobicContact CB-CG 4.25Å; P175-W307 VanDerWaalsContact CB-O 3.32Å; P175-W307 WeakPolarHBondContact CB-O 3.38Å; P175-W307 VanDerWaalsContact CG-CD1 3.44Å; P175-W307 HydrophobicContact CG-CG 4.36Å; P175-W307 VanDerWaalsContact CG-O 3.25Å; P175-W307 WeakPolarHBondContact CG-O 3.46Å; Y300-W307 PolarHBondContact O-N 3.28Å; R301-W307 HydrophobicContact CG-CD2 4.3Å; R301-W307 HydrophobicContact CG-CG 4.04Å; S303-W307 WeakPolarHBondContact O-CB 3.41Å; S303-W307 PolarHBondContact O-N 3.42Å; V304-W307 PolarHBondContact O-N 2.75Å; L305-W307 VanDerWaalsContact C-N 3.28Å; L305-W307 PolarHBondContact O-N 3.05Å; W307-L309 VanDerWaalsContact C-N 3.32Å; W307-L309 PolarHBondContact O-N 2.93Å; W307-K310 WeakPolarHBondContact O-CB 3.43Å; W307-K310 PolarHBondContact O-N 2.77Å; W307-K310 VanDerWaalsContact O-N 3.16Å |
| 308 | L | 92.2 | Very high | 90.3 | Very high | 18 Ų | 18 | 30 Ų | 30 | 9% | 0.094 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.4 | -31.5 | 175.7 | -69.8 | 170.2 | 0 | 0 | 0 | 113.1 | M146 I148 V153 V167 V177 V304 L305 K310 | M146-L308 HydrophobicContact CE-CD1 4.12Å; M146-L308 HydrophobicContact SD-CD1 4.27Å; I148-L308 HydrophobicContact CD1-CD1 3.9Å; V153-L308 HydrophobicContact CG2-CD1 4.48Å; V167-L308 HydrophobicContact CG1-CD2 3.81Å; V167-L308 HydrophobicContact CG1-CG 4.19Å; V167-L308 HydrophobicContact CG2-CD1 4.18Å; V167-L308 HydrophobicContact CG2-CD2 4.32Å; V167-L308 HydrophobicContact CG2-CG 4.35Å; V177-L308 HydrophobicContact CG2-CD1 3.99Å; V177-L308 HydrophobicContact CG2-CD2 3.7Å; V304-L308 HydrophobicContact CG1-CD1 4.05Å; V304-L308 PolarHBondContact O-N 3.18Å; L305-L308 PolarHBondContact O-N 2.98Å; L308-K310 VanDerWaalsContact C-N 3.33Å |
| 309 | L | 91.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.5 | 174.9 | -62.8 | -179.1 | 0 | 0 | 0 | 114.5 | V246 L277 L305 W307 E311 N312 L313 | V246-L309 HydrophobicContact CG2-CD2 4.21Å; L277-L309 HydrophobicContact CD1-CD1 4.46Å; L305-L309 HydrophobicContact CD1-CD1 3.72Å; L305-L309 HydrophobicContact CD1-CG 4.28Å; L305-L309 HydrophobicContact CG-CD1 4.07Å; L305-L309 WeakPolarHBondContact O-CB 3.38Å; L305-L309 WeakPolarHBondContact O-CG 3.41Å; L305-L309 PolarHBondContact O-N 3.11Å; W307-L309 VanDerWaalsContact C-N 3.32Å; W307-L309 PolarHBondContact O-N 2.93Å; L309-E311 VanDerWaalsContact C-N 3.29Å; L309-E311 PolarHBondContact O-N 2.99Å; L309-N312 HydrophobicContact CD2-CB 4.48Å; L309-N312 PolarHBondContact O-N 3.38Å; L309-L313 HydrophobicContact CB-CD1 4Å; L309-L313 HydrophobicContact CB-CG 4.42Å; L309-L313 PolarHBondContact O-N 2.88Å |
| 310 | K | 90.9 | Very high | 90.8 | Very high | 72 Ų | 72 | 28.7 Ų | 28.7 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -39 | -179.9 | -178.6 | -164.6 | 175.6 | -156.4 | 0 | 113.2 | E169 P175 Y300 T306 W307 L308 N312 | E169-K310 IonicContact OE1-NZ 3.51Å; E169-K310 PolarHBondContact OE1-NZ 3.06Å; P175-K310 HydrophobicContact CG-CB 4.17Å; P175-K310 HydrophobicContact CG-CD 3.84Å; Y300-K310 HydrophobicContact CD1-CB 3.93Å; Y300-K310 HydrophobicContact CD1-CG 3.92Å; Y300-K310 HydrophobicContact CD2-CG 4.22Å; Y300-K310 HydrophobicContact CE1-CB 4.36Å; Y300-K310 HydrophobicContact CE1-CG 4.18Å; Y300-K310 HydrophobicContact CE2-CG 4.46Å; Y300-K310 HydrophobicContact CG-CB 4.28Å; Y300-K310 HydrophobicContact CG-CG 3.93Å; T306-K310 PolarHBondContact O-N 3.14Å; W307-K310 WeakPolarHBondContact O-CB 3.43Å; W307-K310 PolarHBondContact O-N 2.77Å; W307-K310 VanDerWaalsContact O-N 3.16Å; L308-K310 VanDerWaalsContact C-N 3.33Å; K310-N312 VanDerWaalsContact C-N 3.34Å |
| 311 | E | 86.8 | Confident | 91 | Very high | 41 Ų | 41 | 26.9 Ų | 26.9 | 19% | 0.192 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -31.7 | 178 | -56.2 | -171 | 122.8 | 0 | 0 | 112.3 | K242 L309 G315 N316 | K242-E311 IonicContact NZ-OE2 2.69Å; K242-E311 PolarHBondContact NZ-OE2 3.3Å; L309-E311 VanDerWaalsContact C-N 3.29Å; L309-E311 PolarHBondContact O-N 2.99Å; E311-G315 CarbonylContact O-C 3.59Å; E311-G315 WeakPolarHBondContact O-CA 3.31Å; E311-G315 PolarHBondContact O-N 2.7Å; E311-N316 PolarHBondContact O-N 2.75Å; E311-N316 VanDerWaalsContact O-N 3.15Å |
| 312 | N | 89.8 | Confident | 91.2 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -42.1 | -177.9 | -68.1 | -39.6 | 0 | 0 | 0 | 111.8 | C89 S244 L309 K310 G314 S317 T319 C350 | C89-N312 HydrophobicContact CB-CB 3.84Å; C89-N312 VanDerWaalsContact CB-CG 3.44Å; C89-N312 WeakPolarHBondContact CB-OD1 3.45Å; S244-N312 PolarHBondContact OG-ND2 3.12Å; L309-N312 HydrophobicContact CD2-CB 4.48Å; L309-N312 PolarHBondContact O-N 3.38Å; K310-N312 VanDerWaalsContact C-N 3.34Å; N312-G314 PolarHBondContact O-N 3.45Å; N312-S317 VanDerWaalsContact OD1-CB 3.22Å; N312-S317 WeakPolarHBondContact OD1-CB 3.46Å; N312-S317 PolarHBondContact OD1-OG 2.75Å; N312-T319 PolarHBondContact O-OG1 3.04Å; N312-C350 PolarHBondContact O-SG 3.37Å |
| 313 | L | 87.3 | Confident | 91.5 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 86.3 | -174.8 | -62.5 | 169.9 | 0 | 0 | 0 | 111.3 | F91 L277 V280 L284 Y300 L309 T319 | F91-L313 HydrophobicContact CE1-CD2 4.02Å; F91-L313 HydrophobicContact CZ-CD2 4.3Å; L277-L313 HydrophobicContact CD1-CD1 3.41Å; L277-L313 VanDerWaalsContact CD1-CD1 3.41Å; V280-L313 HydrophobicContact CG1-CB 4.42Å; V280-L313 HydrophobicContact CG1-CD1 4.45Å; L284-L313 HydrophobicContact CD1-CB 4.22Å; L284-L313 WeakPolarHBondContact CD1-O 3.16Å; Y300-L313 HydrophobicContact CE1-CB 4.37Å; Y300-L313 WeakPolarHBondContact CE1-O 3.36Å; Y300-L313 PolarHBondContact OH-O 2.8Å; L309-L313 HydrophobicContact CB-CD1 4Å; L309-L313 HydrophobicContact CB-CG 4.42Å; L309-L313 PolarHBondContact O-N 2.88Å; L313-T319 HydrophobicContact CD2-CG2 4.35Å |
| 314 | G | 79.3 | Confident | 91.7 | Very high | 26 Ų | 26 | 16.2 Ų | 16.2 | 27% | 0.268 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 4.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N312 C350 | N312-G314 PolarHBondContact O-N 3.45Å; G314-C350 PolarHBondContact N-SG 2.76Å |
| 315 | G | 84.9 | Confident | 91.9 | Very high | 20 Ų | 20 | 15.2 Ų | 15.2 | 21% | 0.206 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -105 | -147.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E311 S317 K351 | E311-G315 CarbonylContact O-C 3.59Å; E311-G315 WeakPolarHBondContact O-CA 3.31Å; E311-G315 PolarHBondContact O-N 2.7Å; G315-S317 PolarHBondContact O-N 2.76Å; G315-K351 CarbonylContact O-C 3.56Å; G315-K351 PolarHBondContact O-N 3.16Å |
| 316 | N | 88 | Confident | 92 | Very high | 41 Ų | 41 | 15.2 Ų | 15.2 | 22% | 0.219 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -84.6 | 85 | 176.2 | 176.8 | 19.3 | 0 | 0 | 0 | 110.7 | N87 E311 K351 A352 V353 N355 | N87-N316 WeakPolarHBondContact CB-O 3.35Å; N87-N316 PolarHBondContact ND2-O 3.43Å; N87-N316 VanDerWaalsContact ND2-O 3.13Å; E311-N316 PolarHBondContact O-N 2.75Å; E311-N316 VanDerWaalsContact O-N 3.15Å; N316-K351 WeakPolarHBondContact CA-O 3.38Å; N316-A352 VanDerWaalsContact OD1-CA 3.31Å; N316-A352 WeakPolarHBondContact OD1-CA 3.02Å; N316-V353 WeakPolarHBondContact ND2-CG2 3.16Å; N316-V353 PolarHBondContact OD1-N 3.48Å; N316-V353 PolarHBondContact OD1-O 2.87Å; N316-N355 PolarHBondContact ND2-OD1 2.76Å |
| 317 | S | 90.9 | Very high | 92 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -168.5 | 140.6 | 174.4 | -171.3 | 0 | 0 | 0 | 0 | 112.8 | N87 C89 N312 G315 T319 C350 | N87-S317 CarbonylContact O-C 3.54Å; N87-S317 WeakPolarHBondContact O-CA 3.24Å; C89-S317 PolarHBondContact N-OG 3.3Å; N312-S317 VanDerWaalsContact OD1-CB 3.22Å; N312-S317 WeakPolarHBondContact OD1-CB 3.46Å; N312-S317 PolarHBondContact OD1-OG 2.75Å; G315-S317 PolarHBondContact O-N 2.76Å; S317-T319 PolarHBondContact O-N 2.73Å; S317-T319 PolarHBondContact OG-OG1 2.96Å; S317-C350 VanDerWaalsContact O-CB 3.27Å; S317-C350 WeakPolarHBondContact O-CB 3.26Å |
| 318 | H | 93.1 | Very high | 92 | Very high | 38 Ų | 38 | 13.5 Ų | 13.5 | 18% | 0.176 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 102.9 | 160.7 | -82.7 | -104.6 | 0 | 0 | 0 | 108.9 | H81 Y86 N87 V88 C89 A352 | H81-H318 HydrophobicContact CB-CB 4.46Å; H81-H318 AromaticContact CD2-CD2 3.75Å; H81-H318 AromaticContact CD2-CE1 3.18Å; H81-H318 PolarHBondContact CD2-CE1 2.66Å; H81-H318 AromaticContact CD2-CG 3.59Å; H81-H318 AromaticContact CD2-ND1 3.22Å; H81-H318 PolarHBondContact CD2-ND1 3.05Å; H81-H318 AromaticContact CD2-NE2 3.57Å; H81-H318 AromaticContact CE1-ND1 3.85Å; H81-H318 AromaticContact CG-CG 3.93Å; H81-H318 AromaticContact CG-ND1 3.86Å; H81-H318 AromaticContact NE2-CE1 3.21Å; H81-H318 PolarHBondContact NE2-CE1 3.19Å; H81-H318 AromaticContact NE2-ND1 3.18Å; H81-H318 PolarHBondContact NE2-ND1 3.44Å; H81-H318 VanDerWaalsContact NE2-ND1 3.18Å; Y86-H318 AromaticContact CD1-NE2 3.99Å; Y86-H318 AromaticContact CG-CD2 3.95Å; N87-H318 PolarHBondContact O-N 2.99Å; V88-H318 CarbonylContact C-O 3.21Å; V88-H318 VanDerWaalsContact CA-O 3.3Å; V88-H318 WeakPolarHBondContact CA-O 3.19Å; V88-H318 WeakPolarHBondContact CG1-O 3.37Å; V88-H318 HydrophobicContact CG2-CB 4.43Å; C89-H318 PolarHBondContact N-O 2.65Å; H318-A352 WeakPolarHBondContact CD2-CB 3.21Å; H318-A352 WeakPolarHBondContact NE2-CB 3.46Å |
| 319 | T | 94.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 3% | 0.025 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.1 | -173.3 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | V4 K5 C89 F91 N312 L313 S317 | V4-T319 WeakPolarHBondContact CA-O 3.45Å; V4-T319 HydrophobicContact CG1-CG2 4.24Å; V4-T319 HydrophobicContact CG2-CG2 4.25Å; K5-T319 PolarHBondContact N-O 3.48Å; K5-T319 VanDerWaalsContact N-O 3.1Å; C89-T319 HydrophobicContact CB-CG2 4.19Å; C89-T319 WeakPolarHBondContact CB-OG1 3.29Å; C89-T319 CarbonylContact O-C 3.56Å; C89-T319 WeakPolarHBondContact O-CA 3.39Å; F91-T319 HydrophobicContact CD1-CG2 3.96Å; F91-T319 HydrophobicContact CE1-CG2 3.65Å; N312-T319 PolarHBondContact O-OG1 3.04Å; L313-T319 HydrophobicContact CD2-CG2 4.35Å; S317-T319 PolarHBondContact O-N 2.73Å; S317-T319 PolarHBondContact OG-OG1 2.96Å |
| 320 | T | 95.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 5% | 0.049 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.5 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | K5 I74 C89 I90 F91 | K5-T320 HydrophobicContact CB-CG2 4Å; K5-T320 CarbonylContact O-C 3.6Å; K5-T320 VanDerWaalsContact O-CA 3.28Å; K5-T320 WeakPolarHBondContact O-CA 3.45Å; I74-T320 HydrophobicContact CD1-CG2 4.25Å; I74-T320 HydrophobicContact CG1-CG2 4.5Å; I74-T320 HydrophobicContact CG2-CG2 3.74Å; C89-T320 PolarHBondContact O-N 3.34Å; I90-T320 WeakPolarHBondContact CA-O 3.48Å; F91-T320 PolarHBondContact N-O 2.82Å |
| 321 | M | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.7 | 171.1 | -179.4 | 176.7 | 172.8 | 0 | 0 | 110.5 | V4 K5 V6 A7 F91 Y93 A323 Y341 A342 A345 | V4-M321 HydrophobicContact CG1-CB 4.48Å; K5-M321 PolarHBondContact O-N 3.04Å; V6-M321 HydrophobicContact CG2-CB 4.36Å; A7-M321 PolarHBondContact N-O 2.72Å; F91-M321 HydrophobicContact CD2-CG 4.19Å; F91-M321 HydrophobicContact CE1-CB 3.92Å; F91-M321 HydrophobicContact CE1-CG 4.44Å; F91-M321 HydrophobicContact CE2-CB 3.9Å; F91-M321 HydrophobicContact CE2-CG 3.5Å; F91-M321 HydrophobicContact CE2-SD 3.92Å; F91-M321 HydrophobicContact CZ-CB 3.55Å; F91-M321 HydrophobicContact CZ-CG 3.66Å; F91-M321 HydrophobicContact CZ-SD 4.01Å; Y93-M321 HydrophobicContact CD1-CE 3.41Å; Y93-M321 VanDerWaalsContact CD1-CE 3.41Å; Y93-M321 HydrophobicContact CE1-CE 4.34Å; Y93-M321 HydrophobicContact CG-CE 3.7Å; M321-A323 HydrophobicContact CE-CB 4.03Å; M321-Y341 HydrophobicContact CE-CD1 3.64Å; M321-Y341 HydrophobicContact CE-CE1 4.27Å; M321-Y341 HydrophobicContact SD-CD1 4.31Å; M321-A342 HydrophobicContact CE-CB 4.08Å; M321-A342 HydrophobicContact SD-CB 4.37Å; M321-A345 HydrophobicContact SD-CB 3.56Å; M321-A345 VanDerWaalsContact SD-CB 3.56Å |
| 322 | I | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 102.8 | 170.6 | -54.8 | -179.7 | 0 | 0 | 0 | 109.4 | A7 I74 I90 F91 A92 Y93 T103 I116 A324 | A7-I322 CarbonylContact O-C 3.48Å; A7-I322 WeakPolarHBondContact O-CA 3.15Å; I74-I322 HydrophobicContact CD1-CD1 4.11Å; I74-I322 HydrophobicContact CD1-CG1 4.2Å; I74-I322 HydrophobicContact CG2-CD1 4.42Å; I90-I322 HydrophobicContact CG2-CD1 3.64Å; I90-I322 HydrophobicContact CG2-CG1 4.14Å; F91-I322 PolarHBondContact O-N 2.93Å; A92-I322 CarbonylContact C-O 3.59Å; A92-I322 WeakPolarHBondContact CA-O 3.42Å; Y93-I322 PolarHBondContact N-O 3.43Å; T103-I322 HydrophobicContact CG2-CD1 4.18Å; T103-I322 HydrophobicContact CG2-CG2 4.15Å; I116-I322 HydrophobicContact CD1-CD1 3.34Å; I322-A324 PolarHBondContact O-N 3.49Å |
| 323 | A | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 102.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A7 V8 R9 M321 L325 T338 A342 | A7-A323 PolarHBondContact O-N 2.85Å; V8-A323 CarbonylContact C-O 3.52Å; V8-A323 VanDerWaalsContact CA-O 3.29Å; V8-A323 WeakPolarHBondContact CA-O 3.39Å; V8-A323 HydrophobicContact CG1-CB 3.83Å; R9-A323 PolarHBondContact N-O 3.45Å; M321-A323 HydrophobicContact CE-CB 4.03Å; A323-L325 HydrophobicContact CB-CD2 4.46Å; A323-T338 HydrophobicContact CB-CG2 3.73Å; A323-A342 HydrophobicContact CB-CB 3.85Å |
| 324 | A | 96.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 129 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | R9 Y93 S98 K100 I322 | R9-A324 CarbonylContact O-C 3.59Å; R9-A324 WeakPolarHBondContact O-CA 3.27Å; Y93-A324 PolarHBondContact O-N 2.63Å; S98-A324 WeakPolarHBondContact CB-O 3.35Å; S98-A324 VanDerWaalsContact OG-CB 3.3Å; S98-A324 WeakPolarHBondContact OG-CB 3.29Å; S98-A324 PolarHBondContact OG-O 2.82Å; K100-A324 HydrophobicContact CG-CB 4.15Å; I322-A324 PolarHBondContact O-N 3.49Å |
| 325 | L | 97 | Very high | 93.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.8 | -168.3 | -51 | -176.5 | 0 | 0 | 0 | 111.8 | V8 R9 V10 R11 I26 M28 T33 A323 T335 T338 L339 | V8-L325 HydrophobicContact CB-CD1 4.06Å; V8-L325 HydrophobicContact CB-CG 4.47Å; R9-L325 PolarHBondContact O-N 2.76Å; V10-L325 HydrophobicContact CB-CB 4.35Å; R11-L325 PolarHBondContact N-O 2.73Å; I26-L325 HydrophobicContact CD1-CD1 4.49Å; M28-L325 HydrophobicContact CE-CD1 4.04Å; T33-L325 HydrophobicContact CG2-CD1 4.4Å; A323-L325 HydrophobicContact CB-CD2 4.46Å; L325-T335 HydrophobicContact CB-CG2 4.03Å; L325-T335 HydrophobicContact CD1-CG2 4.36Å; L325-T335 HydrophobicContact CD2-CG2 4.19Å; L325-T335 HydrophobicContact CG-CG2 4.42Å; L325-T338 HydrophobicContact CD2-CG2 3.55Å; L325-L339 HydrophobicContact CD1-CD2 3.91Å; L325-L339 HydrophobicContact CD1-CG 4.37Å; L325-L339 HydrophobicContact CD2-CD2 4.45Å; L325-L339 HydrophobicContact CD2-CG 4.36Å |
| 326 | S | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -79 | 138.2 | 160.8 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | E17 A328 N331 T335 | E17-S326 PolarHBondContact OE1-OG 2.81Å; S326-A328 PolarHBondContact O-N 2.74Å; S326-A328 PolarHBondContact OG-N 3.02Å; S326-A328 VanDerWaalsContact OG-N 3.12Å; S326-N331 PolarHBondContact OG-ND2 2.73Å; S326-T335 PolarHBondContact N-OG1 2.98Å; S326-T335 PolarHBondContact O-OG1 3.02Å | ||
| 327 | P | 95 | Very high | 94 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -70.6 | -16.4 | 171.4 | 31.1 | -37.8 | 0 | 0 | 0 | 113.7 | V10 R11 F13 C24 V25 H56 | V10-P327 HydrophobicContact CG2-CB 3.67Å; V10-P327 HydrophobicContact CG2-CG 4.38Å; R11-P327 WeakPolarHBondContact O-CD 3.35Å; R11-P327 WeakPolarHBondContact O-CG 3.49Å; F13-P327 HydrophobicContact CD1-CB 4.49Å; F13-P327 HydrophobicContact CD1-CG 3.68Å; F13-P327 HydrophobicContact CE1-CB 4.22Å; F13-P327 HydrophobicContact CE1-CG 3.87Å; F13-P327 HydrophobicContact CG-CG 4.31Å; C24-P327 WeakPolarHBondContact CA-O 3.41Å; V25-P327 VanDerWaalsContact CG2-O 3.31Å; V25-P327 WeakPolarHBondContact CG2-O 3.3Å; V25-P327 PolarHBondContact N-O 2.98Å; H56-P327 WeakPolarHBondContact CE1-CB 3.24Å; H56-P327 VanDerWaalsContact ND1-CB 3.32Å; H56-P327 WeakPolarHBondContact ND1-CB 3.47Å; H56-P327 WeakPolarHBondContact ND1-CG 3.37Å | ||
| 328 | A | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -90.2 | 141.2 | -158.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F13 E17 S326 V330 N331 | F13-A328 HydrophobicContact CD1-CB 4.17Å; F13-A328 HydrophobicContact CE1-CB 3.87Å; E17-A328 HydrophobicContact CB-CB 4.1Å; E17-A328 HydrophobicContact CG-CB 3.61Å; S326-A328 PolarHBondContact O-N 2.74Å; S326-A328 PolarHBondContact OG-N 3.02Å; S326-A328 VanDerWaalsContact OG-N 3.12Å; A328-V330 VanDerWaalsContact C-N 3.31Å; A328-V330 HydrophobicContact CB-CG2 4.02Å; A328-V330 PolarHBondContact O-N 2.91Å; A328-N331 PolarHBondContact O-N 3.27Å |
| 329 | D | 93.2 | Very high | 94.3 | Very high | 38 Ų | 38 | 17.8 Ų | 17.8 | 20% | 0.203 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -45.9 | -44.8 | 170.7 | 54.3 | 6.7 | 0 | 0 | 0 | 115 | S22 E23 V25 P38 N331 F332 | S22-D329 VanDerWaalsContact CA-OD1 3.32Å; S22-D329 WeakPolarHBondContact CA-OD1 3.38Å; S22-D329 WeakPolarHBondContact CB-OD1 3.42Å; S22-D329 PolarHBondContact OG-OD1 2.95Å; E23-D329 HydrophobicContact CB-CB 4.42Å; E23-D329 VanDerWaalsContact N-CG 3.33Å; E23-D329 PolarHBondContact N-OD2 3.07Å; E23-D329 PolarHBondContact O-N 3Å; V25-D329 HydrophobicContact CG1-CB 3.83Å; P38-D329 HydrophobicContact CB-CB 4.14Å; P38-D329 HydrophobicContact CG-CB 4.13Å; D329-N331 PolarHBondContact O-N 2.81Å; D329-F332 VanDerWaalsContact O-CB 3.26Å; D329-F332 WeakPolarHBondContact O-CB 3.38Å; D329-F332 PolarHBondContact O-N 2.77Å |
| 330 | V | 90.5 | Very high | 94.2 | Very high | 74 Ų | 74 | 24.1 Ų | 24.1 | 45% | 0.448 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -62.7 | -11.9 | 178.4 | -64.6 | 0 | 0 | 0 | 0 | 113.9 | E17 A328 | E17-V330 HydrophobicContact CG-CG2 4.31Å; A328-V330 VanDerWaalsContact C-N 3.31Å; A328-V330 HydrophobicContact CB-CG2 4.02Å; A328-V330 PolarHBondContact O-N 2.91Å |
| 331 | N | 90.9 | Very high | 94 | Very high | 28 Ų | 28 | 24.2 Ų | 24.2 | 15% | 0.15 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -113.9 | 9.2 | 177.3 | -65.9 | -63.1 | 0 | 0 | 0 | 113.1 | E17 Q95 S326 A328 D329 D333 E334 T335 | E17-N331 PolarHBondContact OE1-ND2 2.86Å; Q95-N331 PolarHBondContact NE2-OD1 3.25Å; S326-N331 PolarHBondContact OG-ND2 2.73Å; A328-N331 PolarHBondContact O-N 3.27Å; D329-N331 PolarHBondContact O-N 2.81Å; N331-D333 VanDerWaalsContact C-N 3.29Å; N331-D333 PolarHBondContact O-N 2.79Å; N331-D333 VanDerWaalsContact O-N 3.12Å; N331-E334 PolarHBondContact O-N 3.02Å; N331-E334 VanDerWaalsContact O-N 3.07Å; N331-T335 PolarHBondContact O-N 2.96Å |
| 332 | F | 92.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -47.2 | -46.3 | -172.4 | 169.7 | -92.5 | 0 | 0 | 0 | 113.8 | I35 K37 D329 L336 | I35-F332 HydrophobicContact CD1-CD2 3.56Å; I35-F332 HydrophobicContact CD1-CE2 3.7Å; I35-F332 HydrophobicContact CD1-CG 4.41Å; I35-F332 HydrophobicContact CG1-CD2 3.84Å; I35-F332 HydrophobicContact CG1-CE2 3.79Å; K37-F332 VanDerWaalsContact CA-CE2 3.42Å; K37-F332 HydrophobicContact CB-CD2 4.42Å; K37-F332 HydrophobicContact CB-CE1 4.27Å; K37-F332 HydrophobicContact CB-CE2 3.65Å; K37-F332 HydrophobicContact CB-CZ 3.56Å; K37-F332 HydrophobicContact CD-CE1 4.08Å; K37-F332 HydrophobicContact CD-CZ 4.04Å; K37-F332 HydrophobicContact CG-CD1 4.43Å; K37-F332 HydrophobicContact CG-CE1 3.9Å; K37-F332 HydrophobicContact CG-CE2 4.12Å; K37-F332 HydrophobicContact CG-CZ 3.72Å; D329-F332 VanDerWaalsContact O-CB 3.26Å; D329-F332 WeakPolarHBondContact O-CB 3.38Å; D329-F332 PolarHBondContact O-N 2.77Å; F332-L336 HydrophobicContact CE1-CD2 3.93Å; F332-L336 HydrophobicContact CZ-CD2 3.91Å; F332-L336 WeakPolarHBondContact O-CB 3.36Å; F332-L336 PolarHBondContact O-N 2.98Å |
| 333 | D | 91.4 | Very high | 93.8 | Very high | 120 Ų | 120 | 27.8 Ų | 27.8 | 64% | 0.642 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -71.5 | -35.3 | -177 | -72 | -54.9 | 0 | 0 | 0 | 113.4 | N331 S337 | N331-D333 VanDerWaalsContact C-N 3.29Å; N331-D333 PolarHBondContact O-N 2.79Å; N331-D333 VanDerWaalsContact O-N 3.12Å; D333-S337 VanDerWaalsContact O-CB 3.24Å; D333-S337 WeakPolarHBondContact O-CB 3.34Å; D333-S337 PolarHBondContact O-N 2.84Å |
| 334 | E | 91.2 | Very high | 93.5 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 15% | 0.145 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75.1 | -39.1 | 176.6 | -70.4 | -64.5 | 171 | 0 | 0 | 111.4 | Q95 E252 R253 N331 S337 T338 | Q95-E334 HydrophobicContact CB-CB 4.34Å; E252-E334 WeakPolarHBondContact CA-OE1 3.5Å; E252-E334 HydrophobicContact CB-CG 4.44Å; R253-E334 PolarHBondContact N-OE1 3.08Å; N331-E334 PolarHBondContact O-N 3.02Å; N331-E334 VanDerWaalsContact O-N 3.07Å; E334-S337 PolarHBondContact O-N 3.32Å; E334-T338 WeakPolarHBondContact O-CB 3.21Å; E334-T338 PolarHBondContact O-N 3.36Å; E334-T338 PolarHBondContact O-OG1 3.19Å |
| 335 | T | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 170.9 | -67 | 0 | 0 | 0 | 0 | 111.1 | I26 I35 L325 S326 N331 T338 L339 | I26-T335 HydrophobicContact CD1-CG2 3.68Å; I26-T335 HydrophobicContact CG1-CG2 4.12Å; I35-T335 HydrophobicContact CD1-CG2 3.95Å; L325-T335 HydrophobicContact CB-CG2 4.03Å; L325-T335 HydrophobicContact CD1-CG2 4.36Å; L325-T335 HydrophobicContact CD2-CG2 4.19Å; L325-T335 HydrophobicContact CG-CG2 4.42Å; S326-T335 PolarHBondContact N-OG1 2.98Å; S326-T335 PolarHBondContact O-OG1 3.02Å; N331-T335 PolarHBondContact O-N 2.96Å; T335-T338 WeakPolarHBondContact O-CB 3.43Å; T335-T338 PolarHBondContact O-N 2.85Å; T335-L339 HydrophobicContact CG2-CD1 4.22Å; T335-L339 WeakPolarHBondContact O-CG 3.24Å; T335-L339 PolarHBondContact O-N 2.9Å |
| 336 | L | 94.4 | Very high | 93 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -38 | 174.4 | 178.5 | 61.1 | 0 | 0 | 0 | 112.7 | I35 K45 F47 F332 T338 R340 | I35-L336 HydrophobicContact CD1-CB 4.18Å; I35-L336 HydrophobicContact CG2-CD1 4.09Å; K45-L336 HydrophobicContact CD-CD1 3.92Å; K45-L336 HydrophobicContact CD-CD2 4.43Å; F47-L336 HydrophobicContact CE2-CD1 4.1Å; F47-L336 HydrophobicContact CZ-CD1 3.92Å; F332-L336 HydrophobicContact CE1-CD2 3.93Å; F332-L336 HydrophobicContact CZ-CD2 3.91Å; F332-L336 WeakPolarHBondContact O-CB 3.36Å; F332-L336 PolarHBondContact O-N 2.98Å; L336-T338 VanDerWaalsContact C-N 3.34Å; L336-R340 HydrophobicContact CD1-CG 4.47Å; L336-R340 WeakPolarHBondContact O-CB 3.25Å; L336-R340 WeakPolarHBondContact O-CG 3.5Å; L336-R340 PolarHBondContact O-N 2.79Å; L336-R340 VanDerWaalsContact O-N 3.08Å |
| 337 | S | 92.1 | Very high | 92.7 | Very high | 46 Ų | 46 | 37.2 Ų | 37.2 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 173 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | D333 E334 R340 Y341 | D333-S337 VanDerWaalsContact O-CB 3.24Å; D333-S337 WeakPolarHBondContact O-CB 3.34Å; D333-S337 PolarHBondContact O-N 2.84Å; E334-S337 PolarHBondContact O-N 3.32Å; S337-R340 PolarHBondContact O-N 3.07Å; S337-Y341 WeakPolarHBondContact O-CB 3.4Å; S337-Y341 PolarHBondContact O-N 2.93Å |
| 338 | T | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | Y93 A323 L325 E334 T335 L336 Y341 A342 | Y93-T338 HydrophobicContact CD1-CG2 4Å; Y93-T338 HydrophobicContact CE1-CG2 4.16Å; A323-T338 HydrophobicContact CB-CG2 3.73Å; L325-T338 HydrophobicContact CD2-CG2 3.55Å; E334-T338 WeakPolarHBondContact O-CB 3.21Å; E334-T338 PolarHBondContact O-N 3.36Å; E334-T338 PolarHBondContact O-OG1 3.19Å; T335-T338 WeakPolarHBondContact O-CB 3.43Å; T335-T338 PolarHBondContact O-N 2.85Å; L336-T338 VanDerWaalsContact C-N 3.34Å; T338-Y341 WeakPolarHBondContact O-CB 3.43Å; T338-Y341 PolarHBondContact O-N 2.86Å; T338-Y341 VanDerWaalsContact O-N 3.13Å; T338-A342 WeakPolarHBondContact O-CB 3.4Å; T338-A342 PolarHBondContact O-N 2.81Å |
| 339 | L | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 175.1 | -72.6 | 164.6 | 0 | 0 | 0 | 112.2 | V8 I26 T33 I35 F47 F49 L325 T335 Y341 A342 D343 | V8-L339 HydrophobicContact CG1-CD2 4.22Å; I26-L339 HydrophobicContact CD1-CD1 4.23Å; T33-L339 HydrophobicContact CG2-CD2 3.85Å; I35-L339 HydrophobicContact CB-CD1 3.98Å; I35-L339 HydrophobicContact CD1-CD1 4.21Å; I35-L339 HydrophobicContact CG2-CD1 3.85Å; F47-L339 HydrophobicContact CD1-CB 4.45Å; F47-L339 HydrophobicContact CD2-CB 3.95Å; F47-L339 HydrophobicContact CD2-CD1 4.05Å; F47-L339 HydrophobicContact CD2-CD2 4.22Å; F47-L339 HydrophobicContact CD2-CG 4.31Å; F47-L339 HydrophobicContact CE1-CB 4.27Å; F47-L339 HydrophobicContact CE2-CB 3.75Å; F47-L339 HydrophobicContact CE2-CD1 3.93Å; F47-L339 HydrophobicContact CE2-CG 4.35Å; F47-L339 HydrophobicContact CG-CB 4.29Å; F47-L339 HydrophobicContact CZ-CB 3.92Å; F49-L339 HydrophobicContact CE2-CD2 3.53Å; F49-L339 HydrophobicContact CZ-CD2 3.74Å; L325-L339 HydrophobicContact CD1-CD2 3.91Å; L325-L339 HydrophobicContact CD1-CG 4.37Å; L325-L339 HydrophobicContact CD2-CD2 4.45Å; L325-L339 HydrophobicContact CD2-CG 4.36Å; T335-L339 HydrophobicContact CG2-CD1 4.22Å; T335-L339 WeakPolarHBondContact O-CG 3.24Å; T335-L339 PolarHBondContact O-N 2.9Å; L339-Y341 PolarHBondContact O-N 3.32Å; L339-A342 PolarHBondContact O-N 2.61Å; L339-D343 VanDerWaalsContact O-CB 3.29Å; L339-D343 WeakPolarHBondContact O-CB 3.28Å; L339-D343 PolarHBondContact O-N 3.32Å |
| 340 | R | 93.7 | Very high | 91.8 | Very high | 137 Ų | 137 | 38.7 Ų | 38.7 | 52% | 0.517 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.7 | -15.2 | 175.4 | -73.8 | 169.2 | 155.4 | -178.8 | -10.3 | 114.6 | F47 L336 S337 R344 | F47-R340 HydrophobicContact CE1-CG 4.09Å; F47-R340 HydrophobicContact CZ-CG 4.06Å; L336-R340 HydrophobicContact CD1-CG 4.47Å; L336-R340 WeakPolarHBondContact O-CB 3.25Å; L336-R340 WeakPolarHBondContact O-CG 3.5Å; L336-R340 PolarHBondContact O-N 2.79Å; L336-R340 VanDerWaalsContact O-N 3.08Å; S337-R340 PolarHBondContact O-N 3.07Å; R340-R344 PolarHBondContact O-NE 2.86Å |
| 341 | Y | 91.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -88.1 | -45.5 | 176.8 | -160.4 | -77.3 | 0 | 0 | 0 | 110.2 | Y93 L274 L277 G278 I281 M321 S337 T338 L339 R344 A345 | Y93-Y341 AromaticContact CD1-CD1 3.94Å; Y93-Y341 HydrophobicContact CD1-CD1 3.94Å; Y93-Y341 HydrophobicContact CD1-CE1 4.32Å; Y93-Y341 HydrophobicContact CD1-CG 4.28Å; Y93-Y341 HydrophobicContact CD2-CE1 4.09Å; Y93-Y341 AromaticContact CE1-CD1 3.69Å; Y93-Y341 HydrophobicContact CE1-CD1 3.69Å; Y93-Y341 HydrophobicContact CE1-CD2 4.02Å; Y93-Y341 HydrophobicContact CE1-CE1 4.13Å; Y93-Y341 HydrophobicContact CE1-CE2 4.47Å; Y93-Y341 AromaticContact CE1-CG 3.59Å; Y93-Y341 HydrophobicContact CE1-CG 3.59Å; Y93-Y341 HydrophobicContact CE2-CD1 4.26Å; Y93-Y341 HydrophobicContact CE2-CD2 4.43Å; Y93-Y341 AromaticContact CE2-CE1 3.85Å; Y93-Y341 HydrophobicContact CE2-CE1 3.85Å; Y93-Y341 HydrophobicContact CE2-CE2 4.07Å; Y93-Y341 HydrophobicContact CE2-CG 4.5Å; Y93-Y341 AromaticContact CE2-CZ 3.74Å; Y93-Y341 HydrophobicContact CG-CD1 4.38Å; Y93-Y341 HydrophobicContact CG-CE1 4.33Å; Y93-Y341 AromaticContact CZ-CD1 3.86Å; Y93-Y341 AromaticContact CZ-CD2 3.68Å; Y93-Y341 AromaticContact CZ-CE1 3.89Å; Y93-Y341 AromaticContact CZ-CE2 3.75Å; Y93-Y341 AromaticContact CZ-CG 3.72Å; Y93-Y341 AromaticContact CZ-CZ 3.83Å; Y93-Y341 WeakPolarHBondContact OH-CD2 3.29Å; Y93-Y341 WeakPolarHBondContact OH-CE2 3.43Å; L274-Y341 PolarHBondContact O-OH 2.91Å; L277-Y341 VanDerWaalsContact CB-OH 3.28Å; L277-Y341 WeakPolarHBondContact CB-OH 3.4Å; L277-Y341 WeakPolarHBondContact CD2-OH 3.44Å; L277-Y341 WeakPolarHBondContact CG-OH 3.24Å; G278-Y341 WeakPolarHBondContact CA-OH 3.09Å; G278-Y341 PolarHBondContact N-OH 3.44Å; I281-Y341 HydrophobicContact CD1-CD1 4.18Å; I281-Y341 HydrophobicContact CD1-CE1 3.33Å; M321-Y341 HydrophobicContact CE-CD1 3.64Å; M321-Y341 HydrophobicContact CE-CE1 4.27Å; M321-Y341 HydrophobicContact SD-CD1 4.31Å; S337-Y341 WeakPolarHBondContact O-CB 3.4Å; S337-Y341 PolarHBondContact O-N 2.93Å; T338-Y341 WeakPolarHBondContact O-CB 3.43Å; T338-Y341 PolarHBondContact O-N 2.86Å; T338-Y341 VanDerWaalsContact O-N 3.13Å; L339-Y341 PolarHBondContact O-N 3.32Å; Y341-R344 PolarHBondContact O-N 3.42Å; Y341-A345 PolarHBondContact O-N 2.82Å; Y341-A345 VanDerWaalsContact O-N 3.14Å |
| 342 | A | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.5 | -47.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | V6 V8 F49 M321 A323 T338 L339 R344 A345 K346 | V6-A342 HydrophobicContact CG1-CB 3.63Å; V8-A342 HydrophobicContact CG1-CB 4.35Å; F49-A342 HydrophobicContact CD1-CB 4.25Å; F49-A342 HydrophobicContact CE1-CB 3.54Å; F49-A342 HydrophobicContact CZ-CB 4.07Å; M321-A342 HydrophobicContact CE-CB 4.08Å; M321-A342 HydrophobicContact SD-CB 4.37Å; A323-A342 HydrophobicContact CB-CB 3.85Å; T338-A342 WeakPolarHBondContact O-CB 3.4Å; T338-A342 PolarHBondContact O-N 2.81Å; L339-A342 PolarHBondContact O-N 2.61Å; A342-R344 VanDerWaalsContact C-N 3.34Å; A342-R344 PolarHBondContact O-N 2.82Å; A342-A345 WeakPolarHBondContact O-CB 3.34Å; A342-A345 PolarHBondContact O-N 2.77Å; A342-A345 VanDerWaalsContact O-N 3.09Å; A342-K346 PolarHBondContact O-N 3.22Å |
| 343 | D | 93.3 | Very high | 91.1 | Very high | 75 Ų | 75 | 43.9 Ų | 43.9 | 40% | 0.401 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.9 | -45.4 | 179.1 | -179.4 | 65.7 | 0 | 0 | 0 | 112.6 | F47 F49 L339 K346 | F47-D343 HydrophobicContact CD1-CB 4.04Å; F47-D343 HydrophobicContact CE1-CB 4.4Å; F49-D343 HydrophobicContact CE1-CB 4.43Å; L339-D343 VanDerWaalsContact O-CB 3.29Å; L339-D343 WeakPolarHBondContact O-CB 3.28Å; L339-D343 PolarHBondContact O-N 3.32Å; D343-K346 WeakPolarHBondContact O-CB 3.3Å |
| 344 | R | 91.6 | Very high | 91 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 34% | 0.343 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.4 | -37.9 | 176 | -70.3 | -179.9 | -67 | 144 | 6.8 | 112.8 | I281 R340 Y341 A342 K346 S347 | I281-R344 HydrophobicContact CG2-CB 4.08Å; R340-R344 PolarHBondContact O-NE 2.86Å; Y341-R344 PolarHBondContact O-N 3.42Å; A342-R344 VanDerWaalsContact C-N 3.34Å; A342-R344 PolarHBondContact O-N 2.82Å; R344-K346 PolarHBondContact O-N 2.8Å; R344-S347 PolarHBondContact O-N 2.9Å; R344-S347 PolarHBondContact O-OG 3.16Å |
| 345 | A | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -35.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V6 I281 M321 Y341 A342 S347 I348 | V6-A345 HydrophobicContact CG2-CB 4.11Å; I281-A345 HydrophobicContact CG2-CB 4.28Å; M321-A345 HydrophobicContact SD-CB 3.56Å; M321-A345 VanDerWaalsContact SD-CB 3.56Å; Y341-A345 PolarHBondContact O-N 2.82Å; Y341-A345 VanDerWaalsContact O-N 3.14Å; A342-A345 WeakPolarHBondContact O-CB 3.34Å; A342-A345 PolarHBondContact O-N 2.77Å; A342-A345 VanDerWaalsContact O-N 3.09Å; A345-S347 PolarHBondContact O-N 3.46Å; A345-S347 VanDerWaalsContact O-N 3.08Å; A345-I348 WeakPolarHBondContact O-CB 3.19Å; A345-I348 WeakPolarHBondContact O-CG1 3.41Å; A345-I348 PolarHBondContact O-N 3.42Å |
| 346 | K | 91 | Very high | 90 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 27% | 0.274 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.3 | 178 | -163.3 | -179.9 | -171.7 | -179.4 | 0 | 113.9 | V6 E48 A342 D343 R344 | V6-K346 HydrophobicContact CB-CB 4.47Å; V6-K346 HydrophobicContact CG2-CB 3.82Å; V6-K346 HydrophobicContact CG2-CG 4.38Å; E48-K346 PolarHBondContact O-NZ 2.75Å; A342-K346 PolarHBondContact O-N 3.22Å; D343-K346 WeakPolarHBondContact O-CB 3.3Å; R344-K346 PolarHBondContact O-N 2.8Å |
| 347 | S | 87.6 | Confident | 88.8 | Confident | 46 Ų | 46 | 46 Ų | 46 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -1 | -178.6 | 70.1 | 0 | 0 | 0 | 0 | 114.9 | A285 S288 R344 A345 | A285-S347 WeakPolarHBondContact CA-OG 3.41Å; A285-S347 WeakPolarHBondContact CB-OG 3.48Å; S288-S347 VanDerWaalsContact CB-O 3.3Å; S288-S347 WeakPolarHBondContact CB-O 3.26Å; S288-S347 PolarHBondContact OG-O 2.92Å; R344-S347 PolarHBondContact O-N 2.9Å; R344-S347 PolarHBondContact O-OG 3.16Å; A345-S347 PolarHBondContact O-N 3.46Å; A345-S347 VanDerWaalsContact O-N 3.08Å |
| 348 | I | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -78.6 | 132.4 | 176.3 | -59.9 | 176.3 | 0 | 0 | 0 | 109.5 | S3 V4 I281 L284 A345 | S3-I348 CarbonylContact C-O 2.84Å; S3-I348 VanDerWaalsContact CA-O 3.29Å; S3-I348 WeakPolarHBondContact CA-O 3.16Å; V4-I348 HydrophobicContact CB-CB 4.32Å; V4-I348 HydrophobicContact CG2-CB 3.77Å; V4-I348 HydrophobicContact CG2-CG2 3.8Å; V4-I348 PolarHBondContact N-O 2.85Å; I281-I348 HydrophobicContact CB-CD1 4.06Å; I281-I348 HydrophobicContact CG1-CD1 3.72Å; I281-I348 HydrophobicContact CG2-CD1 4.07Å; L284-I348 HydrophobicContact CB-CB 4.47Å; L284-I348 HydrophobicContact CB-CD1 4.16Å; L284-I348 HydrophobicContact CB-CG1 3.81Å; L284-I348 HydrophobicContact CB-CG2 4.13Å; L284-I348 HydrophobicContact CD1-CD1 4.2Å; L284-I348 HydrophobicContact CD1-CG2 4.02Å; A345-I348 WeakPolarHBondContact O-CB 3.19Å; A345-I348 WeakPolarHBondContact O-CG1 3.41Å; A345-I348 PolarHBondContact O-N 3.42Å | ||
| 349 | V | 87.2 | Confident | 85.9 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.3 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | M1 S2 | M1-V349 HydrophobicContact CB-CG1 3.93Å; M1-V349 HydrophobicContact SD-CG1 4.19Å; S2-V349 CarbonylContact O-C 3.55Å |
| 350 | C | 88.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 157.9 | 173.1 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | M1 S2 N312 G314 S317 | M1-C350 WeakPolarHBondContact CA-O 3.5Å; S2-C350 PolarHBondContact N-O 3.35Å; S2-C350 PolarHBondContact O-N 3.47Å; N312-C350 PolarHBondContact O-SG 3.37Å; G314-C350 PolarHBondContact N-SG 2.76Å; S317-C350 VanDerWaalsContact O-CB 3.27Å; S317-C350 WeakPolarHBondContact O-CB 3.26Å |
| 351 | K | 86.9 | Confident | 83.2 | Confident | 131 Ų | 131 | 46.8 Ų | 46.8 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | trans | -120.6 | 61.2 | 178.7 | -66.9 | -166.7 | 175.5 | -167.5 | 0 | 110.2 | M1 G315 N316 | M1-K351 HydrophobicContact CG-CG 4.19Å; M1-K351 HydrophobicContact SD-CD 4.5Å; M1-K351 HydrophobicContact SD-CG 4.18Å; G315-K351 CarbonylContact O-C 3.56Å; G315-K351 PolarHBondContact O-N 3.16Å; N316-K351 WeakPolarHBondContact CA-O 3.38Å | ||
| 352 | A | 86.9 | Confident | 82 | Confident | 14 Ų | 14 | 50 Ų | 50 | 12% | 0.116 | 27% | 0.269 | C | S | . | . | trans | -59.5 | 139.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y86 N316 H318 | Y86-A352 HydrophobicContact CD1-CB 3.82Å; Y86-A352 HydrophobicContact CE1-CB 4.36Å; N316-A352 VanDerWaalsContact OD1-CA 3.31Å; N316-A352 WeakPolarHBondContact OD1-CA 3.02Å; H318-A352 WeakPolarHBondContact CD2-CB 3.21Å; H318-A352 WeakPolarHBondContact NE2-CB 3.46Å | ||
| 353 | V | 86.3 | Confident | 80.7 | Confident | 80 Ų | 80 | 50.4 Ų | 50.4 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | trans | -133.1 | 156.4 | 172.6 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | Y86 N316 N355 | Y86-V353 WeakPolarHBondContact CD1-O 3.48Å; Y86-V353 VanDerWaalsContact CE1-C 3.48Å; N316-V353 WeakPolarHBondContact ND2-CG2 3.16Å; N316-V353 PolarHBondContact OD1-N 3.48Å; N316-V353 PolarHBondContact OD1-O 2.87Å; V353-N355 PolarHBondContact O-N 2.9Å | ||
| 354 | I | 88.9 | Confident | 79.6 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -72.5 | 123 | 173 | -57.8 | 178.8 | 0 | 0 | 0 | 107.7 | E84 Y86 E356 | E84-I354 WeakPolarHBondContact O-CG2 3.46Å; Y86-I354 HydrophobicContact CD1-CG1 4.27Å; Y86-I354 HydrophobicContact CD2-CG1 4.32Å; Y86-I354 HydrophobicContact CE1-CG1 3.72Å; Y86-I354 HydrophobicContact CE2-CD1 4.32Å; Y86-I354 HydrophobicContact CE2-CG1 3.77Å; Y86-I354 VanDerWaalsContact CZ-CG1 3.43Å; I354-E356 VanDerWaalsContact C-N 3.3Å; I354-E356 HydrophobicContact CG2-CG 3.99Å; I354-E356 PolarHBondContact O-N 3.01Å |
| 355 | N | 85.1 | Confident | 78.7 | Confident | 35 Ų | 35 | 52 Ų | 52 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | trans | -84.4 | 72.3 | 178.7 | -56.1 | -35.2 | 0 | 0 | 0 | 110.1 | G85 N87 K239 V240 N316 V353 | G85-N355 WeakPolarHBondContact O-CB 3.36Å; G85-N355 PolarHBondContact O-N 2.84Å; N87-N355 VanDerWaalsContact CG-ND2 3.29Å; N87-N355 PolarHBondContact OD1-ND2 2.82Å; K239-N355 WeakPolarHBondContact CA-O 3.35Å; V240-N355 PolarHBondContact N-O 3.49Å; V240-N355 WeakPolarHBondContact O-CB 3.42Å; V240-N355 PolarHBondContact O-ND2 2.87Å; N316-N355 PolarHBondContact ND2-OD1 2.76Å; V353-N355 PolarHBondContact O-N 2.9Å | ||
| 356 | E | 80.3 | Confident | 77.7 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -87.3 | 148.3 | 166.3 | -82.1 | 170.9 | -134.3 | 0 | 0 | 110.8 | E238 K239 I354 P358 V361 R364 | E238-E356 CarbonylContact O-C 3.59Å; E238-E356 WeakPolarHBondContact O-CA 3.03Å; K239-E356 WeakPolarHBondContact CE-OE1 3.35Å; K239-E356 HydrophobicContact CG-CG 3.58Å; K239-E356 IonicContact NZ-OE1 3.79Å; K239-E356 PolarHBondContact NZ-OE1 2.92Å; I354-E356 VanDerWaalsContact C-N 3.3Å; I354-E356 HydrophobicContact CG2-CG 3.99Å; I354-E356 PolarHBondContact O-N 3.01Å; E356-P358 WeakPolarHBondContact O-CD 3.49Å; E356-V361 HydrophobicContact CB-CG2 3.54Å; E356-R364 IonicContact OE2-CZ 3.02Å; E356-R364 VanDerWaalsContact OE2-CZ 3.25Å; E356-R364 IonicContact OE2-NH1 3.03Å; E356-R364 PolarHBondContact OE2-NH1 3.27Å; E356-R364 IonicContact OE2-NH2 3.73Å; E356-R364 PolarHBondContact OE2-NH2 3.22Å |
| 357 | D | 69.1 | Low | 76.9 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | trans | -54.3 | 119.5 | 168.4 | 168.7 | 19.6 | 0 | 0 | 0 | 109.7 | E238 T359 A360 V361 | E238-D357 HydrophobicContact CB-CB 4.34Å; E238-D357 PolarHBondContact O-N 3.1Å; D357-T359 PolarHBondContact O-N 3.31Å; D357-T359 VanDerWaalsContact O-N 3.12Å; D357-T359 WeakPolarHBondContact OD1-CB 3.4Å; D357-T359 PolarHBondContact OD1-N 2.98Å; D357-T359 PolarHBondContact OD1-OG1 3.46Å; D357-T359 VanDerWaalsContact OD2-CB 3.29Å; D357-T359 WeakPolarHBondContact OD2-CB 3.23Å; D357-T359 PolarHBondContact OD2-OG1 3.07Å; D357-A360 HydrophobicContact CB-CB 4.22Å; D357-A360 PolarHBondContact O-N 3.27Å; D357-V361 PolarHBondContact O-N 2.99Å | ||
| 358 | P | 64.6 | Low | 76.5 | Confident | 101 Ų | 101 | 51.7 Ų | 51.7 | 66% | 0.656 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.5 | -26.2 | -179.5 | 25.1 | -35.1 | 0 | 0 | 0 | 112.4 | E356 L362 | E356-P358 WeakPolarHBondContact O-CD 3.49Å; P358-L362 WeakPolarHBondContact O-CB 3.14Å; P358-L362 PolarHBondContact O-N 3.25Å |
| 359 | T | 60.3 | Low | 75.6 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 172.8 | -34.9 | 0 | 0 | 0 | 0 | 110.7 | D357 I363 L424 | D357-T359 PolarHBondContact O-N 3.31Å; D357-T359 VanDerWaalsContact O-N 3.12Å; D357-T359 WeakPolarHBondContact OD1-CB 3.4Å; D357-T359 PolarHBondContact OD1-N 2.98Å; D357-T359 PolarHBondContact OD1-OG1 3.46Å; D357-T359 VanDerWaalsContact OD2-CB 3.29Å; D357-T359 WeakPolarHBondContact OD2-CB 3.23Å; D357-T359 PolarHBondContact OD2-OG1 3.07Å; T359-I363 VanDerWaalsContact O-CG1 3.26Å; T359-I363 WeakPolarHBondContact O-CG1 3.14Å; T359-I363 PolarHBondContact O-N 3.46Å; T359-I363 VanDerWaalsContact O-N 3.09Å; T359-L424 HydrophobicContact CG2-CD2 3.67Å |
| 360 | A | 65.2 | Low | 75 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.5 | -37.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D357 I363 R364 | D357-A360 HydrophobicContact CB-CB 4.22Å; D357-A360 PolarHBondContact O-N 3.27Å; A360-I363 PolarHBondContact O-N 3.11Å; A360-R364 PolarHBondContact O-N 3.26Å; A360-R364 VanDerWaalsContact O-N 3.14Å |
| 361 | V | 67.8 | Low | 74.6 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | 172.3 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | E356 D357 I363 R364 E365 | E356-V361 HydrophobicContact CB-CG2 3.54Å; D357-V361 PolarHBondContact O-N 2.99Å; V361-I363 PolarHBondContact O-N 2.64Å; V361-R364 WeakPolarHBondContact O-CB 3.48Å; V361-R364 PolarHBondContact O-N 3.1Å; V361-E365 HydrophobicContact CG1-CG 4.38Å; V361-E365 PolarHBondContact O-N 2.8Å |
| 362 | L | 65.5 | Low | 74.1 | Confident | 76 Ų | 76 | 55 Ų | 55 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 179.1 | 179.9 | 61.1 | 0 | 0 | 0 | 112.3 | P358 R364 E365 L366 L424 | P358-L362 WeakPolarHBondContact O-CB 3.14Å; P358-L362 PolarHBondContact O-N 3.25Å; L362-R364 VanDerWaalsContact C-N 3.32Å; L362-R364 PolarHBondContact O-N 2.87Å; L362-E365 PolarHBondContact O-N 3.37Å; L362-L366 HydrophobicContact CD1-CD1 4Å; L362-L366 HydrophobicContact CD1-CG 4.08Å; L362-L366 HydrophobicContact CG-CD1 3.86Å; L362-L366 HydrophobicContact CG-CG 4.4Å; L362-L366 WeakPolarHBondContact O-CB 3.49Å; L362-L366 WeakPolarHBondContact O-CD1 3.13Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 2.86Å; L362-L424 HydrophobicContact CD2-CD1 3.75Å; L362-L424 HydrophobicContact CD2-CD2 4.49Å; L362-L424 HydrophobicContact CG-CD1 3.9Å |
| 363 | I | 67.2 | Low | 73.6 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 175 | -60 | 158.9 | 0 | 0 | 0 | 111.4 | T235 T359 A360 V361 K367 L424 | T235-I363 HydrophobicContact CG2-CB 4.18Å; T235-I363 HydrophobicContact CG2-CD1 4.15Å; T235-I363 HydrophobicContact CG2-CG2 3.5Å; T359-I363 VanDerWaalsContact O-CG1 3.26Å; T359-I363 WeakPolarHBondContact O-CG1 3.14Å; T359-I363 PolarHBondContact O-N 3.46Å; T359-I363 VanDerWaalsContact O-N 3.09Å; A360-I363 PolarHBondContact O-N 3.11Å; V361-I363 PolarHBondContact O-N 2.64Å; I363-K367 HydrophobicContact CG2-CD 3.82Å; I363-K367 HydrophobicContact CG2-CG 4.31Å; I363-K367 WeakPolarHBondContact O-CB 3.3Å; I363-K367 VanDerWaalsContact O-CG 3.32Å; I363-K367 WeakPolarHBondContact O-CG 3.46Å; I363-K367 PolarHBondContact O-N 3.21Å; I363-L424 HydrophobicContact CD1-CB 3.76Å; I363-L424 HydrophobicContact CG1-CB 3.42Å; I363-L424 VanDerWaalsContact CG1-CB 3.42Å; I363-L424 HydrophobicContact CG1-CD1 3.98Å; I363-L424 HydrophobicContact CG1-CG 4.3Å |
| 364 | R | 70.2 | Confident | 73.2 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 28% | 0.275 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 179.6 | -163.5 | -170.5 | -64.1 | 127.2 | -3 | 111.1 | Y233 E356 A360 V361 L362 K367 A368 | Y233-R364 HydrophobicContact CD2-CG 4.33Å; Y233-R364 HydrophobicContact CE2-CG 4.19Å; E356-R364 IonicContact OE2-CZ 3.02Å; E356-R364 VanDerWaalsContact OE2-CZ 3.25Å; E356-R364 IonicContact OE2-NH1 3.03Å; E356-R364 PolarHBondContact OE2-NH1 3.27Å; E356-R364 IonicContact OE2-NH2 3.73Å; E356-R364 PolarHBondContact OE2-NH2 3.22Å; A360-R364 PolarHBondContact O-N 3.26Å; A360-R364 VanDerWaalsContact O-N 3.14Å; V361-R364 WeakPolarHBondContact O-CB 3.48Å; V361-R364 PolarHBondContact O-N 3.1Å; L362-R364 VanDerWaalsContact C-N 3.32Å; L362-R364 PolarHBondContact O-N 2.87Å; R364-K367 PolarHBondContact O-N 2.91Å; R364-A368 PolarHBondContact O-N 3.47Å |
| 365 | E | 73.4 | Confident | 72.7 | Confident | 125 Ų | 125 | 55.9 Ų | 55.9 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.7 | -46.8 | 175.9 | -70 | -179.7 | 164.1 | 0 | 0 | 111.8 | V361 L362 K367 A368 E369 | V361-E365 HydrophobicContact CG1-CG 4.38Å; V361-E365 PolarHBondContact O-N 2.8Å; L362-E365 PolarHBondContact O-N 3.37Å; E365-K367 VanDerWaalsContact C-N 3.35Å; E365-K367 PolarHBondContact O-N 3Å; E365-A368 WeakPolarHBondContact O-CB 3.44Å; E365-A368 PolarHBondContact O-N 3.23Å; E365-E369 PolarHBondContact O-N 2.9Å |
| 366 | L | 71.3 | Confident | 72.2 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.9 | -71.6 | 167.6 | 0 | 0 | 0 | 112.3 | L362 E369 V370 L420 I421 L424 | L362-L366 HydrophobicContact CD1-CD1 4Å; L362-L366 HydrophobicContact CD1-CG 4.08Å; L362-L366 HydrophobicContact CG-CD1 3.86Å; L362-L366 HydrophobicContact CG-CG 4.4Å; L362-L366 WeakPolarHBondContact O-CB 3.49Å; L362-L366 WeakPolarHBondContact O-CD1 3.13Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 2.86Å; L366-E369 PolarHBondContact O-N 2.98Å; L366-V370 WeakPolarHBondContact O-CB 3.39Å; L366-V370 WeakPolarHBondContact O-CG2 3.33Å; L366-V370 PolarHBondContact O-N 2.9Å; L366-L420 HydrophobicContact CD1-CB 3.67Å; L366-L420 HydrophobicContact CD1-CD1 4.46Å; L366-L420 HydrophobicContact CD2-CD1 4.18Å; L366-I421 HydrophobicContact CB-CD1 3.87Å; L366-I421 HydrophobicContact CB-CG1 3.56Å; L366-I421 HydrophobicContact CD1-CG1 4.23Å; L366-L424 HydrophobicContact CD1-CD1 3.76Å |
| 367 | K | 74.3 | Confident | 71.9 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.8 | -35.1 | 176.2 | -76.1 | 175.2 | -175.1 | 170.2 | 0 | 112.2 | Y233 I363 R364 E365 A371 I421 N425 | Y233-K367 HydrophobicContact CD1-CB 3.88Å; Y233-K367 HydrophobicContact CD1-CD 3.99Å; Y233-K367 HydrophobicContact CE1-CB 4.22Å; Y233-K367 HydrophobicContact CG-CD 4.35Å; Y233-K367 PolarHBondContact O-NZ 3.37Å; I363-K367 HydrophobicContact CG2-CD 3.82Å; I363-K367 HydrophobicContact CG2-CG 4.31Å; I363-K367 WeakPolarHBondContact O-CB 3.3Å; I363-K367 VanDerWaalsContact O-CG 3.32Å; I363-K367 WeakPolarHBondContact O-CG 3.46Å; I363-K367 PolarHBondContact O-N 3.21Å; R364-K367 PolarHBondContact O-N 2.91Å; E365-K367 VanDerWaalsContact C-N 3.35Å; E365-K367 PolarHBondContact O-N 3Å; K367-A371 PolarHBondContact O-N 2.88Å; K367-A371 VanDerWaalsContact O-N 3.09Å; K367-I421 HydrophobicContact CG-CD1 3.85Å; K367-I421 HydrophobicContact CG-CG1 4.25Å; K367-I421 HydrophobicContact CG-CG2 4.28Å; K367-N425 PolarHBondContact NZ-ND2 2.85Å; K367-N425 PolarHBondContact NZ-OD1 3.27Å |
| 368 | A | 77.9 | Confident | 72.1 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R364 E365 A371 R372 | R364-A368 PolarHBondContact O-N 3.47Å; E365-A368 WeakPolarHBondContact O-CB 3.44Å; E365-A368 PolarHBondContact O-N 3.23Å; A368-A371 WeakPolarHBondContact O-CB 3.47Å; A368-A371 PolarHBondContact O-N 2.87Å; A368-R372 PolarHBondContact O-N 2.78Å |
| 369 | E | 71.6 | Confident | 72.5 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 177.6 | -175.5 | 58.1 | -166.2 | 0 | 0 | 112.3 | E365 L366 A371 R372 L373 | E365-E369 PolarHBondContact O-N 2.9Å; L366-E369 PolarHBondContact O-N 2.98Å; E369-A371 VanDerWaalsContact C-N 3.26Å; E369-A371 PolarHBondContact O-N 3.09Å; E369-R372 VanDerWaalsContact CD-NE 3.35Å; E369-R372 WeakPolarHBondContact O-CA 3.1Å; E369-R372 WeakPolarHBondContact O-CB 3.41Å; E369-R372 PolarHBondContact O-N 3.37Å; E369-R372 IonicContact OE1-CZ 2.76Å; E369-R372 IonicContact OE1-NE 3.18Å; E369-R372 PolarHBondContact OE1-NE 2.8Å; E369-R372 VanDerWaalsContact OE1-NE 3.17Å; E369-R372 IonicContact OE1-NH2 2.63Å; E369-R372 PolarHBondContact OE1-NH2 3.44Å; E369-R372 WeakPolarHBondContact OE2-CD 3.34Å; E369-R372 IonicContact OE2-CZ 2.87Å; E369-R372 IonicContact OE2-NE 3.69Å; E369-R372 PolarHBondContact OE2-NE 2.86Å; E369-R372 IonicContact OE2-NH2 2.87Å; E369-L373 HydrophobicContact CG-CD1 4.05Å; E369-L373 HydrophobicContact CG-CG 4.32Å; E369-L373 WeakPolarHBondContact O-CG 3.29Å; E369-L373 PolarHBondContact O-N 3.26Å |
| 370 | V | 74.6 | Confident | 72.7 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 171 | 167 | 0 | 0 | 0 | 0 | 111.5 | L366 K374 S417 E418 I421 | L366-V370 WeakPolarHBondContact O-CB 3.39Å; L366-V370 WeakPolarHBondContact O-CG2 3.33Å; L366-V370 PolarHBondContact O-N 2.9Å; V370-K374 HydrophobicContact CG1-CD 3.89Å; V370-K374 VanDerWaalsContact O-CB 3.28Å; V370-K374 WeakPolarHBondContact O-CB 3.45Å; V370-K374 VanDerWaalsContact O-CG 3.22Å; V370-K374 WeakPolarHBondContact O-CG 3.3Å; V370-K374 PolarHBondContact O-N 2.89Å; V370-S417 VanDerWaalsContact CG2-CB 3.48Å; V370-E418 HydrophobicContact CG1-CG 4.14Å; V370-E418 HydrophobicContact CG2-CG 3.97Å; V370-I421 HydrophobicContact CB-CD1 4.29Å; V370-I421 HydrophobicContact CG2-CD1 3.65Å |
| 371 | A | 78.6 | Confident | 72.4 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K367 A368 E369 Q375 | K367-A371 PolarHBondContact O-N 2.88Å; K367-A371 VanDerWaalsContact O-N 3.09Å; A368-A371 WeakPolarHBondContact O-CB 3.47Å; A368-A371 PolarHBondContact O-N 2.87Å; E369-A371 VanDerWaalsContact C-N 3.26Å; E369-A371 PolarHBondContact O-N 3.09Å; A371-Q375 WeakPolarHBondContact O-CB 3.26Å; A371-Q375 PolarHBondContact O-N 3.04Å |
| 372 | R | 77.1 | Confident | 71.9 | Confident | 134 Ų | 134 | 70 Ų | 70 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.2 | -49.3 | 176.2 | -164.5 | -174.9 | 74.8 | 90.8 | 5.4 | 112 | A368 E369 Q375 I376 | A368-R372 PolarHBondContact O-N 2.78Å; E369-R372 VanDerWaalsContact CD-NE 3.35Å; E369-R372 WeakPolarHBondContact O-CA 3.1Å; E369-R372 WeakPolarHBondContact O-CB 3.41Å; E369-R372 PolarHBondContact O-N 3.37Å; E369-R372 IonicContact OE1-CZ 2.76Å; E369-R372 IonicContact OE1-NE 3.18Å; E369-R372 PolarHBondContact OE1-NE 2.8Å; E369-R372 VanDerWaalsContact OE1-NE 3.17Å; E369-R372 IonicContact OE1-NH2 2.63Å; E369-R372 PolarHBondContact OE1-NH2 3.44Å; E369-R372 WeakPolarHBondContact OE2-CD 3.34Å; E369-R372 IonicContact OE2-CZ 2.87Å; E369-R372 IonicContact OE2-NE 3.69Å; E369-R372 PolarHBondContact OE2-NE 2.86Å; E369-R372 IonicContact OE2-NH2 2.87Å; R372-Q375 WeakPolarHBondContact O-CB 3.25Å; R372-Q375 PolarHBondContact O-N 2.74Å; R372-Q375 VanDerWaalsContact O-N 3.09Å; R372-I376 HydrophobicContact CG-CD1 4.36Å; R372-I376 WeakPolarHBondContact O-CG1 3.33Å; R372-I376 PolarHBondContact O-N 2.58Å |
| 373 | L | 76.7 | Confident | 71.4 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.4 | -67.1 | 170.7 | 0 | 0 | 0 | 111.6 | E369 Q375 I376 L377 A413 L414 | E369-L373 HydrophobicContact CG-CD1 4.05Å; E369-L373 HydrophobicContact CG-CG 4.32Å; E369-L373 WeakPolarHBondContact O-CG 3.29Å; E369-L373 PolarHBondContact O-N 3.26Å; L373-Q375 PolarHBondContact O-N 3.33Å; L373-I376 PolarHBondContact O-N 2.79Å; L373-L377 WeakPolarHBondContact O-CG 3.07Å; L373-L377 PolarHBondContact O-N 2.82Å; L373-A413 HydrophobicContact CD1-CB 4.09Å; L373-L414 HydrophobicContact CB-CB 4.41Å; L373-L414 HydrophobicContact CB-CD1 4.39Å; L373-L414 HydrophobicContact CD1-CB 4.2Å |
| 374 | K | 78.1 | Confident | 70.6 | Confident | 85 Ų | 85 | 77 Ų | 77 | 37% | 0.37 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65 | -25.7 | 173.5 | -74.1 | 175 | 179.4 | 175.3 | 0 | 113.4 | V370 R378 L414 E418 | V370-K374 HydrophobicContact CG1-CD 3.89Å; V370-K374 VanDerWaalsContact O-CB 3.28Å; V370-K374 WeakPolarHBondContact O-CB 3.45Å; V370-K374 VanDerWaalsContact O-CG 3.22Å; V370-K374 WeakPolarHBondContact O-CG 3.3Å; V370-K374 PolarHBondContact O-N 2.89Å; K374-R378 VanDerWaalsContact O-CD 3.31Å; K374-R378 WeakPolarHBondContact O-CD 3.43Å; K374-R378 WeakPolarHBondContact O-CG 3.37Å; K374-R378 PolarHBondContact O-N 3.43Å; K374-L414 HydrophobicContact CG-CD1 3.69Å; K374-E418 VanDerWaalsContact CE-OE1 3.28Å; K374-E418 WeakPolarHBondContact CE-OE1 3.12Å; K374-E418 IonicContact NZ-OE1 3.24Å; K374-E418 PolarHBondContact NZ-OE1 2.7Å |
| 375 | Q | 77 | Confident | 69.4 | Low | 92 Ų | 92 | 77 Ų | 77 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -78.7 | -34.2 | 173.7 | -168.6 | 66.7 | 4 | 0 | 0 | 112.2 | A371 R372 L373 M379 | A371-Q375 WeakPolarHBondContact O-CB 3.26Å; A371-Q375 PolarHBondContact O-N 3.04Å; R372-Q375 WeakPolarHBondContact O-CB 3.25Å; R372-Q375 PolarHBondContact O-N 2.74Å; R372-Q375 VanDerWaalsContact O-N 3.09Å; L373-Q375 PolarHBondContact O-N 3.33Å; Q375-M379 HydrophobicContact CG-CE 4.24Å; Q375-M379 WeakPolarHBondContact O-CG 3.29Å; Q375-M379 PolarHBondContact O-N 3.45Å |
| 376 | I | 76.3 | Confident | 68 | Low | 45 Ų | 45 | 75.3 Ų | 75.3 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64 | -53.4 | 174.5 | -70.6 | 163.9 | 0 | 0 | 0 | 110.5 | R372 L373 R378 M379 E380 | R372-I376 HydrophobicContact CG-CD1 4.36Å; R372-I376 WeakPolarHBondContact O-CG1 3.33Å; R372-I376 PolarHBondContact O-N 2.58Å; L373-I376 PolarHBondContact O-N 2.79Å; I376-R378 PolarHBondContact O-N 3.25Å; I376-M379 WeakPolarHBondContact O-CA 3.28Å; I376-M379 WeakPolarHBondContact O-CB 3.33Å; I376-M379 PolarHBondContact O-N 2.96Å; I376-E380 HydrophobicContact CG2-CG 4.49Å; I376-E380 WeakPolarHBondContact CG2-OE1 2.95Å; I376-E380 PolarHBondContact O-N 3.07Å |
| 377 | L | 73.8 | Confident | 66.8 | Low | 36 Ų | 36 | 81.2 Ų | 81.2 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.4 | -38.3 | 178.1 | -68.2 | 166.8 | 0 | 0 | 0 | 112.4 | L373 M379 E380 D381 L411 L414 | L373-L377 WeakPolarHBondContact O-CG 3.07Å; L373-L377 PolarHBondContact O-N 2.82Å; L377-M379 VanDerWaalsContact C-N 3.34Å; L377-M379 PolarHBondContact O-N 2.86Å; L377-E380 WeakPolarHBondContact CA-OE2 3.45Å; L377-E380 PolarHBondContact O-N 2.88Å; L377-D381 PolarHBondContact O-N 3.19Å; L377-L411 HydrophobicContact CD1-CD1 4.37Å; L377-L414 HydrophobicContact CD1-CD1 3.54Å |
| 378 | R | 73.8 | Confident | 65 | Low | 160 Ų | 160 | 85.2 Ų | 85.2 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.4 | -31.2 | 174.3 | -78 | 170.8 | 173.7 | 177.9 | -3.5 | 114 | K374 I376 Q382 | K374-R378 VanDerWaalsContact O-CD 3.31Å; K374-R378 WeakPolarHBondContact O-CD 3.43Å; K374-R378 WeakPolarHBondContact O-CG 3.37Å; K374-R378 PolarHBondContact O-N 3.43Å; I376-R378 PolarHBondContact O-N 3.25Å; R378-Q382 WeakPolarHBondContact O-CB 3.45Å; R378-Q382 WeakPolarHBondContact O-CG 3.24Å; R378-Q382 PolarHBondContact O-N 2.87Å |
| 379 | M | 72.4 | Confident | 62.9 | Low | 109 Ų | 109 | 89.2 Ų | 89.2 | 54% | 0.537 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -77.3 | -36.5 | 174.9 | -69.9 | -179.2 | 178.1 | 0 | 0 | 111.1 | Q375 I376 L377 Q382 M383 | Q375-M379 HydrophobicContact CG-CE 4.24Å; Q375-M379 WeakPolarHBondContact O-CG 3.29Å; Q375-M379 PolarHBondContact O-N 3.45Å; I376-M379 WeakPolarHBondContact O-CA 3.28Å; I376-M379 WeakPolarHBondContact O-CB 3.33Å; I376-M379 PolarHBondContact O-N 2.96Å; L377-M379 VanDerWaalsContact C-N 3.34Å; L377-M379 PolarHBondContact O-N 2.86Å; M379-Q382 PolarHBondContact O-N 3.26Å; M379-M383 PolarHBondContact O-N 2.75Å |
| 380 | E | 64.2 | Low | 60.9 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 23% | 0.229 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.6 | -44 | 177.2 | -71 | 160.8 | 163 | 0 | 0 | 111.5 | I376 L377 Q382 M383 K384 | I376-E380 HydrophobicContact CG2-CG 4.49Å; I376-E380 WeakPolarHBondContact CG2-OE1 2.95Å; I376-E380 PolarHBondContact O-N 3.07Å; L377-E380 WeakPolarHBondContact CA-OE2 3.45Å; L377-E380 PolarHBondContact O-N 2.88Å; E380-Q382 VanDerWaalsContact C-N 3.3Å; E380-Q382 PolarHBondContact O-N 2.84Å; E380-M383 PolarHBondContact O-N 2.76Å; E380-K384 VanDerWaalsContact O-CG 3.27Å; E380-K384 WeakPolarHBondContact O-CG 3.42Å; E380-K384 PolarHBondContact O-N 3.48Å |
| 381 | D | 58.4 | Low | 58.8 | Low | 102 Ų | 102 | 94.9 Ų | 94.9 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 170.9 | -82.1 | -19.2 | 0 | 0 | 0 | 112.4 | L377 K384 T385 | L377-D381 PolarHBondContact O-N 3.19Å; D381-K384 PolarHBondContact O-N 3.01Å; D381-T385 WeakPolarHBondContact O-CB 3.44Å; D381-T385 PolarHBondContact O-N 2.86Å; D381-T385 PolarHBondContact O-OG1 2.78Å |
| 382 | Q | 58.7 | Low | 56.4 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.5 | -32.3 | 176.5 | -75.1 | 174.1 | 25.2 | 0 | 0 | 112.4 | R378 M379 E380 T385 S386 | R378-Q382 WeakPolarHBondContact O-CB 3.45Å; R378-Q382 WeakPolarHBondContact O-CG 3.24Å; R378-Q382 PolarHBondContact O-N 2.87Å; M379-Q382 PolarHBondContact O-N 3.26Å; E380-Q382 VanDerWaalsContact C-N 3.3Å; E380-Q382 PolarHBondContact O-N 2.84Å; Q382-T385 PolarHBondContact O-OG1 3.46Å; Q382-S386 WeakPolarHBondContact O-CB 3.37Å; Q382-S386 PolarHBondContact O-N 3.41Å; Q382-S386 PolarHBondContact O-OG 3.25Å |
| 383 | M | 53.9 | Low | 54.1 | Low | 139 Ų | 139 | 96.9 Ų | 96.9 | 69% | 0.685 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.5 | -46.6 | 170.7 | -75.9 | -167.6 | 169.7 | 0 | 0 | 111.5 | M379 E380 T385 S386 I387 | M379-M383 PolarHBondContact O-N 2.75Å; E380-M383 PolarHBondContact O-N 2.76Å; M383-T385 PolarHBondContact O-N 2.85Å; M383-S386 PolarHBondContact O-N 2.93Å; M383-I387 PolarHBondContact O-N 2.97Å |
| 384 | K | 50.8 | Low | 51.9 | Low | 93 Ų | 93 | 104.1 Ų | 104.1 | 40% | 0.404 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.9 | -42 | 179.7 | -69.5 | 166.8 | -165.4 | 175.9 | 0 | 112 | E380 D381 S386 T388 D407 | E380-K384 VanDerWaalsContact O-CG 3.27Å; E380-K384 WeakPolarHBondContact O-CG 3.42Å; E380-K384 PolarHBondContact O-N 3.48Å; D381-K384 PolarHBondContact O-N 3.01Å; K384-S386 VanDerWaalsContact C-N 3.31Å; K384-S386 PolarHBondContact O-N 3.12Å; K384-T388 PolarHBondContact O-OG1 3.24Å; K384-D407 IonicContact NZ-OD1 3.66Å; K384-D407 PolarHBondContact NZ-OD1 2.94Å; K384-D407 IonicContact NZ-OD2 3.17Å; K384-D407 PolarHBondContact NZ-OD2 3.26Å |
| 385 | T | 43.8 | Very low | 49.6 | Very low | 73 Ų | 73 | 104.6 Ų | 104.6 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.7 | -8.6 | 175.2 | 51.4 | 0 | 0 | 0 | 0 | 115 | D381 Q382 M383 | D381-T385 WeakPolarHBondContact O-CB 3.44Å; D381-T385 PolarHBondContact O-N 2.86Å; D381-T385 PolarHBondContact O-OG1 2.78Å; Q382-T385 PolarHBondContact O-OG1 3.46Å; M383-T385 PolarHBondContact O-N 2.85Å |
| 386 | S | 44.3 | Very low | 47.2 | Very low | 91 Ų | 91 | 107.6 Ų | 107.6 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -91.4 | -17.6 | 177 | -65.2 | 0 | 0 | 0 | 0 | 114.2 | Q382 M383 K384 | Q382-S386 WeakPolarHBondContact O-CB 3.37Å; Q382-S386 PolarHBondContact O-N 3.41Å; Q382-S386 PolarHBondContact O-OG 3.25Å; M383-S386 PolarHBondContact O-N 2.93Å; K384-S386 VanDerWaalsContact C-N 3.31Å; K384-S386 PolarHBondContact O-N 3.12Å |
| 387 | I | 45.7 | Very low | 45 | Very low | 143 Ų | 143 | 114.5 Ų | 114.5 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87 | -22.2 | -174.4 | -68.8 | 168.4 | 0 | 0 | 0 | 111.9 | M383 I389 | M383-I387 PolarHBondContact O-N 2.97Å; I387-I389 VanDerWaalsContact C-N 3.34Å; I387-I389 PolarHBondContact O-N 2.93Å |
| 388 | T | 36.9 | Very low | 43 | Very low | 117 Ų | 117 | 122 Ų | 122 | 72% | 0.718 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -85.4 | 8.5 | -166.1 | -36.9 | 0 | 0 | 0 | 0 | 115 | K384 | K384-T388 PolarHBondContact O-OG1 3.24Š|
| 389 | I | 34.1 | Very low | 40.9 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -125.5 | 75.1 | -178.3 | -48.6 | -179.5 | 0 | 0 | 0 | 111 | I387 | I387-I389 VanDerWaalsContact C-N 3.34Å; I387-I389 PolarHBondContact O-N 2.93Å |
| 390 | G | 29.5 | Very low | 38.8 | Very low | 62 Ų | 62 | 118.1 Ų | 118.1 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 173.3 | 87.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 391 | T | 30.5 | Very low | 37.3 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | 52.1 | 110.8 | 149.5 | 51.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 392 | S | 29.1 | Very low | 36.1 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | trans | 76.8 | 139.7 | 142.3 | 70.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 393 | P | 29.4 | Very low | 35 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | trans | -115 | 116.7 | -167.2 | 35.9 | -20 | 0 | 0 | 0 | 113.9 | ||||
| 394 | I | 30.4 | Very low | 34.3 | Very low | 159 Ų | 159 | 123 Ų | 123 | 82% | 0.815 | 69% | 0.694 | S | S | * | * | trans | -136.2 | 127.1 | 170.6 | -62.2 | -177.2 | 0 | 0 | 0 | 110.6 | ||||
| 395 | S | 28.3 | Very low | 33.7 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | trans | -9 | 118.8 | 173.4 | 57.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 396 | N | 26.9 | Very low | 33.6 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | -176.1 | 123.2 | 121.1 | -92.5 | -23.7 | 0 | 0 | 0 | 111.2 | |||||
| 397 | Q | 30.3 | Very low | 33.8 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | -105 | 81.5 | 177.3 | -73.7 | -180 | -25.1 | 0 | 0 | 110.9 | ||||
| 398 | H | 32.3 | Very low | 34.5 | Very low | 194 Ų | 194 | 126.6 Ų | 126.6 | 90% | 0.898 | 69% | 0.69 | S | S | * | * | trans | -156.3 | 66 | 174.8 | -104.3 | -42.1 | 0 | 0 | 0 | 111.3 | ||||
| 399 | S | 29.8 | Very low | 35.6 | Very low | 83 Ų | 83 | 125 Ų | 125 | 58% | 0.58 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -163.4 | -17.7 | 177.7 | 50.9 | 0 | 0 | 0 | 0 | 116.5 | ||
| 400 | T | 28.6 | Very low | 37.1 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 64% | 0.644 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -25.7 | -164 | 17.5 | 0 | 0 | 0 | 0 | 116.4 | T402 | T400-T402 VanDerWaalsContact C-N 3.27Å; T400-T402 PolarHBondContact O-N 3.44Å |
| 401 | E | 32.3 | Very low | 39 | Very low | 165 Ų | 165 | 120.6 Ų | 120.6 | 77% | 0.771 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -10.5 | -173.9 | -66 | -176.9 | 147.9 | 0 | 0 | 114.6 | ||
| 402 | T | 33.2 | Very low | 40.8 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 58% | 0.583 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -31.5 | -177.7 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | T400 | T400-T402 VanDerWaalsContact C-N 3.27Å; T400-T402 PolarHBondContact O-N 3.44Å |
| 403 | F | 35.3 | Very low | 42.7 | Very low | 150 Ų | 150 | 116.5 Ų | 116.5 | 66% | 0.658 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -24.2 | -176.5 | -80.3 | -82.7 | 0 | 0 | 0 | 114.2 | ||
| 404 | I | 39 | Very low | 44.9 | Very low | 110 Ų | 110 | 111.4 Ų | 111.4 | 56% | 0.564 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.1 | -32.3 | -176.2 | -61.8 | 169.6 | 0 | 0 | 0 | 111.5 | ||
| 405 | Y | 37.6 | Very low | 46.9 | Very low | 170 Ų | 170 | 109.7 Ų | 109.7 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.1 | -23.1 | -178.4 | -84.1 | -84.4 | 0 | 0 | 0 | 114.2 | T409 | Y405-T409 WeakPolarHBondContact O-CG2 3.3Å |
| 406 | E | 42.7 | Very low | 48.6 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.8 | -45.2 | 178.5 | -66 | -173.7 | 140.6 | 0 | 0 | 110.8 | E408 T409 T410 | E406-E408 VanDerWaalsContact C-N 3.28Å; E406-E408 PolarHBondContact O-N 3.37Å; E406-T409 PolarHBondContact O-N 3.29Å; E406-T409 PolarHBondContact O-OG1 3.5Å; E406-T410 PolarHBondContact O-N 3.27Å |
| 407 | D | 48.1 | Very low | 50.4 | Low | 58 Ų | 58 | 102.3 Ų | 102.3 | 31% | 0.31 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -50.4 | -43.7 | 173 | -89.9 | -14.9 | 0 | 0 | 0 | 112.8 | K384 T410 L411 | K384-D407 IonicContact NZ-OD1 3.66Å; K384-D407 PolarHBondContact NZ-OD1 2.94Å; K384-D407 IonicContact NZ-OD2 3.17Å; K384-D407 PolarHBondContact NZ-OD2 3.26Å; D407-T410 PolarHBondContact O-OG1 2.78Å; D407-T410 VanDerWaalsContact O-OG1 3.1Å; D407-L411 WeakPolarHBondContact O-CB 3.46Å; D407-L411 PolarHBondContact O-N 3.21Å |
| 408 | E | 59.6 | Low | 52.4 | Low | 122 Ų | 122 | 97.1 Ų | 97.1 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.5 | -39.6 | -175.1 | -155.4 | 163.9 | -141.6 | 0 | 0 | 111.4 | E406 L411 E412 | E406-E408 VanDerWaalsContact C-N 3.28Å; E406-E408 PolarHBondContact O-N 3.37Å; E408-L411 PolarHBondContact O-N 3.23Å; E408-E412 PolarHBondContact O-N 3.12Å |
| 409 | T | 61.8 | Low | 54.3 | Low | 84 Ų | 84 | 94.2 Ų | 94.2 | 52% | 0.515 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.3 | -35.8 | 179.5 | 62 | 0 | 0 | 0 | 0 | 113.9 | Y405 E406 L411 A413 | Y405-T409 WeakPolarHBondContact O-CG2 3.3Å; E406-T409 PolarHBondContact O-N 3.29Å; E406-T409 PolarHBondContact O-OG1 3.5Å; T409-L411 VanDerWaalsContact C-N 3.34Å; T409-A413 WeakPolarHBondContact O-CB 3.12Å; T409-A413 PolarHBondContact O-N 3.37Å; T409-A413 VanDerWaalsContact O-N 3.09Å |
| 410 | T | 63.5 | Low | 55.8 | Low | 25 Ų | 25 | 94 Ų | 94 | 15% | 0.153 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.9 | -34.6 | 175.8 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | E406 D407 L414 | E406-T410 PolarHBondContact O-N 3.27Å; D407-T410 PolarHBondContact O-OG1 2.78Å; D407-T410 VanDerWaalsContact O-OG1 3.1Å; T410-L414 PolarHBondContact O-N 3.25Å; T410-L414 VanDerWaalsContact O-N 3.15Å |
| 411 | L | 70.3 | Confident | 57.5 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 41% | 0.408 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 176.8 | -156.8 | 79.9 | 0 | 0 | 0 | 112.6 | L377 D407 E408 T409 L414 K415 | L377-L411 HydrophobicContact CD1-CD1 4.37Å; D407-L411 WeakPolarHBondContact O-CB 3.46Å; D407-L411 PolarHBondContact O-N 3.21Å; E408-L411 PolarHBondContact O-N 3.23Å; T409-L411 VanDerWaalsContact C-N 3.34Å; L411-L414 PolarHBondContact O-N 3.11Å; L411-K415 WeakPolarHBondContact O-CG 3.32Å; L411-K415 PolarHBondContact O-N 2.75Å; L411-K415 VanDerWaalsContact O-N 3.13Å |
| 412 | E | 68.8 | Low | 59.1 | Low | 123 Ų | 123 | 85.3 Ų | 85.3 | 58% | 0.575 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66 | -44.7 | 173.4 | -72.1 | -160.5 | 139.7 | 0 | 0 | 112.1 | E408 L414 K415 T416 | E408-E412 PolarHBondContact O-N 3.12Å; E412-L414 PolarHBondContact O-N 3.43Å; E412-K415 PolarHBondContact O-N 3.2Å; E412-K415 VanDerWaalsContact O-N 3.15Å; E412-T416 PolarHBondContact O-N 3Å; E412-T416 PolarHBondContact O-OG1 2.87Å; E412-T416 VanDerWaalsContact O-OG1 3.11Å |
| 413 | A | 69.4 | Low | 60.5 | Low | 37 Ų | 37 | 86.1 Ų | 86.1 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.2 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L373 T409 T416 S417 | L373-A413 HydrophobicContact CD1-CB 4.09Å; T409-A413 WeakPolarHBondContact O-CB 3.12Å; T409-A413 PolarHBondContact O-N 3.37Å; T409-A413 VanDerWaalsContact O-N 3.09Å; A413-T416 WeakPolarHBondContact CA-OG1 3.24Å; A413-T416 PolarHBondContact O-OG1 3.32Å; A413-S417 WeakPolarHBondContact O-CB 3.01Å; A413-S417 PolarHBondContact O-N 3.27Å; A413-S417 PolarHBondContact O-OG 2.73Å |
| 414 | L | 74.8 | Confident | 61.3 | Low | 18 Ų | 18 | 80.8 Ų | 80.8 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.7 | -50.3 | 174.4 | -174.7 | 160.4 | 0 | 0 | 0 | 111 | L373 K374 L377 T410 L411 E412 T416 S417 E418 | L373-L414 HydrophobicContact CB-CB 4.41Å; L373-L414 HydrophobicContact CB-CD1 4.39Å; L373-L414 HydrophobicContact CD1-CB 4.2Å; K374-L414 HydrophobicContact CG-CD1 3.69Å; L377-L414 HydrophobicContact CD1-CD1 3.54Å; T410-L414 PolarHBondContact O-N 3.25Å; T410-L414 VanDerWaalsContact O-N 3.15Å; L411-L414 PolarHBondContact O-N 3.11Å; E412-L414 PolarHBondContact O-N 3.43Å; L414-T416 VanDerWaalsContact C-N 3.35Å; L414-T416 PolarHBondContact O-N 3.42Å; L414-S417 PolarHBondContact O-N 2.76Å; L414-E418 HydrophobicContact CD2-CG 4.05Å; L414-E418 WeakPolarHBondContact CD2-OE2 3.49Å; L414-E418 PolarHBondContact O-N 2.68Å |
| 415 | K | 71.9 | Confident | 61.9 | Low | 122 Ų | 122 | 78.1 Ų | 78.1 | 53% | 0.53 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 179.7 | -72 | 168.7 | -175.3 | 168.4 | 0 | 112.4 | L411 E412 K419 | L411-K415 WeakPolarHBondContact O-CG 3.32Å; L411-K415 PolarHBondContact O-N 2.75Å; L411-K415 VanDerWaalsContact O-N 3.13Å; E412-K415 PolarHBondContact O-N 3.2Å; E412-K415 VanDerWaalsContact O-N 3.15Å; K415-K419 PolarHBondContact O-N 3.43Å; K415-K419 VanDerWaalsContact O-N 3.12Å |
| 416 | T | 64.8 | Low | 62.7 | Low | 83 Ų | 83 | 73.7 Ų | 73.7 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 177.2 | 49.9 | 0 | 0 | 0 | 0 | 112 | E412 A413 L414 K419 L420 | E412-T416 PolarHBondContact O-N 3Å; E412-T416 PolarHBondContact O-OG1 2.87Å; E412-T416 VanDerWaalsContact O-OG1 3.11Å; A413-T416 WeakPolarHBondContact CA-OG1 3.24Å; A413-T416 PolarHBondContact O-OG1 3.32Å; L414-T416 VanDerWaalsContact C-N 3.35Å; L414-T416 PolarHBondContact O-N 3.42Å; T416-K419 PolarHBondContact O-N 3.36Å; T416-L420 WeakPolarHBondContact O-CG 3.48Å; T416-L420 PolarHBondContact O-N 2.82Å |
| 417 | S | 65.1 | Low | 62.9 | Low | 13 Ų | 13 | 70.7 Ų | 70.7 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67 | -42.8 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | V370 A413 L414 K419 L420 I421 | V370-S417 VanDerWaalsContact CG2-CB 3.48Å; A413-S417 WeakPolarHBondContact O-CB 3.01Å; A413-S417 PolarHBondContact O-N 3.27Å; A413-S417 PolarHBondContact O-OG 2.73Å; L414-S417 PolarHBondContact O-N 2.76Å; S417-K419 PolarHBondContact O-N 2.92Å; S417-L420 PolarHBondContact O-N 3.49Å; S417-I421 WeakPolarHBondContact O-CD1 3.14Å; S417-I421 VanDerWaalsContact O-CG1 3.26Å; S417-I421 WeakPolarHBondContact O-CG1 3.21Å; S417-I421 PolarHBondContact O-N 2.89Å; S417-I421 VanDerWaalsContact O-N 3.1Å |
| 418 | E | 71.2 | Confident | 62.5 | Low | 80 Ų | 80 | 71.4 Ų | 71.4 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 176.4 | -71 | -166.5 | 141.4 | 0 | 0 | 112.9 | V370 K374 L414 I421 A422 | V370-E418 HydrophobicContact CG1-CG 4.14Å; V370-E418 HydrophobicContact CG2-CG 3.97Å; K374-E418 VanDerWaalsContact CE-OE1 3.28Å; K374-E418 WeakPolarHBondContact CE-OE1 3.12Å; K374-E418 IonicContact NZ-OE1 3.24Å; K374-E418 PolarHBondContact NZ-OE1 2.7Å; L414-E418 HydrophobicContact CD2-CG 4.05Å; L414-E418 WeakPolarHBondContact CD2-OE2 3.49Å; L414-E418 PolarHBondContact O-N 2.68Å; E418-I421 PolarHBondContact O-N 3.16Å; E418-A422 PolarHBondContact O-N 3.38Å; E418-A422 VanDerWaalsContact O-N 3.14Å |
| 419 | K | 72.4 | Confident | 61.8 | Low | 133 Ų | 133 | 70.3 Ų | 70.3 | 58% | 0.578 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.7 | -48.6 | 174.5 | -173 | -172.9 | 172.2 | -159 | 0 | 111.8 | K415 T416 S417 I421 A422 E423 | K415-K419 PolarHBondContact O-N 3.43Å; K415-K419 VanDerWaalsContact O-N 3.12Å; T416-K419 PolarHBondContact O-N 3.36Å; S417-K419 PolarHBondContact O-N 2.92Å; K419-I421 VanDerWaalsContact C-N 3.31Å; K419-I421 PolarHBondContact O-N 2.8Å; K419-A422 WeakPolarHBondContact O-CB 3.42Å; K419-A422 PolarHBondContact O-N 3.44Å; K419-A422 VanDerWaalsContact O-N 3.09Å; K419-E423 WeakPolarHBondContact CE-OE1 3.32Å; K419-E423 IonicContact NZ-OE1 2.69Å; K419-E423 PolarHBondContact O-N 3.15Å; K419-E423 VanDerWaalsContact O-N 3.16Å |
| 420 | L | 60.5 | Low | 61.4 | Low | 77 Ų | 77 | 68.8 Ų | 68.8 | 40% | 0.403 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 178.4 | -72.5 | 166.1 | 0 | 0 | 0 | 111.7 | L366 T416 S417 A422 E423 L424 | L366-L420 HydrophobicContact CD1-CB 3.67Å; L366-L420 HydrophobicContact CD1-CD1 4.46Å; L366-L420 HydrophobicContact CD2-CD1 4.18Å; T416-L420 WeakPolarHBondContact O-CG 3.48Å; T416-L420 PolarHBondContact O-N 2.82Å; S417-L420 PolarHBondContact O-N 3.49Å; L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.25Å; L420-E423 PolarHBondContact O-N 3.41Å; L420-L424 WeakPolarHBondContact O-CB 3.48Å; L420-L424 WeakPolarHBondContact O-CD1 3.3Å; L420-L424 WeakPolarHBondContact O-CG 3.47Å; L420-L424 PolarHBondContact O-N 3.14Å |
| 421 | I | 64.9 | Low | 60.6 | Low | 19 Ų | 19 | 71.8 Ų | 71.8 | 10% | 0.097 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.4 | -38.3 | 175 | -69.4 | 165.1 | 0 | 0 | 0 | 111.5 | L366 K367 V370 S417 E418 K419 N425 | L366-I421 HydrophobicContact CB-CD1 3.87Å; L366-I421 HydrophobicContact CB-CG1 3.56Å; L366-I421 HydrophobicContact CD1-CG1 4.23Å; K367-I421 HydrophobicContact CG-CD1 3.85Å; K367-I421 HydrophobicContact CG-CG1 4.25Å; K367-I421 HydrophobicContact CG-CG2 4.28Å; V370-I421 HydrophobicContact CB-CD1 4.29Å; V370-I421 HydrophobicContact CG2-CD1 3.65Å; S417-I421 WeakPolarHBondContact O-CD1 3.14Å; S417-I421 VanDerWaalsContact O-CG1 3.26Å; S417-I421 WeakPolarHBondContact O-CG1 3.21Å; S417-I421 PolarHBondContact O-N 2.89Å; S417-I421 VanDerWaalsContact O-N 3.1Å; E418-I421 PolarHBondContact O-N 3.16Å; K419-I421 VanDerWaalsContact C-N 3.31Å; K419-I421 PolarHBondContact O-N 2.8Å; I421-N425 WeakPolarHBondContact CG2-ND2 3.41Å; I421-N425 VanDerWaalsContact O-CB 3.27Å; I421-N425 WeakPolarHBondContact O-CB 3.38Å; I421-N425 PolarHBondContact O-N 2.74Å; I421-N425 PolarHBondContact O-ND2 2.67Å |
| 422 | A | 67.1 | Low | 59.5 | Low | 70 Ų | 70 | 72.3 Ų | 72.3 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.1 | -42.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E418 K419 L420 | E418-A422 PolarHBondContact O-N 3.38Å; E418-A422 VanDerWaalsContact O-N 3.14Å; K419-A422 WeakPolarHBondContact O-CB 3.42Å; K419-A422 PolarHBondContact O-N 3.44Å; K419-A422 VanDerWaalsContact O-N 3.09Å; L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.25Å |
| 423 | E | 61.4 | Low | 59 | Low | 112 Ų | 112 | 73 Ų | 73 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 177.8 | -68 | 176.7 | 177.8 | 0 | 0 | 112 | K419 L420 | K419-E423 WeakPolarHBondContact CE-OE1 3.32Å; K419-E423 IonicContact NZ-OE1 2.69Å; K419-E423 PolarHBondContact O-N 3.15Å; K419-E423 VanDerWaalsContact O-N 3.16Å; L420-E423 PolarHBondContact O-N 3.41Å |
| 424 | L | 52.7 | Low | 58.4 | Low | 38 Ų | 38 | 77.2 Ų | 77.2 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -79.9 | -33.5 | -177.9 | -64.2 | 166.6 | 0 | 0 | 0 | 113.3 | T359 L362 I363 L366 L420 E426 | T359-L424 HydrophobicContact CG2-CD2 3.67Å; L362-L424 HydrophobicContact CD2-CD1 3.75Å; L362-L424 HydrophobicContact CD2-CD2 4.49Å; L362-L424 HydrophobicContact CG-CD1 3.9Å; I363-L424 HydrophobicContact CD1-CB 3.76Å; I363-L424 HydrophobicContact CG1-CB 3.42Å; I363-L424 VanDerWaalsContact CG1-CB 3.42Å; I363-L424 HydrophobicContact CG1-CD1 3.98Å; I363-L424 HydrophobicContact CG1-CG 4.3Å; L366-L424 HydrophobicContact CD1-CD1 3.76Å; L420-L424 WeakPolarHBondContact O-CB 3.48Å; L420-L424 WeakPolarHBondContact O-CD1 3.3Å; L420-L424 WeakPolarHBondContact O-CG 3.47Å; L420-L424 PolarHBondContact O-N 3.14Å; L424-E426 PolarHBondContact O-N 3.47Å |
| 425 | N | 50.3 | Low | 57 | Low | 53 Ų | 53 | 79.1 Ų | 79.1 | 28% | 0.283 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -0.6 | 179.2 | -77.9 | -38.3 | 0 | 0 | 0 | 114.8 | T235 K367 I421 T427 | T235-N425 WeakPolarHBondContact CG2-OD1 3.5Å; K367-N425 PolarHBondContact NZ-ND2 2.85Å; K367-N425 PolarHBondContact NZ-OD1 3.27Å; I421-N425 WeakPolarHBondContact CG2-ND2 3.41Å; I421-N425 VanDerWaalsContact O-CB 3.27Å; I421-N425 WeakPolarHBondContact O-CB 3.38Å; I421-N425 PolarHBondContact O-N 2.74Å; I421-N425 PolarHBondContact O-ND2 2.67Å; N425-T427 PolarHBondContact O-N 3.37Å |
| 426 | E | 55.5 | Low | 56.1 | Low | 78 Ų | 78 | 79.2 Ų | 79.2 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -59.7 | 107.2 | 172.2 | -175.8 | -177.6 | -119.9 | 0 | 0 | 109.1 | L424 K431 K434 | L424-E426 PolarHBondContact O-N 3.47Å; E426-K431 HydrophobicContact CG-CG 4.2Å; E426-K431 WeakPolarHBondContact O-CD 3.29Å; E426-K431 WeakPolarHBondContact O-CE 3.47Å; E426-K431 PolarHBondContact O-NZ 2.9Å; E426-K431 WeakPolarHBondContact OE2-CE 3.37Å; E426-K434 IonicContact OE1-NZ 3.71Å; E426-K434 PolarHBondContact OE1-NZ 3.17Å; E426-K434 IonicContact OE2-NZ 2.67Å |
| 427 | T | 47.2 | Very low | 56.1 | Low | 61 Ų | 61 | 81.9 Ų | 81.9 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | trans | -62.6 | 149.5 | -160.9 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | N425 E429 T430 K431 | N425-T427 PolarHBondContact O-N 3.37Å; T427-E429 PolarHBondContact O-N 3.37Å; T427-E429 VanDerWaalsContact O-N 3.15Å; T427-T430 PolarHBondContact N-OG1 3.18Å; T427-T430 VanDerWaalsContact N-OG1 3.14Å; T427-T430 PolarHBondContact O-N 3.01Å; T427-T430 PolarHBondContact O-OG1 2.9Å; T427-T430 WeakPolarHBondContact OG1-CB 3.25Å; T427-T430 WeakPolarHBondContact OG1-CG2 3.47Å; T427-T430 PolarHBondContact OG1-N 3.15Å; T427-T430 VanDerWaalsContact OG1-N 3.08Å; T427-T430 PolarHBondContact OG1-OG1 2.96Å; T427-K431 PolarHBondContact O-N 2.59Å | ||
| 428 | M | 39.3 | Very low | 55.5 | Low | 73 Ų | 73 | 85.1 Ų | 85.1 | 36% | 0.36 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -54.2 | -34.6 | 170.7 | -170.7 | -167.5 | 70.8 | 0 | 0 | 111.3 | K227 L432 | K227-M428 HydrophobicContact CD-CE 4.05Å; K227-M428 HydrophobicContact CD-SD 4.31Å; K227-M428 PolarHBondContact NZ-SD 3.31Å; M428-L432 HydrophobicContact CE-CD1 3.88Å; M428-L432 HydrophobicContact CG-CD1 4Å; M428-L432 HydrophobicContact CG-CG 4.39Å; M428-L432 WeakPolarHBondContact O-CB 3.28Å; M428-L432 VanDerWaalsContact O-CG 3.24Å; M428-L432 WeakPolarHBondContact O-CG 2.9Å; M428-L432 PolarHBondContact O-N 2.85Å; M428-L432 HydrophobicContact SD-CD1 4.37Å |
| 429 | E | 44.4 | Very low | 54.5 | Low | 99 Ų | 99 | 86.8 Ų | 86.8 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 175.2 | -162.1 | -161.6 | 178.7 | 0 | 0 | 113.2 | T427 R433 | T427-E429 PolarHBondContact O-N 3.37Å; T427-E429 VanDerWaalsContact O-N 3.15Å; E429-R433 WeakPolarHBondContact O-CB 3.02Å; E429-R433 WeakPolarHBondContact O-CG 3.43Å; E429-R433 PolarHBondContact O-N 3.38Å; E429-R433 IonicContact OE1-CZ 3.6Å; E429-R433 IonicContact OE1-NH1 2.77Å; E429-R433 PolarHBondContact OE1-NH1 3.22Å; E429-R433 IonicContact OE1-NH2 3.18Å; E429-R433 PolarHBondContact OE1-NH2 3.46Å; E429-R433 IonicContact OE2-NH1 3.53Å |
| 430 | T | 53.6 | Low | 54 | Low | 53 Ų | 53 | 86 Ų | 86 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -78.7 | -33.2 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | T427 K434 | T427-T430 PolarHBondContact N-OG1 3.18Å; T427-T430 VanDerWaalsContact N-OG1 3.14Å; T427-T430 PolarHBondContact O-N 3.01Å; T427-T430 PolarHBondContact O-OG1 2.9Å; T427-T430 WeakPolarHBondContact OG1-CB 3.25Å; T427-T430 WeakPolarHBondContact OG1-CG2 3.47Å; T427-T430 PolarHBondContact OG1-N 3.15Å; T427-T430 VanDerWaalsContact OG1-N 3.08Å; T427-T430 PolarHBondContact OG1-OG1 2.96Å; T430-K434 WeakPolarHBondContact O-CB 2.95Å; T430-K434 VanDerWaalsContact O-CG 3.27Å; T430-K434 WeakPolarHBondContact O-CG 3.44Å; T430-K434 PolarHBondContact O-N 2.83Å |
| 431 | K | 46.5 | Very low | 54.1 | Low | 87 Ų | 87 | 87.6 Ų | 87.6 | 38% | 0.378 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 169.8 | -73.8 | 167.2 | 176.7 | 151.1 | 0 | 111.5 | E426 T427 K434 A435 | E426-K431 HydrophobicContact CG-CG 4.2Å; E426-K431 WeakPolarHBondContact O-CD 3.29Å; E426-K431 WeakPolarHBondContact O-CE 3.47Å; E426-K431 PolarHBondContact O-NZ 2.9Å; E426-K431 WeakPolarHBondContact OE2-CE 3.37Å; T427-K431 PolarHBondContact O-N 2.59Å; K431-K434 PolarHBondContact O-N 3.19Å; K431-A435 WeakPolarHBondContact O-CB 3.48Å; K431-A435 PolarHBondContact O-N 3.49Å |
| 432 | L | 47.9 | Very low | 53.3 | Low | 90 Ų | 90 | 93.5 Ų | 93.5 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -55.1 | 169.9 | -78.6 | 167 | 0 | 0 | 0 | 110.6 | M428 K434 A435 E436 | M428-L432 HydrophobicContact CE-CD1 3.88Å; M428-L432 HydrophobicContact CG-CD1 4Å; M428-L432 HydrophobicContact CG-CG 4.39Å; M428-L432 WeakPolarHBondContact O-CB 3.28Å; M428-L432 VanDerWaalsContact O-CG 3.24Å; M428-L432 WeakPolarHBondContact O-CG 2.9Å; M428-L432 PolarHBondContact O-N 2.85Å; M428-L432 HydrophobicContact SD-CD1 4.37Å; L432-K434 PolarHBondContact O-N 3.34Å; L432-K434 VanDerWaalsContact O-N 3.11Å; L432-A435 CarbonylContact O-C 3.58Å; L432-A435 WeakPolarHBondContact O-CA 3.48Å; L432-A435 PolarHBondContact O-N 2.77Å; L432-E436 WeakPolarHBondContact O-CB 3.46Å; L432-E436 PolarHBondContact O-N 3.44Å |
| 433 | R | 58.9 | Low | 52.5 | Low | 136 Ų | 136 | 93.1 Ų | 93.1 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -55.1 | -32.6 | 176.4 | -81.6 | -172.1 | 177.2 | 110.4 | 15.1 | 113.7 | E429 K437 | E429-R433 WeakPolarHBondContact O-CB 3.02Å; E429-R433 WeakPolarHBondContact O-CG 3.43Å; E429-R433 PolarHBondContact O-N 3.38Å; E429-R433 IonicContact OE1-CZ 3.6Å; E429-R433 IonicContact OE1-NH1 2.77Å; E429-R433 PolarHBondContact OE1-NH1 3.22Å; E429-R433 IonicContact OE1-NH2 3.18Å; E429-R433 PolarHBondContact OE1-NH2 3.46Å; E429-R433 IonicContact OE2-NH1 3.53Å; R433-K437 VanDerWaalsContact O-CB 3.28Å; R433-K437 WeakPolarHBondContact O-CB 3.46Å; R433-K437 WeakPolarHBondContact O-CG 3.49Å; R433-K437 PolarHBondContact O-N 3.18Å |
| 434 | K | 55.5 | Low | 52.3 | Low | 126 Ų | 126 | 91.8 Ų | 91.8 | 55% | 0.548 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.9 | -47.6 | 171.8 | -79.8 | 175 | 173.7 | -174.8 | 0 | 111.7 | E426 T430 K431 L432 E436 L438 | E426-K434 IonicContact OE1-NZ 3.71Å; E426-K434 PolarHBondContact OE1-NZ 3.17Å; E426-K434 IonicContact OE2-NZ 2.67Å; T430-K434 WeakPolarHBondContact O-CB 2.95Å; T430-K434 VanDerWaalsContact O-CG 3.27Å; T430-K434 WeakPolarHBondContact O-CG 3.44Å; T430-K434 PolarHBondContact O-N 2.83Å; K431-K434 PolarHBondContact O-N 3.19Å; L432-K434 PolarHBondContact O-N 3.34Å; L432-K434 VanDerWaalsContact O-N 3.11Å; K434-E436 VanDerWaalsContact C-N 3.34Å; K434-L438 VanDerWaalsContact O-CB 3.28Å; K434-L438 WeakPolarHBondContact O-CB 3.21Å; K434-L438 PolarHBondContact O-N 2.82Å |
| 435 | A | 46.1 | Very low | 52.3 | Low | 59 Ų | 59 | 94.7 Ų | 94.7 | 49% | 0.488 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.6 | -32.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K431 L432 L438 R439 | K431-A435 WeakPolarHBondContact O-CB 3.48Å; K431-A435 PolarHBondContact O-N 3.49Å; L432-A435 CarbonylContact O-C 3.58Å; L432-A435 WeakPolarHBondContact O-CA 3.48Å; L432-A435 PolarHBondContact O-N 2.77Å; A435-L438 CarbonylContact O-C 3.54Å; A435-L438 PolarHBondContact O-N 3.5Å; A435-R439 PolarHBondContact O-N 3.26Å |
| 436 | E | 52.8 | Low | 52.3 | Low | 124 Ų | 124 | 94.4 Ų | 94.4 | 58% | 0.579 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -79.9 | -41.4 | -177.2 | -166.4 | 166.4 | -119 | 0 | 0 | 110.7 | L432 K434 L438 R439 E440 | L432-E436 WeakPolarHBondContact O-CB 3.46Å; L432-E436 PolarHBondContact O-N 3.44Å; K434-E436 VanDerWaalsContact C-N 3.34Å; E436-L438 VanDerWaalsContact C-N 3.28Å; E436-L438 PolarHBondContact O-N 2.78Å; E436-R439 WeakPolarHBondContact O-CB 3.49Å; E436-R439 PolarHBondContact O-N 3.11Å; E436-E440 VanDerWaalsContact O-CB 3.32Å; E436-E440 WeakPolarHBondContact O-CB 3.16Å; E436-E440 PolarHBondContact O-N 2.83Å |
| 437 | K | 64.2 | Low | 52 | Low | 139 Ų | 139 | 96.6 Ų | 96.6 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.5 | -36.7 | 163.1 | -82.6 | -168.5 | 166.9 | -168.5 | 0 | 112.5 | R433 R439 E440 Q441 | R433-K437 VanDerWaalsContact O-CB 3.28Å; R433-K437 WeakPolarHBondContact O-CB 3.46Å; R433-K437 WeakPolarHBondContact O-CG 3.49Å; R433-K437 PolarHBondContact O-N 3.18Å; K437-R439 VanDerWaalsContact C-N 3.33Å; K437-E440 PolarHBondContact O-N 2.64Å; K437-Q441 WeakPolarHBondContact O-CB 3.48Å; K437-Q441 WeakPolarHBondContact O-CG 2.92Å; K437-Q441 PolarHBondContact O-N 2.91Å |
| 438 | L | 52.5 | Low | 52.3 | Low | 80 Ų | 80 | 102.2 Ų | 102.2 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.6 | -30 | 176.2 | -169.8 | 67.1 | 0 | 0 | 0 | 112 | K434 A435 E436 R442 | K434-L438 VanDerWaalsContact O-CB 3.28Å; K434-L438 WeakPolarHBondContact O-CB 3.21Å; K434-L438 PolarHBondContact O-N 2.82Å; A435-L438 CarbonylContact O-C 3.54Å; A435-L438 PolarHBondContact O-N 3.5Å; E436-L438 VanDerWaalsContact C-N 3.28Å; E436-L438 PolarHBondContact O-N 2.78Å; L438-R442 WeakPolarHBondContact O-CB 3.5Å; L438-R442 WeakPolarHBondContact O-CD 3.45Å; L438-R442 WeakPolarHBondContact O-CG 3.39Å; L438-R442 PolarHBondContact O-N 2.91Å |
| 439 | R | 51.7 | Low | 52.6 | Low | 115 Ų | 115 | 105.5 Ų | 105.5 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.9 | -50.4 | 168.9 | -179.4 | -179.5 | 174.7 | 164.9 | 5 | 110.5 | A435 E436 K437 Q441 R442 E443 D455 | A435-R439 PolarHBondContact O-N 3.26Å; E436-R439 WeakPolarHBondContact O-CB 3.49Å; E436-R439 PolarHBondContact O-N 3.11Å; K437-R439 VanDerWaalsContact C-N 3.33Å; R439-Q441 PolarHBondContact O-N 2.96Å; R439-R442 CarbonylContact O-C 3.54Å; R439-R442 PolarHBondContact O-N 2.6Å; R439-R442 VanDerWaalsContact O-N 3.12Å; R439-E443 HydrophobicContact CG-CG 4.37Å; R439-E443 IonicContact CZ-OE1 3.48Å; R439-E443 VanDerWaalsContact CZ-OE1 3.24Å; R439-E443 IonicContact NE-OE1 3.17Å; R439-E443 PolarHBondContact NE-OE1 2.85Å; R439-E443 IonicContact NE-OE2 2.73Å; R439-E443 IonicContact NH2-OE1 2.84Å; R439-E443 PolarHBondContact NH2-OE1 2.93Å; R439-E443 WeakPolarHBondContact O-CB 3.44Å; R439-E443 PolarHBondContact O-N 2.78Å; R439-D455 IonicContact CZ-OD1 2.66Å; R439-D455 IonicContact NH1-OD1 2.84Å; R439-D455 PolarHBondContact NH1-OD1 3.43Å; R439-D455 IonicContact NH2-OD1 3.43Å; R439-D455 PolarHBondContact NH2-OD1 3.47Å |
| 440 | E | 61.5 | Low | 52.5 | Low | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | -179.9 | -173.8 | 179.3 | -135 | 0 | 0 | 112 | E436 K437 N444 | E436-E440 VanDerWaalsContact O-CB 3.32Å; E436-E440 WeakPolarHBondContact O-CB 3.16Å; E436-E440 PolarHBondContact O-N 2.83Å; K437-E440 PolarHBondContact O-N 2.64Å; E440-N444 WeakPolarHBondContact O-CB 3.38Å; E440-N444 PolarHBondContact O-N 3.11Å; E440-N444 PolarHBondContact O-ND2 3.41Å |
| 441 | Q | 62.5 | Low | 52 | Low | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 170.6 | -77.4 | -171.6 | -88.9 | 0 | 0 | 111.5 | K437 R439 N444 E445 | K437-Q441 WeakPolarHBondContact O-CB 3.48Å; K437-Q441 WeakPolarHBondContact O-CG 2.92Å; K437-Q441 PolarHBondContact O-N 2.91Å; R439-Q441 PolarHBondContact O-N 2.96Å; Q441-N444 PolarHBondContact O-N 3.04Å; Q441-E445 WeakPolarHBondContact O-CB 3.46Å; Q441-E445 VanDerWaalsContact O-CG 3.27Å; Q441-E445 WeakPolarHBondContact O-CG 3.45Å; Q441-E445 PolarHBondContact O-N 2.98Å |
| 442 | R | 47.3 | Very low | 52 | Low | 144 Ų | 144 | 100.3 Ų | 100.3 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 178 | -74.4 | 169.9 | 179.9 | 178.8 | -0.6 | 112.9 | L438 R439 E445 L446 | L438-R442 WeakPolarHBondContact O-CB 3.5Å; L438-R442 WeakPolarHBondContact O-CD 3.45Å; L438-R442 WeakPolarHBondContact O-CG 3.39Å; L438-R442 PolarHBondContact O-N 2.91Å; R439-R442 CarbonylContact O-C 3.54Å; R439-R442 PolarHBondContact O-N 2.6Å; R439-R442 VanDerWaalsContact O-N 3.12Å; R442-E445 PolarHBondContact O-N 2.91Å; R442-L446 VanDerWaalsContact O-CB 3.23Å; R442-L446 WeakPolarHBondContact O-CB 3.48Å; R442-L446 WeakPolarHBondContact O-CD1 3.3Å; R442-L446 WeakPolarHBondContact O-CG 3.4Å; R442-L446 PolarHBondContact O-N 3.42Å |
| 443 | E | 51.2 | Low | 51.7 | Low | 62 Ų | 62 | 99.7 Ų | 99.7 | 29% | 0.29 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.2 | -35.2 | 176.3 | -76.7 | 176.7 | 173.5 | 0 | 0 | 111.2 | R439 M447 | R439-E443 HydrophobicContact CG-CG 4.37Å; R439-E443 IonicContact CZ-OE1 3.48Å; R439-E443 VanDerWaalsContact CZ-OE1 3.24Å; R439-E443 IonicContact NE-OE1 3.17Å; R439-E443 PolarHBondContact NE-OE1 2.85Å; R439-E443 IonicContact NE-OE2 2.73Å; R439-E443 IonicContact NH2-OE1 2.84Å; R439-E443 PolarHBondContact NH2-OE1 2.93Å; R439-E443 WeakPolarHBondContact O-CB 3.44Å; R439-E443 PolarHBondContact O-N 2.78Å; E443-M447 WeakPolarHBondContact O-CB 3.19Å; E443-M447 PolarHBondContact O-N 3.48Å |
| 444 | N | 57 | Low | 50.7 | Low | 84 Ų | 84 | 100.4 Ų | 100.4 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.9 | -44.4 | 170.6 | -76 | -68 | 0 | 0 | 0 | 112.7 | E440 Q441 L446 M447 E448 | E440-N444 WeakPolarHBondContact O-CB 3.38Å; E440-N444 PolarHBondContact O-N 3.11Å; E440-N444 PolarHBondContact O-ND2 3.41Å; Q441-N444 PolarHBondContact O-N 3.04Å; N444-L446 VanDerWaalsContact C-N 3.3Å; N444-L446 PolarHBondContact O-N 2.72Å; N444-M447 PolarHBondContact O-N 3.46Å; N444-M447 VanDerWaalsContact O-N 3.12Å; N444-E448 PolarHBondContact O-N 2.84Å |
| 445 | E | 53.1 | Low | 49.7 | Very low | 99 Ų | 99 | 99.6 Ų | 99.6 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 174.8 | -74.6 | 167.6 | -176.4 | 0 | 0 | 111.3 | Q441 R442 M449 | Q441-E445 WeakPolarHBondContact O-CB 3.46Å; Q441-E445 VanDerWaalsContact O-CG 3.27Å; Q441-E445 WeakPolarHBondContact O-CG 3.45Å; Q441-E445 PolarHBondContact O-N 2.98Å; R442-E445 PolarHBondContact O-N 2.91Å; E445-M449 WeakPolarHBondContact O-CG 3.44Å; E445-M449 PolarHBondContact O-N 2.6Å |
| 446 | L | 50.4 | Low | 49.1 | Very low | 47 Ų | 47 | 101.1 Ų | 101.1 | 25% | 0.246 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -70 | -36.5 | 174.2 | -72.9 | 167.3 | 0 | 0 | 0 | 112.3 | R442 N444 M449 G450 I451 I453 | R442-L446 VanDerWaalsContact O-CB 3.23Å; R442-L446 WeakPolarHBondContact O-CB 3.48Å; R442-L446 WeakPolarHBondContact O-CD1 3.3Å; R442-L446 WeakPolarHBondContact O-CG 3.4Å; R442-L446 PolarHBondContact O-N 3.42Å; N444-L446 VanDerWaalsContact C-N 3.3Å; N444-L446 PolarHBondContact O-N 2.72Å; L446-M449 CarbonylContact O-C 3.6Å; L446-M449 VanDerWaalsContact O-C 3.24Å; L446-M449 WeakPolarHBondContact O-CA 3.45Å; L446-M449 WeakPolarHBondContact O-CB 3.13Å; L446-M449 PolarHBondContact O-N 2.73Å; L446-M449 VanDerWaalsContact O-N 3.09Å; L446-G450 PolarHBondContact O-N 3.38Å; L446-I451 CarbonylContact C-O 3.4Å; L446-I451 HydrophobicContact CB-CB 4.31Å; L446-I451 HydrophobicContact CD2-CB 4.24Å; L446-I451 HydrophobicContact CD2-CD1 4.13Å; L446-I451 HydrophobicContact CD2-CG2 4.34Å; L446-I451 PolarHBondContact O-N 2.87Å; L446-I453 HydrophobicContact CD1-CD1 3.58Å; L446-I453 HydrophobicContact CD1-CG1 4.29Å |
| 447 | M | 48.8 | Very low | 48.1 | Very low | 124 Ų | 124 | 97.4 Ų | 97.4 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.1 | -36.3 | 176.2 | -166.5 | -176.4 | -45.8 | 0 | 0 | 112.2 | E443 N444 M449 G450 | E443-M447 WeakPolarHBondContact O-CB 3.19Å; E443-M447 PolarHBondContact O-N 3.48Å; N444-M447 PolarHBondContact O-N 3.46Å; N444-M447 VanDerWaalsContact O-N 3.12Å; M447-M449 PolarHBondContact O-N 2.88Å; M447-G450 WeakPolarHBondContact O-CA 3.25Å; M447-G450 PolarHBondContact O-N 3.41Å |
| 448 | E | 53.6 | Low | 46.8 | Very low | 179 Ų | 179 | 96.6 Ų | 96.6 | 84% | 0.836 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -29.6 | 168.5 | -72.2 | -170.4 | 150.4 | 0 | 0 | 111.9 | N444 G450 | N444-E448 PolarHBondContact O-N 2.84Å; E448-G450 VanDerWaalsContact C-N 3.31Å |
| 449 | M | 44.4 | Very low | 46.1 | Very low | 141 Ų | 141 | 104.3 Ų | 104.3 | 70% | 0.695 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 3.5 | 169.1 | -61.6 | 177.5 | -156.4 | 0 | 0 | 113.9 | E445 L446 M447 I451 | E445-M449 WeakPolarHBondContact O-CG 3.44Å; E445-M449 PolarHBondContact O-N 2.6Å; L446-M449 CarbonylContact O-C 3.6Å; L446-M449 VanDerWaalsContact O-C 3.24Å; L446-M449 WeakPolarHBondContact O-CA 3.45Å; L446-M449 WeakPolarHBondContact O-CB 3.13Å; L446-M449 PolarHBondContact O-N 2.73Å; L446-M449 VanDerWaalsContact O-N 3.09Å; M447-M449 PolarHBondContact O-N 2.88Å; M449-I451 VanDerWaalsContact C-N 3.32Å; M449-I451 PolarHBondContact O-N 2.92Å |
| 450 | G | 42.6 | Very low | 45.5 | Very low | 24 Ų | 24 | 101.1 Ų | 101.1 | 25% | 0.247 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -1.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | L446 M447 E448 V461 F462 | L446-G450 PolarHBondContact O-N 3.38Å; M447-G450 WeakPolarHBondContact O-CA 3.25Å; M447-G450 PolarHBondContact O-N 3.41Å; E448-G450 VanDerWaalsContact C-N 3.31Å; G450-V461 WeakPolarHBondContact O-CG1 3.02Å; G450-F462 PolarHBondContact O-N 3.27Å |
| 451 | I | 44 | Very low | 44.6 | Very low | 73 Ų | 73 | 97.2 Ų | 97.2 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.1 | -174.6 | -57.6 | 170.8 | 0 | 0 | 0 | 109.7 | L446 M449 | L446-I451 CarbonylContact C-O 3.4Å; L446-I451 HydrophobicContact CB-CB 4.31Å; L446-I451 HydrophobicContact CD2-CB 4.24Å; L446-I451 HydrophobicContact CD2-CD1 4.13Å; L446-I451 HydrophobicContact CD2-CG2 4.34Å; L446-I451 PolarHBondContact O-N 2.87Å; M449-I451 VanDerWaalsContact C-N 3.32Å; M449-I451 PolarHBondContact O-N 2.92Å |
| 452 | A | 45.2 | Very low | 43.5 | Very low | 33 Ų | 33 | 98.7 Ų | 98.7 | 27% | 0.273 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F462 | A452-F462 HydrophobicContact CB-CB 4Å; A452-F462 HydrophobicContact CB-CD2 3.77Å; A452-F462 HydrophobicContact CB-CG 4.37Å |
| 453 | I | 42.6 | Very low | 43.4 | Very low | 78 Ų | 78 | 93.5 Ų | 93.5 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 135.3 | 169.4 | -60.8 | -179.9 | 0 | 0 | 0 | 107.8 | L446 | L446-I453 HydrophobicContact CD1-CD1 3.58Å; L446-I453 HydrophobicContact CD1-CG1 4.29Å |
| 454 | H | 37.1 | Very low | 43.5 | Very low | 151 Ų | 151 | 93.6 Ų | 93.6 | 70% | 0.699 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.5 | 161.4 | -152.2 | -53.7 | 0 | 0 | 0 | 107.9 | G456 | H454-G456 PolarHBondContact O-N 3.47Å |
| 455 | D | 35.2 | Very low | 43.5 | Very low | 108 Ų | 108 | 97.1 Ų | 97.1 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 119.7 | -163.4 | -45.1 | -78.3 | 0 | 0 | 0 | 113.7 | R439 | R439-D455 IonicContact CZ-OD1 2.66Å; R439-D455 IonicContact NH1-OD1 2.84Å; R439-D455 PolarHBondContact NH1-OD1 3.43Å; R439-D455 IonicContact NH2-OD1 3.43Å; R439-D455 PolarHBondContact NH2-OD1 3.47Å |
| 456 | G | 32.6 | Very low | 44.1 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 94% | 0.938 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.3 | -19.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | H454 | H454-G456 PolarHBondContact O-N 3.47Š|
| 457 | G | 32.9 | Very low | 45.2 | Very low | 46 Ų | 46 | 97 Ų | 97 | 47% | 0.474 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | 160.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R459 | G457-R459 PolarHBondContact O-N 3.29Å |
| 458 | V | 36.7 | Very low | 47 | Very low | 123 Ų | 123 | 91.3 Ų | 91.3 | 75% | 0.745 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 106.6 | 176.1 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 459 | R | 37.1 | Very low | 48.6 | Very low | 242 Ų | 242 | 83.1 Ų | 83.1 | 91% | 0.913 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 71.7 | 179.3 | -155.1 | 175.9 | -168.8 | -178.9 | 4.6 | 115 | G457 | G457-R459 PolarHBondContact O-N 3.29Å |
| 460 | G | 38.9 | Very low | 50.7 | Low | 48 Ų | 48 | 76.4 Ų | 76.4 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.8 | 127.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 461 | V | 42.9 | Very low | 52.9 | Low | 34 Ų | 34 | 75.6 Ų | 75.6 | 21% | 0.206 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 138 | 166 | -165.6 | 0 | 0 | 0 | 0 | 108.4 | G450 S463 I484 Y486 | G450-V461 WeakPolarHBondContact O-CG1 3.02Å; V461-S463 VanDerWaalsContact C-N 3.33Å; V461-S463 PolarHBondContact O-N 3.25Å; V461-I484 HydrophobicContact CB-CB 3.93Å; V461-I484 HydrophobicContact CB-CD1 3.99Å; V461-I484 HydrophobicContact CB-CG1 4.14Å; V461-I484 HydrophobicContact CG1-CB 4.2Å; V461-I484 HydrophobicContact CG2-CB 3.83Å; V461-I484 HydrophobicContact CG2-CD1 3.98Å; V461-I484 HydrophobicContact CG2-CG1 3.78Å; V461-Y486 HydrophobicContact CG1-CE2 4.45Å; V461-Y486 WeakPolarHBondContact CG1-OH 3.31Å |
| 462 | F | 40.5 | Very low | 55.1 | Low | 142 Ų | 142 | 72.7 Ų | 72.7 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | trans | -77.9 | 77.9 | -170.2 | -158 | -88.2 | 0 | 0 | 0 | 112.1 | G450 A452 P464 Y486 | G450-F462 PolarHBondContact O-N 3.27Å; A452-F462 HydrophobicContact CB-CB 4Å; A452-F462 HydrophobicContact CB-CD2 3.77Å; A452-F462 HydrophobicContact CB-CG 4.37Å; F462-P464 VanDerWaalsContact O-CD 3.22Å; F462-P464 WeakPolarHBondContact O-CD 3.44Å; F462-Y486 PolarHBondContact O-OH 2.89Å | ||
| 463 | S | 44.4 | Very low | 57.1 | Low | 34 Ų | 34 | 71.6 Ų | 71.6 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | trans | -52.7 | 116.6 | 177.5 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | V461 K465 H469 Y486 | V461-S463 VanDerWaalsContact C-N 3.33Å; V461-S463 PolarHBondContact O-N 3.25Å; S463-K465 PolarHBondContact O-N 2.94Å; S463-H469 PolarHBondContact OG-CE1 2.77Å; S463-H469 VanDerWaalsContact OG-CE1 3.29Å; S463-Y486 WeakPolarHBondContact CA-OH 3.49Å; S463-Y486 PolarHBondContact N-OH 2.55Å | ||
| 464 | P | 52.8 | Low | 59.2 | Low | 65 Ų | 65 | 70.8 Ų | 70.8 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | trans | -56 | 134.9 | 166.5 | -15.9 | 28.5 | 0 | 0 | 0 | 107 | F462 N466 T467 | F462-P464 VanDerWaalsContact O-CD 3.22Å; F462-P464 WeakPolarHBondContact O-CD 3.44Å; P464-N466 PolarHBondContact O-N 2.74Å; P464-T467 WeakPolarHBondContact CB-OG1 3.46Å; P464-T467 WeakPolarHBondContact CD-OG1 3.49Å; P464-T467 WeakPolarHBondContact CG-OG1 3.17Å; P464-T467 PolarHBondContact O-N 2.92Å; P464-T467 PolarHBondContact O-OG1 3.04Å | ||
| 465 | K | 56.7 | Low | 61.3 | Low | 157 Ų | 157 | 69.9 Ų | 69.9 | 68% | 0.683 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -6.1 | -155 | -74.1 | 179.3 | 179 | 173.4 | 0 | 115.7 | S463 P568 R572 | S463-K465 PolarHBondContact O-N 2.94Å; K465-P568 WeakPolarHBondContact O-CB 3.22Å; K465-R572 VanDerWaalsContact O-CZ 3.24Å; K465-R572 PolarHBondContact O-NH1 3.28Å; K465-R572 PolarHBondContact O-NH2 3.47Å |
| 466 | N | 66.4 | Low | 63.1 | Low | 95 Ų | 95 | 68.4 Ų | 68.4 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -19.4 | -173.6 | -60.5 | -12.1 | 0 | 0 | 0 | 114.3 | P464 L569 R572 | P464-N466 PolarHBondContact O-N 2.74Å; N466-L569 HydrophobicContact CB-CD2 4.21Å; N466-R572 PolarHBondContact OD1-NH1 2.81Å |
| 467 | T | 74.5 | Confident | 65.1 | Low | 48 Ų | 48 | 69.1 Ų | 69.1 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | trans | -76.7 | 135.4 | -171.3 | 25.4 | 0 | 0 | 0 | 0 | 113.7 | P464 H469 P568 | P464-T467 WeakPolarHBondContact CB-OG1 3.46Å; P464-T467 WeakPolarHBondContact CD-OG1 3.49Å; P464-T467 WeakPolarHBondContact CG-OG1 3.17Å; P464-T467 PolarHBondContact O-N 2.92Å; P464-T467 PolarHBondContact O-OG1 3.04Å; T467-H469 PolarHBondContact O-ND1 2.85Å; T467-P568 WeakPolarHBondContact O-CD 3.15Å; T467-P568 VanDerWaalsContact O-CG 3.31Å; T467-P568 WeakPolarHBondContact O-CG 3.19Å | ||
| 468 | P | 85.4 | Confident | 66.6 | Low | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.032 | 38% | 0.382 | C | S | . | . | trans | -63.6 | 149.3 | 168.7 | -13.9 | 27.2 | 0 | 0 | 0 | 112.2 | L487 T521 V526 F565 | P468-L487 HydrophobicContact CB-CB 4.43Å; P468-L487 HydrophobicContact CB-CD1 4.19Å; P468-L487 PolarHBondContact O-N 3.06Å; P468-T521 HydrophobicContact CG-CG2 3.99Å; P468-V526 HydrophobicContact CB-CG2 3.86Å; P468-V526 HydrophobicContact CG-CG2 3.66Å; P468-F565 HydrophobicContact CB-CE2 3.75Å; P468-F565 HydrophobicContact CB-CZ 4.05Å | ||
| 469 | H | 86.7 | Confident | 68.3 | Low | 7 Ų | 7 | 69.4 Ų | 69.4 | 3% | 0.032 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.6 | 179.7 | 51.6 | -91.7 | 0 | 0 | 0 | 113.3 | S463 T467 I484 Y485 Y486 N566 | S463-H469 PolarHBondContact OG-CE1 2.77Å; S463-H469 VanDerWaalsContact OG-CE1 3.29Å; T467-H469 PolarHBondContact O-ND1 2.85Å; H469-I484 HydrophobicContact CB-CG2 3.83Å; H469-Y485 CarbonylContact C-O 3.58Å; H469-Y485 WeakPolarHBondContact CA-O 3.41Å; H469-Y485 VanDerWaalsContact CB-O 3.31Å; H469-Y485 WeakPolarHBondContact CB-O 3.12Å; H469-Y486 HydrophobicContact CB-CD1 3.85Å; H469-Y486 HydrophobicContact CB-CE1 4.18Å; H469-N566 PolarHBondContact CE1-ND2 2.85Å; H469-N566 PolarHBondContact N-O 2.89Å; H469-N566 PolarHBondContact NE2-ND2 2.67Å; H469-N566 PolarHBondContact O-N 3.23Å |
| 470 | L | 89.8 | Confident | 70.2 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 140.8 | 167.1 | -60.3 | 172.3 | 0 | 0 | 0 | 109.3 | I484 Y485 L487 F519 F563 F565 | L470-I484 CarbonylContact O-C 3.58Å; L470-I484 VanDerWaalsContact O-CA 3.27Å; L470-I484 WeakPolarHBondContact O-CA 3.4Å; L470-Y485 PolarHBondContact N-O 3.01Å; L470-Y485 PolarHBondContact O-N 3.22Å; L470-L487 HydrophobicContact CG-CD2 4.46Å; L470-F519 HydrophobicContact CD1-CE1 4.28Å; L470-F519 HydrophobicContact CD1-CE2 4.09Å; L470-F519 HydrophobicContact CD1-CZ 3.68Å; L470-F519 HydrophobicContact CD2-CE1 3.85Å; L470-F519 HydrophobicContact CD2-CZ 3.9Å; L470-F519 HydrophobicContact CG-CE1 4.4Å; L470-F519 HydrophobicContact CG-CZ 4.26Å; L470-F563 HydrophobicContact CB-CB 4.28Å; L470-F563 HydrophobicContact CB-CD1 4.27Å; L470-F563 HydrophobicContact CB-CG 4.35Å; L470-F563 HydrophobicContact CD2-CB 4.28Å; L470-F565 HydrophobicContact CD2-CB 4.06Å; L470-F565 HydrophobicContact CD2-CD2 4.22Å |
| 471 | V | 88 | Confident | 72.1 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.4 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | E481 I484 F563 R564 | V471-E481 HydrophobicContact CG1-CB 3.71Å; V471-E481 HydrophobicContact CG1-CG 3.82Å; V471-I484 HydrophobicContact CB-CG1 4.48Å; V471-I484 HydrophobicContact CG1-CD1 4.39Å; V471-I484 HydrophobicContact CG1-CG1 4.24Å; V471-I484 HydrophobicContact CG2-CD1 4.05Å; V471-I484 HydrophobicContact CG2-CG1 4.13Å; V471-F563 CarbonylContact O-C 3.56Å; V471-F563 VanDerWaalsContact O-CA 3.24Å; V471-F563 WeakPolarHBondContact O-CA 3.25Å; V471-R564 PolarHBondContact N-O 3.17Å; V471-R564 PolarHBondContact O-N 2.9Å |
| 472 | N | 90.9 | Very high | 73.5 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 147 | 178.9 | 78.7 | -54.2 | 0 | 0 | 0 | 112.8 | M479 E481 C482 L483 F563 | N472-M479 PolarHBondContact ND2-O 3.26Å; N472-E481 PolarHBondContact O-N 3.33Å; N472-E481 WeakPolarHBondContact OD1-CA 3.29Å; N472-E481 PolarHBondContact OD1-N 3.07Å; N472-E481 VanDerWaalsContact OD1-N 3.17Å; N472-C482 PolarHBondContact OD1-N 3.28Å; N472-C482 VanDerWaalsContact OD1-N 3.08Å; N472-L483 HydrophobicContact CB-CB 4.05Å; N472-L483 PolarHBondContact N-O 3.45Å; N472-L483 PolarHBondContact OD1-N 2.99Å; N472-L483 PolarHBondContact OD1-O 2.96Å; N472-F563 HydrophobicContact CB-CD1 4.22Å; N472-F563 HydrophobicContact CB-CE1 4.23Å |
| 473 | L | 87.9 | Confident | 75.3 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.6 | 164.4 | -57 | 177.5 | 0 | 0 | 0 | 107.5 | V562 R564 W591 A594 | L473-V562 HydrophobicContact CB-CB 4.31Å; L473-V562 HydrophobicContact CB-CG1 3.89Å; L473-V562 HydrophobicContact CD1-CG1 4.06Å; L473-V562 HydrophobicContact CG-CG1 4.43Å; L473-V562 PolarHBondContact N-O 3.37Å; L473-R564 HydrophobicContact CD1-CB 4.15Å; L473-R564 HydrophobicContact CD2-CB 4.32Å; L473-R564 HydrophobicContact CG-CB 4.22Å; L473-W591 HydrophobicContact CB-CB 4.29Å; L473-A594 HydrophobicContact CD1-CB 4.09Å |
| 474 | N | 84.8 | Confident | 77 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | trans | -133.8 | 151.6 | -174.8 | -160.4 | -15.4 | 0 | 0 | 0 | 110.2 | D476 M479 S480 W591 | N474-D476 PolarHBondContact O-N 3.35Å; N474-M479 HydrophobicContact CB-CB 4.15Å; N474-M479 VanDerWaalsContact ND2-CB 3.25Å; N474-M479 WeakPolarHBondContact ND2-CB 3.42Å; N474-S480 PolarHBondContact N-OG 3.11Å; N474-S480 PolarHBondContact O-OG 2.93Å; N474-S480 VanDerWaalsContact O-OG 3.1Å; N474-W591 WeakPolarHBondContact O-CB 3.38Å | ||
| 475 | E | 81.3 | Confident | 78.5 | Confident | 132 Ų | 132 | 60.4 Ų | 60.4 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -60.5 | -36.1 | 178.2 | -174.7 | 172.9 | -169.3 | 0 | 0 | 111.2 | P477 W591 | E475-P477 WeakPolarHBondContact O-CD 3.3Å; E475-W591 HydrophobicContact CB-CD2 4.01Å; E475-W591 HydrophobicContact CB-CE3 4.15Å; E475-W591 HydrophobicContact CB-CH2 4.25Å; E475-W591 HydrophobicContact CB-CZ2 4.12Å; E475-W591 HydrophobicContact CB-CZ3 4.27Å; E475-W591 HydrophobicContact CG-CE3 4.16Å; E475-W591 HydrophobicContact CG-CH2 4.03Å; E475-W591 HydrophobicContact CG-CZ2 4.4Å; E475-W591 HydrophobicContact CG-CZ3 3.91Å |
| 476 | D | 74.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 56.2 Ų | 56.2 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -78.7 | 117.4 | 163.9 | 179.6 | 5.9 | 0 | 0 | 0 | 110.9 | N474 A478 M479 S480 | N474-D476 PolarHBondContact O-N 3.35Å; D476-A478 PolarHBondContact O-N 3.32Å; D476-A478 WeakPolarHBondContact OD1-CB 3.33Å; D476-A478 PolarHBondContact OD1-N 3.13Å; D476-M479 HydrophobicContact CB-CB 4.24Å; D476-M479 HydrophobicContact CB-CG 4.3Å; D476-M479 PolarHBondContact O-N 3.13Å; D476-M479 VanDerWaalsContact O-N 3.09Å; D476-M479 WeakPolarHBondContact OD2-CG 3.36Å; D476-S480 PolarHBondContact O-N 3.2Å |
| 477 | P | 73.9 | Confident | 80.8 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 68% | 0.682 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.1 | 175.3 | -22.7 | 35.1 | 0 | 0 | 0 | 114.2 | E475 M479 | E475-P477 WeakPolarHBondContact O-CD 3.3Å; P477-M479 VanDerWaalsContact C-N 3.29Å |
| 478 | A | 64.5 | Low | 81.1 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D476 C482 | D476-A478 PolarHBondContact O-N 3.32Å; D476-A478 WeakPolarHBondContact OD1-CB 3.33Å; D476-A478 PolarHBondContact OD1-N 3.13Å; A478-C482 PolarHBondContact O-SG 3.43Å |
| 479 | M | 72.4 | Confident | 80.9 | Confident | 101 Ų | 101 | 62 Ų | 62 | 50% | 0.498 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -103.9 | 0.7 | 178.5 | -66.2 | -67.9 | -70.7 | 0 | 0 | 113.1 | N472 N474 D476 P477 | N472-M479 PolarHBondContact ND2-O 3.26Å; N474-M479 HydrophobicContact CB-CB 4.15Å; N474-M479 VanDerWaalsContact ND2-CB 3.25Å; N474-M479 WeakPolarHBondContact ND2-CB 3.42Å; D476-M479 HydrophobicContact CB-CB 4.24Å; D476-M479 HydrophobicContact CB-CG 4.3Å; D476-M479 PolarHBondContact O-N 3.13Å; D476-M479 VanDerWaalsContact O-N 3.09Å; D476-M479 WeakPolarHBondContact OD2-CG 3.36Å; P477-M479 VanDerWaalsContact C-N 3.29Å |
| 480 | S | 77.1 | Confident | 80.9 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 145.9 | 170.8 | -73.7 | 0 | 0 | 0 | 0 | 111.3 | N474 D476 C482 | N474-S480 PolarHBondContact N-OG 3.11Å; N474-S480 PolarHBondContact O-OG 2.93Å; N474-S480 VanDerWaalsContact O-OG 3.1Å; D476-S480 PolarHBondContact O-N 3.2Å; S480-C482 PolarHBondContact O-N 3.33Å; S480-C482 VanDerWaalsContact O-N 3.14Å |
| 481 | E | 78.6 | Confident | 80.7 | Confident | 101 Ų | 101 | 69.5 Ų | 69.5 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 6.2 | -179.4 | -41.3 | -167.7 | 174 | 0 | 0 | 116.4 | V471 N472 R564 | V471-E481 HydrophobicContact CG1-CB 3.71Å; V471-E481 HydrophobicContact CG1-CG 3.82Å; N472-E481 PolarHBondContact O-N 3.33Å; N472-E481 WeakPolarHBondContact OD1-CA 3.29Å; N472-E481 PolarHBondContact OD1-N 3.07Å; N472-E481 VanDerWaalsContact OD1-N 3.17Å; E481-R564 IonicContact OE1-CZ 2.72Å; E481-R564 IonicContact OE1-NH1 3.14Å; E481-R564 PolarHBondContact OE1-NH1 2.83Å; E481-R564 IonicContact OE1-NH2 2.9Å; E481-R564 PolarHBondContact OE1-NH2 3.05Å; E481-R564 IonicContact OE2-NH2 3.29Å |
| 482 | C | 73.1 | Confident | 80.8 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 45% | 0.446 | 37% | 0.365 | S | S | . | . | trans | -74.7 | -27 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 113.9 | N472 A478 S480 | N472-C482 PolarHBondContact OD1-N 3.28Å; N472-C482 VanDerWaalsContact OD1-N 3.08Å; A478-C482 PolarHBondContact O-SG 3.43Å; S480-C482 PolarHBondContact O-N 3.33Å; S480-C482 VanDerWaalsContact O-N 3.14Å | ||
| 483 | L | 76.9 | Confident | 80.8 | Confident | 87 Ų | 87 | 70.4 Ų | 70.4 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | trans | -111.8 | 121.8 | -178.8 | -56.1 | 175 | 0 | 0 | 0 | 109.7 | N472 Y485 | N472-L483 HydrophobicContact CB-CB 4.05Å; N472-L483 PolarHBondContact N-O 3.45Å; N472-L483 PolarHBondContact OD1-N 2.99Å; N472-L483 PolarHBondContact OD1-O 2.96Å; L483-Y485 HydrophobicContact CB-CE2 3.88Å | ||
| 484 | I | 81.3 | Confident | 80.9 | Confident | 38 Ų | 38 | 70 Ų | 70 | 20% | 0.195 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.4 | 177.8 | -61.9 | -169 | 0 | 0 | 0 | 109.8 | V461 H469 L470 V471 Y486 | V461-I484 HydrophobicContact CB-CB 3.93Å; V461-I484 HydrophobicContact CB-CD1 3.99Å; V461-I484 HydrophobicContact CB-CG1 4.14Å; V461-I484 HydrophobicContact CG1-CB 4.2Å; V461-I484 HydrophobicContact CG2-CB 3.83Å; V461-I484 HydrophobicContact CG2-CD1 3.98Å; V461-I484 HydrophobicContact CG2-CG1 3.78Å; H469-I484 HydrophobicContact CB-CG2 3.83Å; L470-I484 CarbonylContact O-C 3.58Å; L470-I484 VanDerWaalsContact O-CA 3.27Å; L470-I484 WeakPolarHBondContact O-CA 3.4Å; V471-I484 HydrophobicContact CB-CG1 4.48Å; V471-I484 HydrophobicContact CG1-CD1 4.39Å; V471-I484 HydrophobicContact CG1-CG1 4.24Å; V471-I484 HydrophobicContact CG2-CD1 4.05Å; V471-I484 HydrophobicContact CG2-CG1 4.13Å; I484-Y486 HydrophobicContact CG2-CE1 4.08Å |
| 485 | Y | 84.6 | Confident | 81.1 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.3 | -178 | -58.3 | -93.8 | 0 | 0 | 0 | 110.1 | H469 L470 L483 I505 F563 | H469-Y485 CarbonylContact C-O 3.58Å; H469-Y485 WeakPolarHBondContact CA-O 3.41Å; H469-Y485 VanDerWaalsContact CB-O 3.31Å; H469-Y485 WeakPolarHBondContact CB-O 3.12Å; L470-Y485 PolarHBondContact N-O 3.01Å; L470-Y485 PolarHBondContact O-N 3.22Å; L483-Y485 HydrophobicContact CB-CE2 3.88Å; Y485-I505 HydrophobicContact CD1-CG1 4.31Å; Y485-I505 HydrophobicContact CD1-CG2 3.57Å; Y485-I505 HydrophobicContact CE1-CG2 3.86Å; Y485-I505 HydrophobicContact CG-CD1 4.49Å; Y485-I505 HydrophobicContact CG-CG2 4.15Å; Y485-F563 HydrophobicContact CD2-CE1 4.05Å; Y485-F563 AromaticContact CE2-CE1 3.76Å; Y485-F563 HydrophobicContact CE2-CE1 3.76Å; Y485-F563 HydrophobicContact CE2-CZ 4.36Å |
| 486 | Y | 84 | Confident | 81.3 | Confident | 69 Ų | 69 | 64 Ų | 64 | 27% | 0.271 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 137.1 | 178.4 | -60.5 | -65.8 | 0 | 0 | 0 | 111.7 | V461 F462 S463 H469 I484 | V461-Y486 HydrophobicContact CG1-CE2 4.45Å; V461-Y486 WeakPolarHBondContact CG1-OH 3.31Å; F462-Y486 PolarHBondContact O-OH 2.89Å; S463-Y486 WeakPolarHBondContact CA-OH 3.49Å; S463-Y486 PolarHBondContact N-OH 2.55Å; H469-Y486 HydrophobicContact CB-CD1 3.85Å; H469-Y486 HydrophobicContact CB-CE1 4.18Å; I484-Y486 HydrophobicContact CG2-CE1 4.08Å |
| 487 | L | 86.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 129.4 | 169.6 | -54.7 | -175.3 | 0 | 0 | 0 | 109 | P468 L470 T492 I505 F519 V526 F565 | P468-L487 HydrophobicContact CB-CB 4.43Å; P468-L487 HydrophobicContact CB-CD1 4.19Å; P468-L487 PolarHBondContact O-N 3.06Å; L470-L487 HydrophobicContact CG-CD2 4.46Å; L487-T492 HydrophobicContact CD2-CG2 4.11Å; L487-I505 HydrophobicContact CD2-CD1 4.23Å; L487-F519 HydrophobicContact CD1-CB 3.96Å; L487-F519 HydrophobicContact CD1-CD1 3.51Å; L487-F519 HydrophobicContact CD1-CE1 4.25Å; L487-F519 HydrophobicContact CD1-CG 3.95Å; L487-F519 HydrophobicContact CD2-CB 4.01Å; L487-F519 HydrophobicContact CD2-CD1 3.99Å; L487-F519 HydrophobicContact CD2-CD2 4.18Å; L487-F519 HydrophobicContact CD2-CE1 4.5Å; L487-F519 HydrophobicContact CD2-CG 3.81Å; L487-F519 HydrophobicContact CG-CD1 4.43Å; L487-V526 HydrophobicContact CD1-CG1 3.73Å; L487-F565 HydrophobicContact CD1-CD2 4.27Å; L487-F565 HydrophobicContact CD1-CE2 3.78Å |
| 488 | K | 81.5 | Confident | 81 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 149.3 | 173.4 | -59 | -179.4 | -177.6 | -179.5 | 0 | 109.4 | T492 D504 T521 | K488-T492 PolarHBondContact N-OG1 3.37Å; K488-T492 PolarHBondContact O-OG1 2.89Å; K488-D504 HydrophobicContact CD-CB 4.37Å; K488-D504 WeakPolarHBondContact CE-OD1 3.2Å; K488-D504 IonicContact NZ-OD1 3.61Å; K488-D504 PolarHBondContact NZ-OD1 2.66Å; K488-T521 WeakPolarHBondContact O-CB 3.34Å; K488-T521 PolarHBondContact O-OG1 3.3Å |
| 489 | E | 80.8 | Confident | 81.2 | Confident | 156 Ų | 156 | 63.8 Ų | 63.8 | 73% | 0.729 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -71.1 | 135.6 | 169.4 | -167.3 | 148.5 | -148.1 | 0 | 0 | 109.4 | ||
| 490 | G | 86.2 | Confident | 81 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 87 | -127.2 | -160.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y520 T521 | G490-Y520 CarbonylContact O-C 3.55Å; G490-Y520 WeakPolarHBondContact O-CA 3.16Å; G490-T521 PolarHBondContact N-O 2.72Å; G490-T521 PolarHBondContact O-N 3.49Å |
| 491 | K | 87.3 | Confident | 80.2 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 144.3 | -177.3 | -56.6 | -171.8 | -171.2 | -177.2 | 0 | 111.7 | I518 F519 Y520 | K491-I518 HydrophobicContact CB-CG2 4.35Å; K491-F519 CarbonylContact C-O 3.6Å; K491-F519 WeakPolarHBondContact CA-O 3.09Å; K491-Y520 HydrophobicContact CD-CE1 3.95Å; K491-Y520 HydrophobicContact CG-CD1 3.99Å; K491-Y520 HydrophobicContact CG-CE1 3.92Å |
| 492 | T | 89.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 110.9 | 166.9 | -51.2 | 0 | 0 | 0 | 0 | 108.9 | L487 K488 D504 I505 I518 F519 | L487-T492 HydrophobicContact CD2-CG2 4.11Å; K488-T492 PolarHBondContact N-OG1 3.37Å; K488-T492 PolarHBondContact O-OG1 2.89Å; T492-D504 WeakPolarHBondContact CA-OD2 3.42Å; T492-D504 HydrophobicContact CG2-CB 3.7Å; T492-I505 HydrophobicContact CG2-CD1 3.77Å; T492-I505 HydrophobicContact CG2-CG1 4.07Å; T492-I518 WeakPolarHBondContact O-CA 3.13Å; T492-F519 PolarHBondContact N-O 3.41Å; T492-F519 PolarHBondContact O-N 3.06Å |
| 493 | I | 90.2 | Very high | 80.1 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 20% | 0.195 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128 | 179.7 | -52.2 | 176.5 | 0 | 0 | 0 | 109.4 | V503 D504 I505 E515 I518 | I493-V503 HydrophobicContact CG2-CG1 4.13Å; I493-D504 PolarHBondContact N-OD2 2.79Å; I493-D504 WeakPolarHBondContact O-CA 3.37Å; I493-D504 WeakPolarHBondContact O-CB 3.05Å; I493-D504 PolarHBondContact O-N 3.18Å; I493-I505 PolarHBondContact O-N 3.11Å; I493-E515 HydrophobicContact CG2-CB 4.37Å; I493-E515 HydrophobicContact CG2-CG 4.3Å; I493-I518 HydrophobicContact CG1-CG1 4.43Å |
| 494 | V | 90.8 | Very high | 80.4 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.2 | 174.9 | -170.3 | 0 | 0 | 0 | 0 | 109 | I505 L507 H516 C517 F519 L557 | V494-I505 WeakPolarHBondContact CA-O 3.1Å; V494-I505 HydrophobicContact CB-CB 4.36Å; V494-I505 HydrophobicContact CG1-CB 4.08Å; V494-I505 HydrophobicContact CG1-CG2 4Å; V494-I505 HydrophobicContact CG2-CB 4.03Å; V494-I505 HydrophobicContact CG2-CD1 4.02Å; V494-I505 HydrophobicContact CG2-CG1 4.48Å; V494-L507 HydrophobicContact CG1-CD1 3.72Å; V494-L507 HydrophobicContact CG1-CG 4.1Å; V494-H516 WeakPolarHBondContact O-CA 3.22Å; V494-H516 WeakPolarHBondContact O-CB 3.03Å; V494-H516 PolarHBondContact O-N 3.09Å; V494-C517 PolarHBondContact N-O 3.13Å; V494-C517 PolarHBondContact O-N 3.42Å; V494-C517 VanDerWaalsContact O-N 3.15Å; V494-F519 HydrophobicContact CG2-CD2 3.76Å; V494-F519 HydrophobicContact CG2-CE2 3.62Å; V494-L557 HydrophobicContact CG1-CD1 4.01Å |
| 495 | G | 88.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | -156.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | I505 L507 H513 N514 | G495-I505 PolarHBondContact N-O 2.98Å; G495-L507 PolarHBondContact O-N 2.84Å; G495-H513 CarbonylContact C-O 3.52Å; G495-H513 WeakPolarHBondContact CA-O 3.37Å; G495-N514 WeakPolarHBondContact CA-O 3.38Å |
| 496 | R | 85.6 | Confident | 80.8 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 25% | 0.253 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.7 | -176.4 | -168.7 | -179.2 | 178.2 | 118.4 | 1 | 110.6 | E498 S499 L507 I512 H513 N514 N1432 | R496-E498 HydrophobicContact CG-CB 4.5Å; R496-E498 IonicContact CZ-OE2 3.89Å; R496-E498 VanDerWaalsContact CZ-OE2 3.23Å; R496-E498 IonicContact NE-OE2 3.08Å; R496-E498 PolarHBondContact NE-OE2 3.36Å; R496-E498 IonicContact NH2-OE2 2.78Å; R496-E498 PolarHBondContact NH2-OE2 2.89Å; R496-E498 PolarHBondContact O-N 2.84Å; R496-S499 WeakPolarHBondContact O-CB 3.49Å; R496-S499 PolarHBondContact O-N 3.02Å; R496-S499 PolarHBondContact O-OG 3.41Å; R496-S499 VanDerWaalsContact O-OG 3.08Å; R496-L507 WeakPolarHBondContact CA-O 3.23Å; R496-I512 HydrophobicContact CB-CG2 4.33Å; R496-H513 PolarHBondContact N-O 3.05Å; R496-N514 PolarHBondContact N-O 3.23Å; R496-N514 VanDerWaalsContact N-O 3.14Å; R496-N1432 PolarHBondContact NH2-ND2 3.2Å |
| 497 | L | 72.9 | Confident | 80.9 | Confident | 116 Ų | 116 | 54.9 Ų | 54.9 | 61% | 0.607 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.5 | -179.3 | -170.3 | 67.4 | 0 | 0 | 0 | 114.5 | L507 | L497-L507 PolarHBondContact N-O 3.34Š|
| 498 | E | 69 | Low | 80.6 | Confident | 122 Ų | 122 | 59.1 Ų | 59.1 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 7.9 | -178.9 | -57 | 173.3 | 118.7 | 0 | 0 | 114.3 | R496 N1432 | R496-E498 HydrophobicContact CG-CB 4.5Å; R496-E498 IonicContact CZ-OE2 3.89Å; R496-E498 VanDerWaalsContact CZ-OE2 3.23Å; R496-E498 IonicContact NE-OE2 3.08Å; R496-E498 PolarHBondContact NE-OE2 3.36Å; R496-E498 IonicContact NH2-OE2 2.78Å; R496-E498 PolarHBondContact NH2-OE2 2.89Å; R496-E498 PolarHBondContact O-N 2.84Å; E498-N1432 PolarHBondContact OE1-ND2 2.61Å; E498-N1432 PolarHBondContact OE2-ND2 3.06Å |
| 499 | S | 68.8 | Low | 80.3 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | trans | -72.7 | 140.5 | -172.8 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | R496 S501 V503 | R496-S499 WeakPolarHBondContact O-CB 3.49Å; R496-S499 PolarHBondContact O-N 3.02Å; R496-S499 PolarHBondContact O-OG 3.41Å; R496-S499 VanDerWaalsContact O-OG 3.08Å; S499-S501 VanDerWaalsContact C-N 3.29Å; S499-S501 PolarHBondContact OG-O 2.8Å; S499-V503 WeakPolarHBondContact OG-CG1 3.43Å | ||
| 500 | E | 67.7 | Low | 80.2 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -67.3 | -31.8 | 170.5 | -66.3 | 175.7 | -105.7 | 0 | 0 | 111.8 | N1429 | E500-N1429 WeakPolarHBondContact CG-OD1 3.19Å; E500-N1429 PolarHBondContact OE1-ND2 2.89Å; E500-N1429 PolarHBondContact OE1-OD1 2.86Å; E500-N1429 PolarHBondContact OE2-ND2 3.19Å; E500-N1429 PolarHBondContact OE2-OD1 3.49Å |
| 501 | S | 60.9 | Low | 80 | Confident | 49 Ų | 49 | 55 Ų | 55 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -65.1 | 133.2 | 164.5 | -61 | 0 | 0 | 0 | 0 | 110.7 | S499 V503 E515 | S499-S501 VanDerWaalsContact C-N 3.29Å; S499-S501 PolarHBondContact OG-O 2.8Å; S501-V503 PolarHBondContact O-N 2.78Å; S501-E515 WeakPolarHBondContact CB-OE1 3.19Å; S501-E515 PolarHBondContact OG-OE1 2.98Å |
| 502 | G | 66.7 | Low | 80 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | trans | -70.5 | 96.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 503 | V | 81.9 | Confident | 79.9 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 21% | 0.212 | 31% | 0.31 | C | S | . | . | trans | -80.6 | 144.7 | 171.2 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | I493 S499 S501 N514 | I493-V503 HydrophobicContact CG2-CG1 4.13Å; S499-V503 WeakPolarHBondContact OG-CG1 3.43Å; S501-V503 PolarHBondContact O-N 2.78Å; V503-N514 WeakPolarHBondContact CG1-O 3.18Å | ||
| 504 | D | 84.5 | Confident | 79.7 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -87.7 | -28.4 | 176.2 | -61.8 | -66.6 | 0 | 0 | 0 | 112.4 | K488 T492 I493 | K488-D504 HydrophobicContact CD-CB 4.37Å; K488-D504 WeakPolarHBondContact CE-OD1 3.2Å; K488-D504 IonicContact NZ-OD1 3.61Å; K488-D504 PolarHBondContact NZ-OD1 2.66Å; T492-D504 WeakPolarHBondContact CA-OD2 3.42Å; T492-D504 HydrophobicContact CG2-CB 3.7Å; I493-D504 PolarHBondContact N-OD2 2.79Å; I493-D504 WeakPolarHBondContact O-CA 3.37Å; I493-D504 WeakPolarHBondContact O-CB 3.05Å; I493-D504 PolarHBondContact O-N 3.18Å |
| 505 | I | 87.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 5% | 0.051 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 108.7 | 173.8 | -60.8 | 169.7 | 0 | 0 | 0 | 108.1 | Y485 L487 T492 I493 V494 G495 L507 | Y485-I505 HydrophobicContact CD1-CG1 4.31Å; Y485-I505 HydrophobicContact CD1-CG2 3.57Å; Y485-I505 HydrophobicContact CE1-CG2 3.86Å; Y485-I505 HydrophobicContact CG-CD1 4.49Å; Y485-I505 HydrophobicContact CG-CG2 4.15Å; L487-I505 HydrophobicContact CD2-CD1 4.23Å; T492-I505 HydrophobicContact CG2-CD1 3.77Å; T492-I505 HydrophobicContact CG2-CG1 4.07Å; I493-I505 PolarHBondContact O-N 3.11Å; V494-I505 WeakPolarHBondContact CA-O 3.1Å; V494-I505 HydrophobicContact CB-CB 4.36Å; V494-I505 HydrophobicContact CG1-CB 4.08Å; V494-I505 HydrophobicContact CG1-CG2 4Å; V494-I505 HydrophobicContact CG2-CB 4.03Å; V494-I505 HydrophobicContact CG2-CD1 4.02Å; V494-I505 HydrophobicContact CG2-CG1 4.48Å; G495-I505 PolarHBondContact N-O 2.98Å; I505-L507 HydrophobicContact CG2-CD2 4.18Å; I505-L507 HydrophobicContact CG2-CG 4.34Å |
| 506 | G | 87 | Confident | 79.6 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 507 | L | 86.4 | Confident | 79.9 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 156.8 | 173.7 | -58.7 | 178.5 | 0 | 0 | 0 | 110.2 | V494 G495 R496 L497 I505 I512 L557 H561 F563 | V494-L507 HydrophobicContact CG1-CD1 3.72Å; V494-L507 HydrophobicContact CG1-CG 4.1Å; G495-L507 PolarHBondContact O-N 2.84Å; R496-L507 WeakPolarHBondContact CA-O 3.23Å; L497-L507 PolarHBondContact N-O 3.34Å; I505-L507 HydrophobicContact CG2-CD2 4.18Å; I505-L507 HydrophobicContact CG2-CG 4.34Å; L507-I512 HydrophobicContact CB-CG1 4.26Å; L507-I512 HydrophobicContact CB-CG2 4.21Å; L507-I512 HydrophobicContact CD1-CD1 4.3Å; L507-L557 HydrophobicContact CD1-CD1 3.97Å; L507-H561 HydrophobicContact CD1-CB 4.32Å; L507-F563 HydrophobicContact CD1-CE2 3.95Å; L507-F563 HydrophobicContact CD1-CZ 4.06Å; L507-F563 HydrophobicContact CD2-CZ 3.95Å |
| 508 | S | 80.5 | Confident | 80.8 | Confident | 91 Ų | 91 | 50.8 Ų | 50.8 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | trans | -115.8 | 128.1 | 179.1 | 51.1 | 0 | 0 | 0 | 0 | 111 | H561 | S508-H561 PolarHBondContact O-CE1 3.21Å; S508-H561 PolarHBondContact O-NE2 2.94Å | ||
| 509 | G | 74.7 | Confident | 82 | Confident | 19 Ų | 19 | 45 Ų | 45 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 169.2 | 158 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L511 I512 | G509-L511 PolarHBondContact O-N 2.96Å; G509-I512 PolarHBondContact O-N 3.26Å |
| 510 | P | 77.4 | Confident | 83.1 | Confident | 126 Ų | 126 | 45.8 Ų | 45.8 | 82% | 0.818 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.7 | -177.8 | 29.4 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 511 | L | 83.1 | Confident | 84 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 38% | 0.377 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 12.8 | -178.5 | -65.3 | 172.4 | 0 | 0 | 0 | 112.6 | G509 H516 G558 K559 | G509-L511 PolarHBondContact O-N 2.96Å; L511-H516 PolarHBondContact O-CE1 2.93Å; L511-G558 VanDerWaalsContact CB-O 3.25Å; L511-G558 WeakPolarHBondContact CB-O 3.23Å; L511-G558 WeakPolarHBondContact CD1-O 3.42Å; L511-G558 WeakPolarHBondContact O-CA 3.49Å; L511-K559 HydrophobicContact CD1-CB 4.05Å; L511-K559 HydrophobicContact CD1-CD 3.9Å; L511-K559 HydrophobicContact CD1-CG 4.18Å |
| 512 | I | 87.4 | Confident | 85 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -96.1 | 123.4 | 170.4 | -65.1 | -61.5 | 0 | 0 | 0 | 108.5 | R496 L507 G509 L557 | R496-I512 HydrophobicContact CB-CG2 4.33Å; L507-I512 HydrophobicContact CB-CG1 4.26Å; L507-I512 HydrophobicContact CB-CG2 4.21Å; L507-I512 HydrophobicContact CD1-CD1 4.3Å; G509-I512 PolarHBondContact O-N 3.26Å; I512-L557 HydrophobicContact CD1-CB 4.02Å | ||
| 513 | H | 87.4 | Confident | 85.3 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 32% | 0.324 | 26% | 0.262 | S | S | . | . | trans | -83.1 | 158.4 | -179.6 | -70.5 | -132.2 | 0 | 0 | 0 | 110.7 | G495 R496 E515 H516 N533 | G495-H513 CarbonylContact C-O 3.52Å; G495-H513 WeakPolarHBondContact CA-O 3.37Å; R496-H513 PolarHBondContact N-O 3.05Å; H513-E515 VanDerWaalsContact CB-O 3.31Å; H513-E515 WeakPolarHBondContact CB-O 3.21Å; H513-E515 PolarHBondContact O-N 3.27Å; H513-H516 HydrophobicContact CB-CB 4.29Å; H513-H516 AromaticContact CD2-CE1 3.81Å; H513-H516 AromaticContact CD2-ND1 3.71Å; H513-H516 PolarHBondContact N-ND1 3Å; H513-H516 VanDerWaalsContact N-ND1 3.14Å; H513-N533 PolarHBondContact CE1-O 2.96Å; H513-N533 VanDerWaalsContact CE1-O 3.25Å; H513-N533 PolarHBondContact NE2-O 2.93Å | ||
| 514 | N | 85.5 | Confident | 84.9 | Confident | 93 Ų | 93 | 45.7 Ų | 45.7 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -51.8 | -45.4 | -180 | -73.8 | 5.5 | 0 | 0 | 0 | 111.6 | G495 R496 V503 | G495-N514 WeakPolarHBondContact CA-O 3.38Å; R496-N514 PolarHBondContact N-O 3.23Å; R496-N514 VanDerWaalsContact N-O 3.14Å; V503-N514 WeakPolarHBondContact CG1-O 3.18Å |
| 515 | E | 86.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 47.1 Ų | 47.1 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.4 | 159.6 | -56.3 | 172 | -149.7 | 0 | 0 | 106 | I493 S501 H513 L531 | I493-E515 HydrophobicContact CG2-CB 4.37Å; I493-E515 HydrophobicContact CG2-CG 4.3Å; S501-E515 WeakPolarHBondContact CB-OE1 3.19Å; S501-E515 PolarHBondContact OG-OE1 2.98Å; H513-E515 VanDerWaalsContact CB-O 3.31Å; H513-E515 WeakPolarHBondContact CB-O 3.21Å; H513-E515 PolarHBondContact O-N 3.27Å; E515-L531 HydrophobicContact CB-CD1 3.4Å |
| 516 | H | 90.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -46.4 | -168.1 | -167.3 | 88.3 | 0 | 0 | 0 | 112.1 | V494 L511 H513 L531 A534 E535 C536 L557 G558 | V494-H516 WeakPolarHBondContact O-CA 3.22Å; V494-H516 WeakPolarHBondContact O-CB 3.03Å; V494-H516 PolarHBondContact O-N 3.09Å; L511-H516 PolarHBondContact O-CE1 2.93Å; H513-H516 HydrophobicContact CB-CB 4.29Å; H513-H516 AromaticContact CD2-CE1 3.81Å; H513-H516 AromaticContact CD2-ND1 3.71Å; H513-H516 PolarHBondContact N-ND1 3Å; H513-H516 VanDerWaalsContact N-ND1 3.14Å; H516-L531 PolarHBondContact O-N 3.4Å; H516-A534 HydrophobicContact CB-CB 4.47Å; H516-A534 WeakPolarHBondContact O-CB 3.45Å; H516-E535 PolarHBondContact NE2-O 3.08Å; H516-C536 PolarHBondContact NE2-SG 3.5Å; H516-L557 VanDerWaalsContact NE2-CA 3.34Å; H516-L557 WeakPolarHBondContact NE2-CA 3.42Å; H516-G558 VanDerWaalsContact CE1-CA 3.5Å; H516-G558 WeakPolarHBondContact CE1-CA 3.04Å; H516-G558 PolarHBondContact NE2-N 2.79Å |
| 517 | C | 92.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 159.2 | 173.6 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | V494 F528 E529 | V494-C517 PolarHBondContact N-O 3.13Å; V494-C517 PolarHBondContact O-N 3.42Å; V494-C517 VanDerWaalsContact O-N 3.15Å; C517-F528 HydrophobicContact CB-CE2 3.66Å; C517-F528 HydrophobicContact CB-CZ 3.7Å; C517-F528 VanDerWaalsContact SG-CE2 3.59Å; C517-E529 CarbonylContact C-O 3.51Å; C517-E529 VanDerWaalsContact CA-O 3.29Å; C517-E529 WeakPolarHBondContact CA-O 3.47Å; C517-E529 WeakPolarHBondContact CB-O 3.28Å |
| 518 | I | 92.4 | Very high | 85.4 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.3 | 178.3 | -52.1 | 178.4 | 0 | 0 | 0 | 109.4 | K491 T492 I493 Y520 E529 L531 | K491-I518 HydrophobicContact CB-CG2 4.35Å; T492-I518 WeakPolarHBondContact O-CA 3.13Å; I493-I518 HydrophobicContact CG1-CG1 4.43Å; I518-Y520 HydrophobicContact CB-CE2 3.7Å; I518-Y520 HydrophobicContact CG2-CD2 4.03Å; I518-Y520 HydrophobicContact CG2-CE1 4.19Å; I518-Y520 HydrophobicContact CG2-CE2 3.46Å; I518-Y520 VanDerWaalsContact CG2-CE2 3.46Å; I518-E529 PolarHBondContact N-O 3.12Å; I518-E529 PolarHBondContact O-N 3.36Å; I518-L531 HydrophobicContact CD1-CD1 4.19Å; I518-L531 HydrophobicContact CD1-CD2 4.01Å; I518-L531 HydrophobicContact CD1-CG 4.44Å; I518-L531 HydrophobicContact CG1-CD1 3.96Å; I518-L531 HydrophobicContact CG1-CD2 4.37Å; I518-L531 HydrophobicContact CG1-CG 4.28Å |
| 519 | F | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.3 | 166.5 | -63.2 | -109.7 | 0 | 0 | 0 | 109.2 | L470 L487 K491 T492 V494 V526 E527 F528 L549 | L470-F519 HydrophobicContact CD1-CE1 4.28Å; L470-F519 HydrophobicContact CD1-CE2 4.09Å; L470-F519 HydrophobicContact CD1-CZ 3.68Å; L470-F519 HydrophobicContact CD2-CE1 3.85Å; L470-F519 HydrophobicContact CD2-CZ 3.9Å; L470-F519 HydrophobicContact CG-CE1 4.4Å; L470-F519 HydrophobicContact CG-CZ 4.26Å; L487-F519 HydrophobicContact CD1-CB 3.96Å; L487-F519 HydrophobicContact CD1-CD1 3.51Å; L487-F519 HydrophobicContact CD1-CE1 4.25Å; L487-F519 HydrophobicContact CD1-CG 3.95Å; L487-F519 HydrophobicContact CD2-CB 4.01Å; L487-F519 HydrophobicContact CD2-CD1 3.99Å; L487-F519 HydrophobicContact CD2-CD2 4.18Å; L487-F519 HydrophobicContact CD2-CE1 4.5Å; L487-F519 HydrophobicContact CD2-CG 3.81Å; L487-F519 HydrophobicContact CG-CD1 4.43Å; K491-F519 CarbonylContact C-O 3.6Å; K491-F519 WeakPolarHBondContact CA-O 3.09Å; T492-F519 PolarHBondContact N-O 3.41Å; T492-F519 PolarHBondContact O-N 3.06Å; V494-F519 HydrophobicContact CG2-CD2 3.76Å; V494-F519 HydrophobicContact CG2-CE2 3.62Å; F519-V526 HydrophobicContact CD1-CG1 4.18Å; F519-E527 CarbonylContact C-O 3.49Å; F519-E527 WeakPolarHBondContact CA-O 3.41Å; F519-F528 HydrophobicContact CD1-CD2 4.01Å; F519-F528 HydrophobicContact CD2-CD2 4.19Å; F519-F528 HydrophobicContact CD2-CE2 4.5Å; F519-F528 AromaticContact CE1-CD2 3.62Å; F519-F528 HydrophobicContact CE1-CD2 3.62Å; F519-F528 HydrophobicContact CE1-CE2 4.22Å; F519-F528 AromaticContact CE2-CD2 3.77Å; F519-F528 HydrophobicContact CE2-CD2 3.77Å; F519-F528 AromaticContact CE2-CE2 3.76Å; F519-F528 HydrophobicContact CE2-CE2 3.76Å; F519-F528 HydrophobicContact CG-CD2 4.29Å; F519-F528 AromaticContact CZ-CD2 3.47Å; F519-F528 HydrophobicContact CZ-CD2 3.47Å; F519-F528 VanDerWaalsContact CZ-CD2 3.47Å; F519-F528 AromaticContact CZ-CE2 3.6Å; F519-F528 HydrophobicContact CZ-CE2 3.6Å; F519-L549 HydrophobicContact CD1-CD1 3.78Å; F519-L549 HydrophobicContact CE1-CD1 3.42Å; F519-L549 VanDerWaalsContact CE1-CD1 3.42Å |
| 520 | Y | 92.2 | Very high | 86.6 | Confident | 32 Ų | 32 | 49 Ų | 49 | 13% | 0.125 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.9 | 176.7 | -60.1 | -101.9 | 0 | 0 | 0 | 108.2 | G490 K491 I518 V526 E527 E529 R546 | G490-Y520 CarbonylContact O-C 3.55Å; G490-Y520 WeakPolarHBondContact O-CA 3.16Å; K491-Y520 HydrophobicContact CD-CE1 3.95Å; K491-Y520 HydrophobicContact CG-CD1 3.99Å; K491-Y520 HydrophobicContact CG-CE1 3.92Å; I518-Y520 HydrophobicContact CB-CE2 3.7Å; I518-Y520 HydrophobicContact CG2-CD2 4.03Å; I518-Y520 HydrophobicContact CG2-CE1 4.19Å; I518-Y520 HydrophobicContact CG2-CE2 3.46Å; I518-Y520 VanDerWaalsContact CG2-CE2 3.46Å; Y520-V526 CarbonylContact O-C 3.54Å; Y520-V526 VanDerWaalsContact O-CA 3.28Å; Y520-V526 WeakPolarHBondContact O-CA 2.94Å; Y520-E527 PolarHBondContact N-O 2.69Å; Y520-E527 PolarHBondContact O-N 2.72Å; Y520-E529 HydrophobicContact CE2-CB 3.92Å; Y520-E529 WeakPolarHBondContact CE2-OE2 3.4Å; Y520-E529 PolarHBondContact OH-OE2 2.81Å; Y520-R546 VanDerWaalsContact CE1-NH2 3.3Å; Y520-R546 VanDerWaalsContact CE2-NH2 3.31Å; Y520-R546 PolarHBondContact OH-NH2 2.81Å |
| 521 | T | 86.7 | Confident | 87 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112.5 | -177.8 | -50.8 | 0 | 0 | 0 | 0 | 109.4 | P468 K488 G490 V526 | P468-T521 HydrophobicContact CG-CG2 3.99Å; K488-T521 WeakPolarHBondContact O-CB 3.34Å; K488-T521 PolarHBondContact O-OG1 3.3Å; G490-T521 PolarHBondContact N-O 2.72Å; G490-T521 PolarHBondContact O-N 3.49Å; T521-V526 HydrophobicContact CG2-CG2 4.26Å |
| 522 | E | 82.1 | Confident | 86.6 | Confident | 150 Ų | 150 | 48.8 Ų | 48.8 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 98.2 | 174.3 | -67.5 | -170.9 | -178.2 | 0 | 0 | 109.4 | S524 M525 | E522-S524 PolarHBondContact O-N 2.68Å; E522-M525 PolarHBondContact N-O 2.58Å; E522-M525 PolarHBondContact O-N 2.98Å |
| 523 | G | 73.7 | Confident | 86 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 47% | 0.474 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -101.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 524 | S | 71.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 0.3 | 178.9 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | E522 H567 Q570 | E522-S524 PolarHBondContact O-N 2.68Å; S524-H567 WeakPolarHBondContact CA-NE2 2.85Å; S524-H567 PolarHBondContact O-CD2 3.07Å; S524-H567 PolarHBondContact O-NE2 2.95Å; S524-Q570 PolarHBondContact O-NE2 3.08Å |
| 525 | M | 82.5 | Confident | 85.8 | Confident | 87 Ų | 87 | 51.2 Ų | 51.2 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.7 | -177.6 | -57.2 | -69.2 | -86.3 | 0 | 0 | 109.4 | E522 Q548 | E522-M525 PolarHBondContact N-O 2.58Å; E522-M525 PolarHBondContact O-N 2.98Å; M525-Q548 VanDerWaalsContact CE-NE2 3.29Å; M525-Q548 PolarHBondContact SD-NE2 3.18Å |
| 526 | V | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.4 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | P468 L487 F519 Y520 T521 L549 F565 | P468-V526 HydrophobicContact CB-CG2 3.86Å; P468-V526 HydrophobicContact CG-CG2 3.66Å; L487-V526 HydrophobicContact CD1-CG1 3.73Å; F519-V526 HydrophobicContact CD1-CG1 4.18Å; Y520-V526 CarbonylContact O-C 3.54Å; Y520-V526 VanDerWaalsContact O-CA 3.28Å; Y520-V526 WeakPolarHBondContact O-CA 2.94Å; T521-V526 HydrophobicContact CG2-CG2 4.26Å; V526-L549 HydrophobicContact CG1-CB 4.4Å; V526-L549 HydrophobicContact CG1-CD1 4.4Å; V526-L549 PolarHBondContact O-N 3.04Å; V526-F565 HydrophobicContact CB-CE2 4.24Å; V526-F565 HydrophobicContact CB-CZ 3.76Å; V526-F565 HydrophobicContact CG1-CE2 4.01Å; V526-F565 HydrophobicContact CG1-CZ 4.02Å; V526-F565 HydrophobicContact CG2-CE2 4.17Å; V526-F565 HydrophobicContact CG2-CZ 3.77Å |
| 527 | E | 91.5 | Very high | 86 | Confident | 74 Ų | 74 | 48.5 Ų | 48.5 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 148.6 | 172.3 | -50.1 | -169.6 | 107.2 | 0 | 0 | 110.7 | F519 Y520 R546 I547 | F519-E527 CarbonylContact C-O 3.49Å; F519-E527 WeakPolarHBondContact CA-O 3.41Å; Y520-E527 PolarHBondContact N-O 2.69Å; Y520-E527 PolarHBondContact O-N 2.72Å; E527-R546 HydrophobicContact CB-CG 3.86Å; E527-R546 VanDerWaalsContact CD-CD 3.42Å; E527-R546 WeakPolarHBondContact OE2-CD 3.33Å; E527-R546 IonicContact OE2-CZ 2.75Å; E527-R546 IonicContact OE2-NE 3.9Å; E527-R546 IonicContact OE2-NH1 3.16Å; E527-R546 PolarHBondContact OE2-NH1 3.12Å; E527-I547 CarbonylContact C-O 3.57Å; E527-I547 WeakPolarHBondContact CA-O 3.46Å |
| 528 | F | 92.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.4 | -179.6 | 174.9 | -92.3 | 0 | 0 | 0 | 110.1 | C517 F519 C536 V538 V543 R546 I547 L549 V555 L557 | C517-F528 HydrophobicContact CB-CE2 3.66Å; C517-F528 HydrophobicContact CB-CZ 3.7Å; C517-F528 VanDerWaalsContact SG-CE2 3.59Å; F519-F528 HydrophobicContact CD1-CD2 4.01Å; F519-F528 HydrophobicContact CD2-CD2 4.19Å; F519-F528 HydrophobicContact CD2-CE2 4.5Å; F519-F528 AromaticContact CE1-CD2 3.62Å; F519-F528 HydrophobicContact CE1-CD2 3.62Å; F519-F528 HydrophobicContact CE1-CE2 4.22Å; F519-F528 AromaticContact CE2-CD2 3.77Å; F519-F528 HydrophobicContact CE2-CD2 3.77Å; F519-F528 AromaticContact CE2-CE2 3.76Å; F519-F528 HydrophobicContact CE2-CE2 3.76Å; F519-F528 HydrophobicContact CG-CD2 4.29Å; F519-F528 AromaticContact CZ-CD2 3.47Å; F519-F528 HydrophobicContact CZ-CD2 3.47Å; F519-F528 VanDerWaalsContact CZ-CD2 3.47Å; F519-F528 AromaticContact CZ-CE2 3.6Å; F519-F528 HydrophobicContact CZ-CE2 3.6Å; F528-C536 HydrophobicContact CE1-CB 3.88Å; F528-C536 HydrophobicContact CZ-CB 3.81Å; F528-V538 HydrophobicContact CD1-CG2 4.05Å; F528-V538 HydrophobicContact CE1-CG2 4.05Å; F528-V543 HydrophobicContact CD1-CG1 4.28Å; F528-V543 HydrophobicContact CD1-CG2 4.24Å; F528-V543 HydrophobicContact CE1-CB 4.35Å; F528-V543 HydrophobicContact CE1-CG1 4.24Å; F528-V543 HydrophobicContact CE1-CG2 3.94Å; F528-R546 CarbonylContact O-C 3.55Å; F528-R546 VanDerWaalsContact O-CA 3.3Å; F528-R546 WeakPolarHBondContact O-CA 3.41Å; F528-I547 HydrophobicContact CB-CG1 4.31Å; F528-I547 HydrophobicContact CD1-CD1 4.39Å; F528-I547 HydrophobicContact CD1-CG1 4.21Å; F528-I547 PolarHBondContact N-O 3.33Å; F528-I547 PolarHBondContact O-N 3.22Å; F528-L549 HydrophobicContact CB-CD1 3.76Å; F528-L549 HydrophobicContact CB-CD2 4.23Å; F528-L549 HydrophobicContact CB-CG 3.74Å; F528-L549 HydrophobicContact CD2-CD1 4.34Å; F528-L549 HydrophobicContact CG-CD1 4.32Å; F528-V555 HydrophobicContact CE2-CG1 4.03Å; F528-V555 HydrophobicContact CZ-CG1 4.19Å; F528-L557 HydrophobicContact CE2-CD2 4.2Å; F528-L557 HydrophobicContact CZ-CD2 3.9Å |
| 529 | E | 90.3 | Very high | 85.7 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.6 | -178.1 | -167 | 165.1 | -175.2 | 0 | 0 | 109.6 | C517 I518 Y520 R546 | C517-E529 CarbonylContact C-O 3.51Å; C517-E529 VanDerWaalsContact CA-O 3.29Å; C517-E529 WeakPolarHBondContact CA-O 3.47Å; C517-E529 WeakPolarHBondContact CB-O 3.28Å; I518-E529 PolarHBondContact N-O 3.12Å; I518-E529 PolarHBondContact O-N 3.36Å; Y520-E529 HydrophobicContact CE2-CB 3.92Å; Y520-E529 WeakPolarHBondContact CE2-OE2 3.4Å; Y520-E529 PolarHBondContact OH-OE2 2.81Å; E529-R546 HydrophobicContact CB-CB 4.33Å; E529-R546 HydrophobicContact CB-CG 4.28Å; E529-R546 HydrophobicContact CG-CB 4.27Å; E529-R546 IonicContact OE2-CZ 3.22Å; E529-R546 IonicContact OE2-NE 3.57Å; E529-R546 PolarHBondContact OE2-NE 2.83Å; E529-R546 IonicContact OE2-NH2 3.86Å; E529-R546 PolarHBondContact OE2-NH2 3.28Å |
| 530 | Q | 90.4 | Very high | 85.2 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 155.3 | 173.1 | 76.6 | -170.3 | 15.2 | 0 | 0 | 110.7 | C536 V543 | Q530-C536 HydrophobicContact CB-CB 3.91Å; Q530-V543 VanDerWaalsContact CD-O 3.28Å; Q530-V543 PolarHBondContact NE2-O 3.49Å; Q530-V543 PolarHBondContact OE1-O 3.04Å |
| 531 | L | 85 | Confident | 84.9 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 169 | 173.8 | -67.4 | 170 | 0 | 0 | 0 | 111.6 | E515 H516 I518 N533 A534 | E515-L531 HydrophobicContact CB-CD1 3.4Å; H516-L531 PolarHBondContact O-N 3.4Å; I518-L531 HydrophobicContact CD1-CD1 4.19Å; I518-L531 HydrophobicContact CD1-CD2 4.01Å; I518-L531 HydrophobicContact CD1-CG 4.44Å; I518-L531 HydrophobicContact CG1-CD1 3.96Å; I518-L531 HydrophobicContact CG1-CD2 4.37Å; I518-L531 HydrophobicContact CG1-CG 4.28Å; L531-N533 PolarHBondContact O-N 3.13Å; L531-A534 WeakPolarHBondContact O-CB 3.36Å; L531-A534 PolarHBondContact O-N 3.03Å |
| 532 | D | 74.9 | Confident | 84.9 | Confident | 150 Ų | 150 | 55.4 Ų | 55.4 | 80% | 0.802 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 126 | -169 | -76.5 | -36.8 | 0 | 0 | 0 | 112.9 | A534 | D532-A534 PolarHBondContact O-N 3.26Š|
| 533 | N | 75.4 | Confident | 85.2 | Confident | 147 Ų | 147 | 48.6 Ų | 48.6 | 79% | 0.786 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 4.8 | -175.1 | -48.1 | -69.8 | 0 | 0 | 0 | 116.5 | H513 L531 E535 | H513-N533 PolarHBondContact CE1-O 2.96Å; H513-N533 VanDerWaalsContact CE1-O 3.25Å; H513-N533 PolarHBondContact NE2-O 2.93Å; L531-N533 PolarHBondContact O-N 3.13Å; N533-E535 PolarHBondContact O-N 3.05Å |
| 534 | A | 82.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | trans | -83.7 | 110.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H516 L531 D532 C536 | H516-A534 HydrophobicContact CB-CB 4.47Å; H516-A534 WeakPolarHBondContact O-CB 3.45Å; L531-A534 WeakPolarHBondContact O-CB 3.36Å; L531-A534 PolarHBondContact O-N 3.03Å; D532-A534 PolarHBondContact O-N 3.26Å; A534-C536 PolarHBondContact O-N 3.03Å; A534-C536 VanDerWaalsContact O-N 3.1Å | ||
| 535 | E | 85.3 | Confident | 86.2 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | trans | -66.7 | 109.9 | 175.3 | -71.9 | -169.9 | -127 | 0 | 0 | 111.7 | H516 N533 Y537 G558 K559 | H516-E535 PolarHBondContact NE2-O 3.08Å; N533-E535 PolarHBondContact O-N 3.05Å; E535-Y537 HydrophobicContact CB-CE2 4.33Å; E535-Y537 PolarHBondContact OE2-OH 2.66Å; E535-G558 PolarHBondContact O-N 3.26Å; E535-K559 IonicContact OE1-NZ 3.36Å; E535-K559 PolarHBondContact OE1-NZ 2.73Å; E535-K559 WeakPolarHBondContact OE2-CE 3.33Å; E535-K559 IonicContact OE2-NZ 2.66Å; E535-K559 PolarHBondContact OE2-NZ 2.69Å | ||
| 536 | C | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.8 | 178.6 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | H516 F528 Q530 A534 V543 L557 | H516-C536 PolarHBondContact NE2-SG 3.5Å; F528-C536 HydrophobicContact CE1-CB 3.88Å; F528-C536 HydrophobicContact CZ-CB 3.81Å; Q530-C536 HydrophobicContact CB-CB 3.91Å; A534-C536 PolarHBondContact O-N 3.03Å; A534-C536 VanDerWaalsContact O-N 3.1Å; C536-V543 HydrophobicContact CB-CB 4.47Å; C536-V543 PolarHBondContact O-N 2.82Å; C536-L557 HydrophobicContact CB-CD2 4.27Å |
| 537 | Y | 90.8 | Very high | 86.6 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.5 | 176.2 | -55.5 | -99.1 | 0 | 0 | 0 | 110.6 | E535 S541 L542 V555 I556 L598 | E535-Y537 HydrophobicContact CB-CE2 4.33Å; E535-Y537 PolarHBondContact OE2-OH 2.66Å; Y537-S541 CarbonylContact C-O 2.53Å; Y537-S541 WeakPolarHBondContact CA-O 3.3Å; Y537-L542 HydrophobicContact CD1-CB 3.94Å; Y537-L542 HydrophobicContact CD1-CD1 4.05Å; Y537-L542 HydrophobicContact CE1-CB 3.91Å; Y537-L542 HydrophobicContact CE1-CD1 3.74Å; Y537-L542 HydrophobicContact CE1-CG 4.4Å; Y537-L542 HydrophobicContact CE2-CD1 4.35Å; Y537-L542 HydrophobicContact CG-CD1 4.49Å; Y537-V555 CarbonylContact O-C 3.4Å; Y537-V555 WeakPolarHBondContact O-CA 3.44Å; Y537-I556 PolarHBondContact N-O 2.77Å; Y537-I556 PolarHBondContact O-N 3.31Å; Y537-L598 HydrophobicContact CD1-CD1 3.37Å; Y537-L598 HydrophobicContact CD2-CD1 4.26Å; Y537-L598 HydrophobicContact CE1-CD1 3.72Å; Y537-L598 HydrophobicContact CG-CD1 3.66Å |
| 538 | V | 91.4 | Very high | 86.5 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124 | 172.4 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | F528 G540 S541 V543 I547 L549 A553 R554 V555 | F528-V538 HydrophobicContact CD1-CG2 4.05Å; F528-V538 HydrophobicContact CE1-CG2 4.05Å; V538-G540 VanDerWaalsContact C-N 3.29Å; V538-G540 PolarHBondContact O-N 3.33Å; V538-S541 PolarHBondContact N-O 2.84Å; V538-S541 PolarHBondContact O-N 2.71Å; V538-S541 VanDerWaalsContact O-N 3.08Å; V538-V543 HydrophobicContact CB-CG2 4.01Å; V538-V543 HydrophobicContact CG2-CG2 3.74Å; V538-I547 HydrophobicContact CB-CD1 3.77Å; V538-I547 HydrophobicContact CG1-CD1 3.99Å; V538-I547 HydrophobicContact CG2-CD1 3.89Å; V538-L549 HydrophobicContact CG1-CD2 3.76Å; V538-L549 HydrophobicContact CG2-CD2 4.23Å; V538-A553 HydrophobicContact CG1-CB 4.44Å; V538-R554 CarbonylContact C-O 3.57Å; V538-R554 VanDerWaalsContact CA-O 3.31Å; V538-R554 WeakPolarHBondContact CA-O 3.19Å; V538-V555 HydrophobicContact CG2-CG1 4.24Å; V538-V555 HydrophobicContact CG2-CG2 4.23Å |
| 539 | N | 88.6 | Confident | 86.4 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 47.2 | -173.7 | -59.1 | -43.9 | 0 | 0 | 0 | 112.5 | S541 A553 R554 E597 K601 | N539-S541 PolarHBondContact O-N 2.69Å; N539-A553 WeakPolarHBondContact OD1-CA 3.48Å; N539-R554 VanDerWaalsContact CG-NH2 3.34Å; N539-R554 PolarHBondContact N-O 3.16Å; N539-R554 PolarHBondContact OD1-N 3.4Å; N539-R554 PolarHBondContact OD1-NE 3Å; N539-R554 PolarHBondContact OD1-NH2 2.86Å; N539-E597 WeakPolarHBondContact CA-OE2 3.32Å; N539-K601 VanDerWaalsContact O-CD 3.27Å; N539-K601 WeakPolarHBondContact O-CD 2.97Å; N539-K601 WeakPolarHBondContact O-CE 3.49Å; N539-K601 PolarHBondContact O-NZ 3.49Å |
| 540 | G | 82.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -7.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | V538 K601 Q602 | V538-G540 VanDerWaalsContact C-N 3.29Å; V538-G540 PolarHBondContact O-N 3.33Å; G540-K601 WeakPolarHBondContact O-CB 3.39Å; G540-Q602 PolarHBondContact O-NE2 2.72Å |
| 541 | S | 85.8 | Confident | 86 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.1 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | Y537 V538 N539 V543 K601 | Y537-S541 CarbonylContact C-O 2.53Å; Y537-S541 WeakPolarHBondContact CA-O 3.3Å; V538-S541 PolarHBondContact N-O 2.84Å; V538-S541 PolarHBondContact O-N 2.71Å; V538-S541 VanDerWaalsContact O-N 3.08Å; N539-S541 PolarHBondContact O-N 2.69Å; S541-V543 PolarHBondContact O-N 2.78Å; S541-K601 PolarHBondContact OG-NZ 2.79Å |
| 542 | L | 87.2 | Confident | 85.9 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 45% | 0.45 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 132 | 173.5 | -177.4 | 70.6 | 0 | 0 | 0 | 109.9 | Y537 | Y537-L542 HydrophobicContact CD1-CB 3.94Å; Y537-L542 HydrophobicContact CD1-CD1 4.05Å; Y537-L542 HydrophobicContact CE1-CB 3.91Å; Y537-L542 HydrophobicContact CE1-CD1 3.74Å; Y537-L542 HydrophobicContact CE1-CG 4.4Å; Y537-L542 HydrophobicContact CE2-CD1 4.35Å; Y537-L542 HydrophobicContact CG-CD1 4.49Å |
| 543 | V | 87.2 | Confident | 86.5 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -79 | 145.8 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | F528 Q530 C536 V538 S541 K545 I547 | F528-V543 HydrophobicContact CD1-CG1 4.28Å; F528-V543 HydrophobicContact CD1-CG2 4.24Å; F528-V543 HydrophobicContact CE1-CB 4.35Å; F528-V543 HydrophobicContact CE1-CG1 4.24Å; F528-V543 HydrophobicContact CE1-CG2 3.94Å; Q530-V543 VanDerWaalsContact CD-O 3.28Å; Q530-V543 PolarHBondContact NE2-O 3.49Å; Q530-V543 PolarHBondContact OE1-O 3.04Å; C536-V543 HydrophobicContact CB-CB 4.47Å; C536-V543 PolarHBondContact O-N 2.82Å; V538-V543 HydrophobicContact CB-CG2 4.01Å; V538-V543 HydrophobicContact CG2-CG2 3.74Å; S541-V543 PolarHBondContact O-N 2.78Å; V543-K545 WeakPolarHBondContact CG1-O 3.2Å; V543-I547 HydrophobicContact CG1-CD1 4.32Å; V543-I547 HydrophobicContact CG1-CG1 4.34Å; V543-I547 HydrophobicContact CG2-CD1 3.74Å |
| 544 | T | 82.6 | Confident | 87.3 | Confident | 108 Ų | 108 | 47.4 Ų | 47.4 | 66% | 0.663 | 24% | 0.244 | S | C | * | . | trans | -142.6 | -6.6 | 178.7 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 545 | K | 84.7 | Confident | 87.8 | Confident | 166 Ų | 166 | 47.2 Ų | 47.2 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -153.1 | 163 | -179.1 | -61.8 | -174.6 | -178.2 | 179.6 | 0 | 107.5 | V543 I547 | V543-K545 WeakPolarHBondContact CG1-O 3.2Å; K545-I547 PolarHBondContact O-N 3.41Å |
| 546 | R | 88.1 | Confident | 88.1 | Confident | 98 Ų | 98 | 44.1 Ų | 44.1 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | trans | -55.5 | 135.6 | 169.8 | -172 | -175.2 | -70.2 | -155.1 | -3.6 | 111 | Y520 E527 F528 E529 | Y520-R546 VanDerWaalsContact CE1-NH2 3.3Å; Y520-R546 VanDerWaalsContact CE2-NH2 3.31Å; Y520-R546 PolarHBondContact OH-NH2 2.81Å; E527-R546 HydrophobicContact CB-CG 3.86Å; E527-R546 VanDerWaalsContact CD-CD 3.42Å; E527-R546 WeakPolarHBondContact OE2-CD 3.33Å; E527-R546 IonicContact OE2-CZ 2.75Å; E527-R546 IonicContact OE2-NE 3.9Å; E527-R546 IonicContact OE2-NH1 3.16Å; E527-R546 PolarHBondContact OE2-NH1 3.12Å; F528-R546 CarbonylContact O-C 3.55Å; F528-R546 VanDerWaalsContact O-CA 3.3Å; F528-R546 WeakPolarHBondContact O-CA 3.41Å; E529-R546 HydrophobicContact CB-CB 4.33Å; E529-R546 HydrophobicContact CB-CG 4.28Å; E529-R546 HydrophobicContact CG-CB 4.27Å; E529-R546 IonicContact OE2-CZ 3.22Å; E529-R546 IonicContact OE2-NE 3.57Å; E529-R546 PolarHBondContact OE2-NE 2.83Å; E529-R546 IonicContact OE2-NH2 3.86Å; E529-R546 PolarHBondContact OE2-NH2 3.28Å | ||
| 547 | I | 91.2 | Very high | 88.1 | Confident | 62 Ų | 62 | 44.1 Ų | 44.1 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.2 | 179.8 | 54.3 | 168.8 | 0 | 0 | 0 | 112 | E527 F528 V538 V543 K545 | E527-I547 CarbonylContact C-O 3.57Å; E527-I547 WeakPolarHBondContact CA-O 3.46Å; F528-I547 HydrophobicContact CB-CG1 4.31Å; F528-I547 HydrophobicContact CD1-CD1 4.39Å; F528-I547 HydrophobicContact CD1-CG1 4.21Å; F528-I547 PolarHBondContact N-O 3.33Å; F528-I547 PolarHBondContact O-N 3.22Å; V538-I547 HydrophobicContact CB-CD1 3.77Å; V538-I547 HydrophobicContact CG1-CD1 3.99Å; V538-I547 HydrophobicContact CG2-CD1 3.89Å; V543-I547 HydrophobicContact CG1-CD1 4.32Å; V543-I547 HydrophobicContact CG1-CG1 4.34Å; V543-I547 HydrophobicContact CG2-CD1 3.74Å; K545-I547 PolarHBondContact O-N 3.41Å |
| 548 | Q | 90.7 | Very high | 87.5 | Confident | 81 Ų | 81 | 43.2 Ų | 43.2 | 38% | 0.379 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.1 | 177.5 | -172.9 | -171.2 | -5.7 | 0 | 0 | 111.6 | M525 H550 | M525-Q548 VanDerWaalsContact CE-NE2 3.29Å; M525-Q548 PolarHBondContact SD-NE2 3.18Å; Q548-H550 PolarHBondContact O-ND1 3.33Å |
| 549 | L | 89.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 142 | 174.8 | -68.5 | -177.8 | 0 | 0 | 0 | 112 | F519 V526 F528 V538 A553 V555 F565 | F519-L549 HydrophobicContact CD1-CD1 3.78Å; F519-L549 HydrophobicContact CE1-CD1 3.42Å; F519-L549 VanDerWaalsContact CE1-CD1 3.42Å; V526-L549 HydrophobicContact CG1-CB 4.4Å; V526-L549 HydrophobicContact CG1-CD1 4.4Å; V526-L549 PolarHBondContact O-N 3.04Å; F528-L549 HydrophobicContact CB-CD1 3.76Å; F528-L549 HydrophobicContact CB-CD2 4.23Å; F528-L549 HydrophobicContact CB-CG 3.74Å; F528-L549 HydrophobicContact CD2-CD1 4.34Å; F528-L549 HydrophobicContact CG-CD1 4.32Å; V538-L549 HydrophobicContact CG1-CD2 3.76Å; V538-L549 HydrophobicContact CG2-CD2 4.23Å; L549-A553 HydrophobicContact CD2-CB 4.22Å; L549-V555 HydrophobicContact CD1-CG2 4.38Å; L549-V555 HydrophobicContact CD2-CG2 4.33Å; L549-F565 HydrophobicContact CB-CD1 3.76Å; L549-F565 HydrophobicContact CB-CE1 3.72Å; L549-F565 HydrophobicContact CB-CG 4.28Å; L549-F565 HydrophobicContact CB-CZ 4.22Å; L549-F565 HydrophobicContact CD1-CD1 4.48Å; L549-F565 HydrophobicContact CD1-CD2 4.28Å; L549-F565 HydrophobicContact CD1-CG 4.18Å |
| 550 | H | 86.9 | Confident | 86.3 | Confident | 96 Ų | 96 | 48.8 Ų | 48.8 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | trans | -125.7 | 141.4 | -178.2 | -70.9 | 72.2 | 0 | 0 | 0 | 109.2 | Q548 G552 A553 F565 | Q548-H550 PolarHBondContact O-ND1 3.33Å; H550-G552 PolarHBondContact O-N 3.47Å; H550-A553 VanDerWaalsContact O-CB 3.29Å; H550-A553 WeakPolarHBondContact O-CB 3.36Å; H550-A553 PolarHBondContact O-N 3.36Å; H550-F565 WeakPolarHBondContact O-CD1 3.22Å | ||
| 551 | T | 85.3 | Confident | 86.5 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 124.7 | -178.4 | -164.6 | 0 | 0 | 0 | 0 | 112 | N566 H567 Q570 S571 K574 | T551-N566 PolarHBondContact OG1-OD1 2.77Å; T551-H567 PolarHBondContact OG1-N 2.83Å; T551-H567 VanDerWaalsContact OG1-N 3.09Å; T551-Q570 HydrophobicContact CG2-CB 3.78Å; T551-S571 PolarHBondContact OG1-OG 2.95Å; T551-K574 HydrophobicContact CG2-CD 4.2Å |
| 552 | G | 83 | Confident | 86.8 | Confident | 30 Ų | 30 | 48 Ų | 48 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -9.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H550 F565 | H550-G552 PolarHBondContact O-N 3.47Å; G552-F565 PolarHBondContact N-O 2.85Å |
| 553 | A | 89 | Confident | 87.1 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | trans | -64.3 | 137.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V538 N539 L549 H550 R564 F565 | V538-A553 HydrophobicContact CG1-CB 4.44Å; N539-A553 WeakPolarHBondContact OD1-CA 3.48Å; L549-A553 HydrophobicContact CD2-CB 4.22Å; H550-A553 VanDerWaalsContact O-CB 3.29Å; H550-A553 WeakPolarHBondContact O-CB 3.36Å; H550-A553 PolarHBondContact O-N 3.36Å; A553-R564 CarbonylContact O-C 3.56Å; A553-R564 WeakPolarHBondContact O-CA 3.37Å; A553-F565 PolarHBondContact O-N 2.76Å | ||
| 554 | R | 91.3 | Very high | 87.3 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.3 | 174.9 | -63 | 128.1 | -62.2 | -165.5 | 22.4 | 109.1 | V538 N539 F563 I589 A594 E597 | V538-R554 CarbonylContact C-O 3.57Å; V538-R554 VanDerWaalsContact CA-O 3.31Å; V538-R554 WeakPolarHBondContact CA-O 3.19Å; N539-R554 VanDerWaalsContact CG-NH2 3.34Å; N539-R554 PolarHBondContact N-O 3.16Å; N539-R554 PolarHBondContact OD1-N 3.4Å; N539-R554 PolarHBondContact OD1-NE 3Å; N539-R554 PolarHBondContact OD1-NH2 2.86Å; R554-F563 CarbonylContact C-O 3.55Å; R554-F563 WeakPolarHBondContact CA-O 3.4Å; R554-I589 HydrophobicContact CG-CG2 3.89Å; R554-A594 HydrophobicContact CB-CB 4.38Å; R554-A594 HydrophobicContact CG-CB 4.18Å; R554-E597 VanDerWaalsContact CZ-CD 3.48Å; R554-E597 IonicContact CZ-OE1 3.25Å; R554-E597 VanDerWaalsContact CZ-OE1 3.23Å; R554-E597 IonicContact CZ-OE2 2.73Å; R554-E597 IonicContact NE-OE2 3.84Å; R554-E597 PolarHBondContact NE-OE2 3.45Å; R554-E597 IonicContact NH1-OE1 2.74Å; R554-E597 IonicContact NH1-OE2 2.76Å; R554-E597 IonicContact NH2-OE1 2.79Å; R554-E597 PolarHBondContact NH2-OE1 2.98Å; R554-E597 IonicContact NH2-OE2 2.78Å; R554-E597 PolarHBondContact NH2-OE2 3.39Å |
| 555 | V | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.5 | -176.7 | -174.7 | 0 | 0 | 0 | 0 | 108 | F528 Y537 V538 L549 L557 F563 F565 | F528-V555 HydrophobicContact CE2-CG1 4.03Å; F528-V555 HydrophobicContact CZ-CG1 4.19Å; Y537-V555 CarbonylContact O-C 3.4Å; Y537-V555 WeakPolarHBondContact O-CA 3.44Å; V538-V555 HydrophobicContact CG2-CG1 4.24Å; V538-V555 HydrophobicContact CG2-CG2 4.23Å; L549-V555 HydrophobicContact CD1-CG2 4.38Å; L549-V555 HydrophobicContact CD2-CG2 4.33Å; V555-L557 HydrophobicContact CG1-CD2 3.87Å; V555-L557 HydrophobicContact CG1-CG 4.29Å; V555-F563 HydrophobicContact CB-CB 4.45Å; V555-F563 PolarHBondContact N-O 3.27Å; V555-F563 PolarHBondContact O-N 2.99Å; V555-F565 HydrophobicContact CG2-CB 4.45Å |
| 556 | I | 91.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.7 | -179.5 | -52.2 | 175.5 | 0 | 0 | 0 | 108.7 | Y537 H561 V562 L598 | Y537-I556 PolarHBondContact N-O 2.77Å; Y537-I556 PolarHBondContact O-N 3.31Å; I556-H561 CarbonylContact C-O 3.57Å; I556-H561 VanDerWaalsContact CA-O 3.31Å; I556-H561 WeakPolarHBondContact CA-O 3.23Å; I556-V562 HydrophobicContact CG1-CG1 4.24Å; I556-V562 HydrophobicContact CG1-CG2 4.36Å; I556-V562 HydrophobicContact CG2-CG2 4.34Å; I556-L598 HydrophobicContact CD1-CB 4.12Å; I556-L598 HydrophobicContact CD1-CD2 3.92Å; I556-L598 HydrophobicContact CD1-CG 4.47Å |
| 557 | L | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.5 | -177 | -53.4 | -177.8 | 0 | 0 | 0 | 109.7 | V494 L507 I512 H516 F528 C536 V555 K559 H561 F563 | V494-L557 HydrophobicContact CG1-CD1 4.01Å; L507-L557 HydrophobicContact CD1-CD1 3.97Å; I512-L557 HydrophobicContact CD1-CB 4.02Å; H516-L557 VanDerWaalsContact NE2-CA 3.34Å; H516-L557 WeakPolarHBondContact NE2-CA 3.42Å; F528-L557 HydrophobicContact CE2-CD2 4.2Å; F528-L557 HydrophobicContact CZ-CD2 3.9Å; C536-L557 HydrophobicContact CB-CD2 4.27Å; V555-L557 HydrophobicContact CG1-CD2 3.87Å; V555-L557 HydrophobicContact CG1-CG 4.29Å; L557-K559 PolarHBondContact O-N 2.98Å; L557-K559 VanDerWaalsContact O-N 3.12Å; L557-H561 HydrophobicContact CB-CB 4.3Å; L557-H561 PolarHBondContact N-O 2.63Å; L557-H561 WeakPolarHBondContact O-CB 3.35Å; L557-H561 PolarHBondContact O-N 2.83Å; L557-H561 VanDerWaalsContact O-N 3.16Å; L557-F563 HydrophobicContact CD1-CD2 4.34Å; L557-F563 HydrophobicContact CD1-CE2 4.04Å; L557-F563 HydrophobicContact CG-CD2 4.48Å; L557-F563 HydrophobicContact CG-CE2 4.43Å |
| 558 | G | 77.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 28.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L511 H516 E535 S560 | L511-G558 VanDerWaalsContact CB-O 3.25Å; L511-G558 WeakPolarHBondContact CB-O 3.23Å; L511-G558 WeakPolarHBondContact CD1-O 3.42Å; L511-G558 WeakPolarHBondContact O-CA 3.49Å; H516-G558 VanDerWaalsContact CE1-CA 3.5Å; H516-G558 WeakPolarHBondContact CE1-CA 3.04Å; H516-G558 PolarHBondContact NE2-N 2.79Å; E535-G558 PolarHBondContact O-N 3.26Å; G558-S560 PolarHBondContact O-N 2.87Å |
| 559 | K | 76.4 | Confident | 86 | Confident | 103 Ų | 103 | 27.2 Ų | 27.2 | 45% | 0.448 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -25 | -177.7 | -59.5 | 176.5 | 178.8 | 139.5 | 0 | 116.9 | L511 E535 L557 | L511-K559 HydrophobicContact CD1-CB 4.05Å; L511-K559 HydrophobicContact CD1-CD 3.9Å; L511-K559 HydrophobicContact CD1-CG 4.18Å; E535-K559 IonicContact OE1-NZ 3.36Å; E535-K559 PolarHBondContact OE1-NZ 2.73Å; E535-K559 WeakPolarHBondContact OE2-CE 3.33Å; E535-K559 IonicContact OE2-NZ 2.66Å; E535-K559 PolarHBondContact OE2-NZ 2.69Å; L557-K559 PolarHBondContact O-N 2.98Å; L557-K559 VanDerWaalsContact O-N 3.12Å |
| 560 | S | 77.8 | Confident | 85.3 | Confident | 71 Ų | 71 | 28.2 Ų | 28.2 | 50% | 0.497 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -23 | -177.9 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | G558 | G558-S560 PolarHBondContact O-N 2.87Š|
| 561 | H | 88.4 | Confident | 84.3 | Confident | 35 Ų | 35 | 25.3 Ų | 25.3 | 16% | 0.162 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.8 | -175.9 | -67.6 | -85.6 | 0 | 0 | 0 | 110.9 | L507 S508 I556 L557 F563 | L507-H561 HydrophobicContact CD1-CB 4.32Å; S508-H561 PolarHBondContact O-CE1 3.21Å; S508-H561 PolarHBondContact O-NE2 2.94Å; I556-H561 CarbonylContact C-O 3.57Å; I556-H561 VanDerWaalsContact CA-O 3.31Å; I556-H561 WeakPolarHBondContact CA-O 3.23Å; L557-H561 HydrophobicContact CB-CB 4.3Å; L557-H561 PolarHBondContact N-O 2.63Å; L557-H561 WeakPolarHBondContact O-CB 3.35Å; L557-H561 PolarHBondContact O-N 2.83Å; L557-H561 VanDerWaalsContact O-N 3.16Å; H561-F563 HydrophobicContact CB-CD2 4.49Å; H561-F563 HydrophobicContact CB-CE2 3.65Å; H561-F563 HydrophobicContact CB-CZ 4Å |
| 562 | V | 91.4 | Very high | 83.3 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.3 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | L473 I556 A594 I595 | L473-V562 HydrophobicContact CB-CB 4.31Å; L473-V562 HydrophobicContact CB-CG1 3.89Å; L473-V562 HydrophobicContact CD1-CG1 4.06Å; L473-V562 HydrophobicContact CG-CG1 4.43Å; L473-V562 PolarHBondContact N-O 3.37Å; I556-V562 HydrophobicContact CG1-CG1 4.24Å; I556-V562 HydrophobicContact CG1-CG2 4.36Å; I556-V562 HydrophobicContact CG2-CG2 4.34Å; V562-A594 HydrophobicContact CG1-CB 3.72Å; V562-I595 HydrophobicContact CG2-CD1 4.15Å |
| 563 | F | 92.9 | Very high | 82.4 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 157 | 179.8 | -58.1 | -73 | 0 | 0 | 0 | 112.3 | L470 V471 N472 Y485 L507 R554 V555 L557 H561 | L470-F563 HydrophobicContact CB-CB 4.28Å; L470-F563 HydrophobicContact CB-CD1 4.27Å; L470-F563 HydrophobicContact CB-CG 4.35Å; L470-F563 HydrophobicContact CD2-CB 4.28Å; V471-F563 CarbonylContact O-C 3.56Å; V471-F563 VanDerWaalsContact O-CA 3.24Å; V471-F563 WeakPolarHBondContact O-CA 3.25Å; N472-F563 HydrophobicContact CB-CD1 4.22Å; N472-F563 HydrophobicContact CB-CE1 4.23Å; Y485-F563 HydrophobicContact CD2-CE1 4.05Å; Y485-F563 AromaticContact CE2-CE1 3.76Å; Y485-F563 HydrophobicContact CE2-CE1 3.76Å; Y485-F563 HydrophobicContact CE2-CZ 4.36Å; L507-F563 HydrophobicContact CD1-CE2 3.95Å; L507-F563 HydrophobicContact CD1-CZ 4.06Å; L507-F563 HydrophobicContact CD2-CZ 3.95Å; R554-F563 CarbonylContact C-O 3.55Å; R554-F563 WeakPolarHBondContact CA-O 3.4Å; V555-F563 HydrophobicContact CB-CB 4.45Å; V555-F563 PolarHBondContact N-O 3.27Å; V555-F563 PolarHBondContact O-N 2.99Å; L557-F563 HydrophobicContact CD1-CD2 4.34Å; L557-F563 HydrophobicContact CD1-CE2 4.04Å; L557-F563 HydrophobicContact CG-CD2 4.48Å; L557-F563 HydrophobicContact CG-CE2 4.43Å; H561-F563 HydrophobicContact CB-CD2 4.49Å; H561-F563 HydrophobicContact CB-CE2 3.65Å; H561-F563 HydrophobicContact CB-CZ 4Å |
| 564 | R | 91.5 | Very high | 81 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 19% | 0.185 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.9 | 168.8 | -166.3 | 178.7 | 66.1 | -143.8 | -2 | 108.8 | V471 L473 E481 A553 I589 | V471-R564 PolarHBondContact N-O 3.17Å; V471-R564 PolarHBondContact O-N 2.9Å; L473-R564 HydrophobicContact CD1-CB 4.15Å; L473-R564 HydrophobicContact CD2-CB 4.32Å; L473-R564 HydrophobicContact CG-CB 4.22Å; E481-R564 IonicContact OE1-CZ 2.72Å; E481-R564 IonicContact OE1-NH1 3.14Å; E481-R564 PolarHBondContact OE1-NH1 2.83Å; E481-R564 IonicContact OE1-NH2 2.9Å; E481-R564 PolarHBondContact OE1-NH2 3.05Å; E481-R564 IonicContact OE2-NH2 3.29Å; A553-R564 CarbonylContact O-C 3.56Å; A553-R564 WeakPolarHBondContact O-CA 3.37Å; R564-I589 PolarHBondContact NH1-O 2.92Å |
| 565 | F | 91.4 | Very high | 79.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134.1 | 178.1 | 171.1 | -104.4 | 0 | 0 | 0 | 111.2 | P468 L470 L487 V526 L549 H550 G552 A553 V555 H567 | P468-F565 HydrophobicContact CB-CE2 3.75Å; P468-F565 HydrophobicContact CB-CZ 4.05Å; L470-F565 HydrophobicContact CD2-CB 4.06Å; L470-F565 HydrophobicContact CD2-CD2 4.22Å; L487-F565 HydrophobicContact CD1-CD2 4.27Å; L487-F565 HydrophobicContact CD1-CE2 3.78Å; V526-F565 HydrophobicContact CB-CE2 4.24Å; V526-F565 HydrophobicContact CB-CZ 3.76Å; V526-F565 HydrophobicContact CG1-CE2 4.01Å; V526-F565 HydrophobicContact CG1-CZ 4.02Å; V526-F565 HydrophobicContact CG2-CE2 4.17Å; V526-F565 HydrophobicContact CG2-CZ 3.77Å; L549-F565 HydrophobicContact CB-CD1 3.76Å; L549-F565 HydrophobicContact CB-CE1 3.72Å; L549-F565 HydrophobicContact CB-CG 4.28Å; L549-F565 HydrophobicContact CB-CZ 4.22Å; L549-F565 HydrophobicContact CD1-CD1 4.48Å; L549-F565 HydrophobicContact CD1-CD2 4.28Å; L549-F565 HydrophobicContact CD1-CG 4.18Å; H550-F565 WeakPolarHBondContact O-CD1 3.22Å; G552-F565 PolarHBondContact N-O 2.85Å; A553-F565 PolarHBondContact O-N 2.76Å; V555-F565 HydrophobicContact CG2-CB 4.45Å; F565-H567 HydrophobicContact CE1-CB 4.13Å; F565-H567 HydrophobicContact CZ-CB 3.97Å |
| 566 | N | 86.7 | Confident | 77.2 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.9 | 178.8 | -179.7 | 24.6 | 0 | 0 | 0 | 110.3 | H469 T551 S571 | H469-N566 PolarHBondContact CE1-ND2 2.85Å; H469-N566 PolarHBondContact N-O 2.89Å; H469-N566 PolarHBondContact NE2-ND2 2.67Å; H469-N566 PolarHBondContact O-N 3.23Å; T551-N566 PolarHBondContact OG1-OD1 2.77Å; N566-S571 PolarHBondContact OD1-OG 3.22Å; N566-S571 VanDerWaalsContact OD1-OG 3.04Å |
| 567 | H | 84.6 | Confident | 75 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | trans | -120.6 | 109.4 | 175 | -170.7 | -1.3 | 0 | 0 | 0 | 110 | S524 T551 F565 L569 Q570 S571 | S524-H567 WeakPolarHBondContact CA-NE2 2.85Å; S524-H567 PolarHBondContact O-CD2 3.07Å; S524-H567 PolarHBondContact O-NE2 2.95Å; T551-H567 PolarHBondContact OG1-N 2.83Å; T551-H567 VanDerWaalsContact OG1-N 3.09Å; F565-H567 HydrophobicContact CE1-CB 4.13Å; F565-H567 HydrophobicContact CZ-CB 3.97Å; H567-L569 PolarHBondContact O-N 2.97Å; H567-L569 VanDerWaalsContact O-N 3.11Å; H567-Q570 HydrophobicContact CB-CB 4.26Å; H567-Q570 HydrophobicContact CB-CG 4.19Å; H567-Q570 PolarHBondContact CD2-NE2 3.38Å; H567-Q570 PolarHBondContact O-N 3.5Å; H567-S571 WeakPolarHBondContact O-CB 3.45Å; H567-S571 PolarHBondContact O-N 3.22Å; H567-S571 PolarHBondContact O-OG 2.9Å; H567-S571 VanDerWaalsContact O-OG 3.1Å | ||
| 568 | P | 73.8 | Confident | 72.4 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.5 | -29.4 | -172.7 | -30.5 | 36.7 | 0 | 0 | 0 | 115.8 | K465 T467 R572 | K465-P568 WeakPolarHBondContact O-CB 3.22Å; T467-P568 WeakPolarHBondContact O-CD 3.15Å; T467-P568 VanDerWaalsContact O-CG 3.31Å; T467-P568 WeakPolarHBondContact O-CG 3.19Å; P568-R572 WeakPolarHBondContact O-CG 3.24Å; P568-R572 PolarHBondContact O-N 3.45Å |
| 569 | L | 74.5 | Confident | 70.3 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.277 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.3 | -54.5 | 178.9 | -58.6 | -177.8 | 0 | 0 | 0 | 111.1 | N466 H567 S571 R572 E573 | N466-L569 HydrophobicContact CB-CD2 4.21Å; H567-L569 PolarHBondContact O-N 2.97Å; H567-L569 VanDerWaalsContact O-N 3.11Å; L569-S571 PolarHBondContact O-N 2.95Å; L569-R572 WeakPolarHBondContact O-CA 3.14Å; L569-R572 WeakPolarHBondContact O-CB 3.17Å; L569-R572 PolarHBondContact O-N 3.23Å; L569-E573 PolarHBondContact O-N 2.91Å |
| 570 | Q | 74.6 | Confident | 68.4 | Low | 22 Ų | 22 | 72.6 Ų | 72.6 | 10% | 0.103 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.3 | -37.7 | 173.5 | -62.3 | 179.9 | 4.3 | 0 | 0 | 111.9 | S524 T551 H567 R572 E573 K574 | S524-Q570 PolarHBondContact O-NE2 3.08Å; T551-Q570 HydrophobicContact CG2-CB 3.78Å; H567-Q570 HydrophobicContact CB-CB 4.26Å; H567-Q570 HydrophobicContact CB-CG 4.19Å; H567-Q570 PolarHBondContact CD2-NE2 3.38Å; H567-Q570 PolarHBondContact O-N 3.5Å; Q570-R572 VanDerWaalsContact C-N 3.29Å; Q570-R572 PolarHBondContact O-N 3.28Å; Q570-E573 PolarHBondContact O-N 3.26Å; Q570-K574 WeakPolarHBondContact O-CB 3.46Å; Q570-K574 WeakPolarHBondContact O-CG 3.39Å; Q570-K574 PolarHBondContact O-N 2.84Å |
| 571 | S | 65.7 | Low | 66.1 | Low | 35 Ų | 35 | 77 Ų | 77 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.5 | -19.8 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 114 | T551 N566 H567 L569 | T551-S571 PolarHBondContact OG1-OG 2.95Å; N566-S571 PolarHBondContact OD1-OG 3.22Å; N566-S571 VanDerWaalsContact OD1-OG 3.04Å; H567-S571 WeakPolarHBondContact O-CB 3.45Å; H567-S571 PolarHBondContact O-N 3.22Å; H567-S571 PolarHBondContact O-OG 2.9Å; H567-S571 VanDerWaalsContact O-OG 3.1Å; L569-S571 PolarHBondContact O-N 2.95Å |
| 572 | R | 64.7 | Low | 63.2 | Low | 113 Ų | 113 | 81.1 Ų | 81.1 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -87.8 | -41.1 | 169.6 | -75.6 | 177.4 | -171.6 | 131 | 15.3 | 111.7 | K465 N466 P568 L569 Q570 K574 K575 N576 | K465-R572 VanDerWaalsContact O-CZ 3.24Å; K465-R572 PolarHBondContact O-NH1 3.28Å; K465-R572 PolarHBondContact O-NH2 3.47Å; N466-R572 PolarHBondContact OD1-NH1 2.81Å; P568-R572 WeakPolarHBondContact O-CG 3.24Å; P568-R572 PolarHBondContact O-N 3.45Å; L569-R572 WeakPolarHBondContact O-CA 3.14Å; L569-R572 WeakPolarHBondContact O-CB 3.17Å; L569-R572 PolarHBondContact O-N 3.23Å; Q570-R572 VanDerWaalsContact C-N 3.29Å; Q570-R572 PolarHBondContact O-N 3.28Å; R572-K574 PolarHBondContact O-N 2.9Å; R572-K575 CarbonylContact O-C 3.43Å; R572-K575 WeakPolarHBondContact O-CA 3.29Å; R572-K575 WeakPolarHBondContact O-CB 3.07Å; R572-K575 PolarHBondContact O-N 2.91Å; R572-N576 PolarHBondContact O-N 3.33Å |
| 573 | E | 63.7 | Low | 60.3 | Low | 114 Ų | 114 | 84.9 Ų | 84.9 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 177.3 | -69.9 | 168.5 | 166.8 | 0 | 0 | 111.2 | L569 Q570 K575 N576 L577 | L569-E573 PolarHBondContact O-N 2.91Å; Q570-E573 PolarHBondContact O-N 3.26Å; E573-K575 PolarHBondContact O-N 3.31Å; E573-K575 VanDerWaalsContact O-N 3.13Å; E573-N576 PolarHBondContact O-N 2.67Å; E573-L577 PolarHBondContact O-N 3.36Å |
| 574 | K | 58.4 | Low | 57.3 | Low | 134 Ų | 134 | 89.5 Ų | 89.5 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.4 | -19.7 | 171 | -77.6 | -175.8 | 176 | -179.9 | 0 | 114.6 | T551 Q570 R572 | T551-K574 HydrophobicContact CG2-CD 4.2Å; Q570-K574 WeakPolarHBondContact O-CB 3.46Å; Q570-K574 WeakPolarHBondContact O-CG 3.39Å; Q570-K574 PolarHBondContact O-N 2.84Å; R572-K574 PolarHBondContact O-N 2.9Å |
| 575 | K | 52.5 | Low | 54.4 | Low | 176 Ų | 176 | 93.9 Ų | 93.9 | 77% | 0.765 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -93.2 | -10.1 | 175.2 | -75.7 | -176.6 | 173.8 | -176.2 | 0 | 114 | R572 E573 | R572-K575 CarbonylContact O-C 3.43Å; R572-K575 WeakPolarHBondContact O-CA 3.29Å; R572-K575 WeakPolarHBondContact O-CB 3.07Å; R572-K575 PolarHBondContact O-N 2.91Å; E573-K575 PolarHBondContact O-N 3.31Å; E573-K575 VanDerWaalsContact O-N 3.13Å |
| 576 | N | 52.4 | Low | 52.1 | Low | 135 Ų | 135 | 99.9 Ų | 99.9 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -101.9 | -2 | 179.5 | -69.4 | -12.3 | 0 | 0 | 0 | 113.2 | R572 E573 | R572-N576 PolarHBondContact O-N 3.33Å; E573-N576 PolarHBondContact O-N 2.67Å |
| 577 | L | 44.3 | Very low | 50.3 | Low | 130 Ų | 130 | 104.1 Ų | 104.1 | 68% | 0.681 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -80.7 | 124.9 | 173.3 | -81.9 | 153.7 | 0 | 0 | 0 | 110.4 | E573 | E573-L577 PolarHBondContact O-N 3.36Š|
| 578 | P | 37 | Very low | 49.1 | Very low | 121 Ų | 121 | 109.2 Ų | 109.2 | 79% | 0.786 | 62% | 0.616 | S | S | * | * | trans | -73.2 | 150.3 | 176.7 | 30.6 | -34.1 | 0 | 0 | 0 | 111.9 | ||||
| 579 | A | 34.7 | Very low | 48.9 | Very low | 101 Ų | 101 | 111.2 Ų | 111.2 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | trans | -45.1 | 144.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 580 | D | 35.6 | Very low | 49.1 | Very low | 160 Ų | 160 | 111.2 Ų | 111.2 | 86% | 0.856 | 63% | 0.626 | S | S | * | * | trans | -147.7 | 175 | 141 | -141.3 | -29.8 | 0 | 0 | 0 | 111.6 | ||||
| 581 | M | 29 | Very low | 49.6 | Very low | 165 Ų | 165 | 112.7 Ų | 112.7 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | trans | -85.6 | 159.3 | -157.2 | -67.3 | -110 | -94.2 | 0 | 0 | 116.9 | ||||
| 582 | S | 28.9 | Very low | 50.5 | Low | 120 Ų | 120 | 115 Ų | 115 | 84% | 0.839 | 64% | 0.64 | S | S | * | * | trans | 92.1 | 168.2 | 157.3 | 84.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 583 | A | 28.6 | Very low | 51.5 | Low | 85 Ų | 85 | 113.6 Ų | 113.6 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | trans | 77 | 106.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 584 | S | 30.9 | Very low | 52.5 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | trans | 49.2 | 124.1 | 142.9 | 55.5 | 0 | 0 | 0 | 0 | 121.4 | T586 | S584-T586 PolarHBondContact O-N 3.34Š| ||
| 585 | V | 31.3 | Very low | 53.7 | Low | 140 Ų | 140 | 103.5 Ų | 103.5 | 85% | 0.848 | 59% | 0.591 | S | S | * | * | trans | -39 | 106.6 | 155.8 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | E587 | V585-E587 PolarHBondContact O-N 2.93Š| ||
| 586 | T | 43.3 | Very low | 55 | Low | 127 Ų | 127 | 98.4 Ų | 98.4 | 78% | 0.779 | 58% | 0.578 | S | S | * | * | trans | -82.1 | 107.7 | 170 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | S584 | S584-T586 PolarHBondContact O-N 3.34Š| ||
| 587 | E | 48 | Very low | 56.6 | Low | 138 Ų | 138 | 93.2 Ų | 93.2 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | trans | -55.2 | 149.4 | 165 | -65.8 | 176.3 | 147.4 | 0 | 0 | 110 | V585 I589 | V585-E587 PolarHBondContact O-N 2.93Å; E587-I589 PolarHBondContact O-N 2.77Å | ||
| 588 | P | 59.5 | Low | 58.4 | Low | 108 Ų | 108 | 88 Ų | 88 | 70% | 0.701 | 52% | 0.522 | S | S | * | . | trans | -59.5 | 130.1 | 178.8 | 25.7 | -34 | 0 | 0 | 0 | 109.9 | D590 | P588-D590 VanDerWaalsContact C-N 3.26Å; P588-D590 PolarHBondContact O-N 2.84Å | ||
| 589 | I | 68.9 | Low | 60.3 | Low | 56 Ų | 56 | 84.9 Ų | 84.9 | 29% | 0.287 | 50% | 0.498 | S | S | . | . | trans | -75.6 | 85.4 | 178.4 | -56.2 | 176.9 | 0 | 0 | 0 | 108.6 | R554 R564 E587 Y593 | R554-I589 HydrophobicContact CG-CG2 3.89Å; R564-I589 PolarHBondContact NH1-O 2.92Å; E587-I589 PolarHBondContact O-N 2.77Å; I589-Y593 HydrophobicContact CG2-CD1 4.26Å | ||
| 590 | D | 78.5 | Confident | 62.2 | Low | 53 Ų | 53 | 87.6 Ų | 87.6 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | trans | -99.2 | -172.3 | 176.5 | 77.3 | -20.9 | 0 | 0 | 0 | 111.3 | P588 N592 Y593 A594 | P588-D590 VanDerWaalsContact C-N 3.26Å; P588-D590 PolarHBondContact O-N 2.84Å; D590-N592 PolarHBondContact OD1-N 2.81Å; D590-N592 WeakPolarHBondContact OD2-CB 3.44Å; D590-N592 PolarHBondContact OD2-ND2 2.83Å; D590-Y593 WeakPolarHBondContact OD1-CB 3.45Å; D590-Y593 PolarHBondContact OD1-N 2.84Å; D590-A594 PolarHBondContact O-N 3.49Å | ||
| 591 | W | 86.4 | Confident | 64.2 | Low | 54 Ų | 54 | 84.8 Ų | 84.8 | 21% | 0.205 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 176 | -177.3 | 97.2 | 0 | 0 | 0 | 112.2 | L473 N474 E475 Y593 A594 I595 | L473-W591 HydrophobicContact CB-CB 4.29Å; N474-W591 WeakPolarHBondContact O-CB 3.38Å; E475-W591 HydrophobicContact CB-CD2 4.01Å; E475-W591 HydrophobicContact CB-CE3 4.15Å; E475-W591 HydrophobicContact CB-CH2 4.25Å; E475-W591 HydrophobicContact CB-CZ2 4.12Å; E475-W591 HydrophobicContact CB-CZ3 4.27Å; E475-W591 HydrophobicContact CG-CE3 4.16Å; E475-W591 HydrophobicContact CG-CH2 4.03Å; E475-W591 HydrophobicContact CG-CZ2 4.4Å; E475-W591 HydrophobicContact CG-CZ3 3.91Å; W591-Y593 VanDerWaalsContact C-N 3.34Å; W591-Y593 PolarHBondContact O-N 3.32Å; W591-A594 PolarHBondContact O-N 2.83Å; W591-A594 VanDerWaalsContact O-N 3.15Å; W591-I595 HydrophobicContact CD2-CG1 3.78Å; W591-I595 HydrophobicContact CE3-CG1 4.04Å; W591-I595 HydrophobicContact CG-CG1 4.39Å; W591-I595 HydrophobicContact CH2-CG1 4.09Å; W591-I595 HydrophobicContact CZ2-CD1 4.27Å; W591-I595 HydrophobicContact CZ2-CG1 3.81Å; W591-I595 HydrophobicContact CZ3-CG1 4.19Å; W591-I595 WeakPolarHBondContact O-CG1 3.28Å; W591-I595 PolarHBondContact O-N 3.14Å |
| 592 | N | 83.4 | Confident | 66.1 | Low | 83 Ų | 83 | 81.2 Ų | 81.2 | 44% | 0.444 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 179.3 | -62.1 | -71.2 | 0 | 0 | 0 | 111.9 | D590 S596 | D590-N592 PolarHBondContact OD1-N 2.81Å; D590-N592 WeakPolarHBondContact OD2-CB 3.44Å; D590-N592 PolarHBondContact OD2-ND2 2.83Å; N592-S596 VanDerWaalsContact O-CB 3.24Å; N592-S596 WeakPolarHBondContact O-CB 3.44Å; N592-S596 PolarHBondContact O-N 2.77Å; N592-S596 PolarHBondContact O-OG 2.7Å |
| 593 | Y | 86.2 | Confident | 67.4 | Low | 83 Ų | 83 | 78.7 Ų | 78.7 | 33% | 0.325 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 173.4 | -173.2 | -70.4 | 0 | 0 | 0 | 110.9 | I589 D590 W591 I595 S596 E597 | I589-Y593 HydrophobicContact CG2-CD1 4.26Å; D590-Y593 WeakPolarHBondContact OD1-CB 3.45Å; D590-Y593 PolarHBondContact OD1-N 2.84Å; W591-Y593 VanDerWaalsContact C-N 3.34Å; W591-Y593 PolarHBondContact O-N 3.32Å; Y593-I595 VanDerWaalsContact C-N 3.33Å; Y593-I595 PolarHBondContact O-N 2.75Å; Y593-S596 PolarHBondContact O-N 3.22Å; Y593-E597 HydrophobicContact CE1-CB 4.19Å; Y593-E597 PolarHBondContact O-N 2.75Å |
| 594 | A | 83.9 | Confident | 68.5 | Low | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L473 R554 V562 D590 W591 L598 | L473-A594 HydrophobicContact CD1-CB 4.09Å; R554-A594 HydrophobicContact CB-CB 4.38Å; R554-A594 HydrophobicContact CG-CB 4.18Å; V562-A594 HydrophobicContact CG1-CB 3.72Å; D590-A594 PolarHBondContact O-N 3.49Å; W591-A594 PolarHBondContact O-N 2.83Å; W591-A594 VanDerWaalsContact O-N 3.15Å; A594-L598 PolarHBondContact O-N 3.16Å |
| 595 | I | 83.8 | Confident | 69.4 | Low | 36 Ų | 36 | 77.6 Ų | 77.6 | 19% | 0.185 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 173.1 | -64.4 | -60 | 0 | 0 | 0 | 110.9 | V562 W591 Y593 E597 L598 L599 | V562-I595 HydrophobicContact CG2-CD1 4.15Å; W591-I595 HydrophobicContact CD2-CG1 3.78Å; W591-I595 HydrophobicContact CE3-CG1 4.04Å; W591-I595 HydrophobicContact CG-CG1 4.39Å; W591-I595 HydrophobicContact CH2-CG1 4.09Å; W591-I595 HydrophobicContact CZ2-CD1 4.27Å; W591-I595 HydrophobicContact CZ2-CG1 3.81Å; W591-I595 HydrophobicContact CZ3-CG1 4.19Å; W591-I595 WeakPolarHBondContact O-CG1 3.28Å; W591-I595 PolarHBondContact O-N 3.14Å; Y593-I595 VanDerWaalsContact C-N 3.33Å; Y593-I595 PolarHBondContact O-N 2.75Å; I595-E597 PolarHBondContact O-N 2.7Å; I595-L598 WeakPolarHBondContact O-CB 3.41Å; I595-L598 PolarHBondContact O-N 3.16Å; I595-L599 HydrophobicContact CG2-CD1 3.66Å; I595-L599 HydrophobicContact CG2-CG 4.22Å; I595-L599 WeakPolarHBondContact O-CG 3.4Å; I595-L599 PolarHBondContact O-N 3.46Å |
| 596 | S | 80.3 | Confident | 70.2 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 49% | 0.49 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | N592 Y593 L598 L599 E600 | N592-S596 VanDerWaalsContact O-CB 3.24Å; N592-S596 WeakPolarHBondContact O-CB 3.44Å; N592-S596 PolarHBondContact O-N 2.77Å; N592-S596 PolarHBondContact O-OG 2.7Å; Y593-S596 PolarHBondContact O-N 3.22Å; S596-L598 VanDerWaalsContact C-N 3.31Å; S596-L598 PolarHBondContact O-N 3.41Å; S596-L599 PolarHBondContact O-N 2.74Å; S596-E600 WeakPolarHBondContact O-CB 3.2Å; S596-E600 PolarHBondContact O-N 3.19Å |
| 597 | E | 85.4 | Confident | 70.6 | Confident | 25 Ų | 25 | 77.9 Ų | 77.9 | 12% | 0.117 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 176.4 | -175 | -177.9 | -126.4 | 0 | 0 | 112.3 | N539 R554 Y593 I595 K601 | N539-E597 WeakPolarHBondContact CA-OE2 3.32Å; R554-E597 VanDerWaalsContact CZ-CD 3.48Å; R554-E597 IonicContact CZ-OE1 3.25Å; R554-E597 VanDerWaalsContact CZ-OE1 3.23Å; R554-E597 IonicContact CZ-OE2 2.73Å; R554-E597 IonicContact NE-OE2 3.84Å; R554-E597 PolarHBondContact NE-OE2 3.45Å; R554-E597 IonicContact NH1-OE1 2.74Å; R554-E597 IonicContact NH1-OE2 2.76Å; R554-E597 IonicContact NH2-OE1 2.79Å; R554-E597 PolarHBondContact NH2-OE1 2.98Å; R554-E597 IonicContact NH2-OE2 2.78Å; R554-E597 PolarHBondContact NH2-OE2 3.39Å; Y593-E597 HydrophobicContact CE1-CB 4.19Å; Y593-E597 PolarHBondContact O-N 2.75Å; I595-E597 PolarHBondContact O-N 2.7Å; E597-K601 HydrophobicContact CG-CD 4.43Å; E597-K601 WeakPolarHBondContact O-CB 3.32Å; E597-K601 WeakPolarHBondContact O-CG 3.36Å; E597-K601 PolarHBondContact O-N 3.13Å |
| 598 | L | 83 | Confident | 71.1 | Confident | 22 Ų | 22 | 77.6 Ų | 77.6 | 12% | 0.115 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.9 | -51.8 | 171.7 | 176.3 | 66 | 0 | 0 | 0 | 110.8 | Y537 I556 A594 I595 S596 K601 Q602 | Y537-L598 HydrophobicContact CD1-CD1 3.37Å; Y537-L598 HydrophobicContact CD2-CD1 4.26Å; Y537-L598 HydrophobicContact CE1-CD1 3.72Å; Y537-L598 HydrophobicContact CG-CD1 3.66Å; I556-L598 HydrophobicContact CD1-CB 4.12Å; I556-L598 HydrophobicContact CD1-CD2 3.92Å; I556-L598 HydrophobicContact CD1-CG 4.47Å; A594-L598 PolarHBondContact O-N 3.16Å; I595-L598 WeakPolarHBondContact O-CB 3.41Å; I595-L598 PolarHBondContact O-N 3.16Å; S596-L598 VanDerWaalsContact C-N 3.31Å; S596-L598 PolarHBondContact O-N 3.41Å; L598-K601 PolarHBondContact O-N 2.95Å; L598-Q602 HydrophobicContact CD1-CG 4.11Å; L598-Q602 HydrophobicContact CG-CG 4.46Å; L598-Q602 WeakPolarHBondContact O-CG 3.37Å; L598-Q602 PolarHBondContact O-N 3.45Å |
| 599 | L | 76.2 | Confident | 71.1 | Confident | 54 Ų | 54 | 76.4 Ų | 76.4 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | -174.1 | -66.3 | 168.2 | 0 | 0 | 0 | 112.7 | I595 S596 K601 Q602 G603 L606 | I595-L599 HydrophobicContact CG2-CD1 3.66Å; I595-L599 HydrophobicContact CG2-CG 4.22Å; I595-L599 WeakPolarHBondContact O-CG 3.4Å; I595-L599 PolarHBondContact O-N 3.46Å; S596-L599 PolarHBondContact O-N 2.74Å; L599-K601 VanDerWaalsContact C-N 3.26Å; L599-K601 PolarHBondContact O-N 3.39Å; L599-Q602 PolarHBondContact O-N 3.4Å; L599-G603 PolarHBondContact O-N 3.18Å; L599-L606 HydrophobicContact CB-CD1 4.18Å; L599-L606 HydrophobicContact CD1-CD1 4.36Å; L599-L606 HydrophobicContact CD1-CD2 3.86Å; L599-L606 HydrophobicContact CD2-CD1 3.76Å; L599-L606 HydrophobicContact CD2-CD2 4.18Å; L599-L606 HydrophobicContact CG-CD1 4.29Å |
| 600 | E | 75.7 | Confident | 70.5 | Confident | 159 Ų | 159 | 77.3 Ų | 77.3 | 74% | 0.743 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -56.6 | -42.4 | 175 | -175.7 | 178 | -158.4 | 0 | 0 | 111.1 | S596 G603 | S596-E600 WeakPolarHBondContact O-CB 3.2Å; S596-E600 PolarHBondContact O-N 3.19Å; E600-G603 PolarHBondContact O-N 3.12Å |
| 601 | K | 77.8 | Confident | 69.9 | Low | 101 Ų | 101 | 80.8 Ų | 80.8 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -79.3 | -20.5 | -179.9 | -75.5 | -179.5 | 165.4 | -168.5 | 0 | 115.2 | N539 G540 S541 E597 L598 L599 | N539-K601 VanDerWaalsContact O-CD 3.27Å; N539-K601 WeakPolarHBondContact O-CD 2.97Å; N539-K601 WeakPolarHBondContact O-CE 3.49Å; N539-K601 PolarHBondContact O-NZ 3.49Å; G540-K601 WeakPolarHBondContact O-CB 3.39Å; S541-K601 PolarHBondContact OG-NZ 2.79Å; E597-K601 HydrophobicContact CG-CD 4.43Å; E597-K601 WeakPolarHBondContact O-CB 3.32Å; E597-K601 WeakPolarHBondContact O-CG 3.36Å; E597-K601 PolarHBondContact O-N 3.13Å; L598-K601 PolarHBondContact O-N 2.95Å; L599-K601 VanDerWaalsContact C-N 3.26Å; L599-K601 PolarHBondContact O-N 3.39Å |
| 602 | Q | 67.9 | Low | 69.2 | Low | 89 Ų | 89 | 82.3 Ų | 82.3 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -81.3 | -3.6 | 168.9 | -64 | -49.5 | -66.7 | 0 | 0 | 112.7 | G540 L598 L599 V604 | G540-Q602 PolarHBondContact O-NE2 2.72Å; L598-Q602 HydrophobicContact CD1-CG 4.11Å; L598-Q602 HydrophobicContact CG-CG 4.46Å; L598-Q602 WeakPolarHBondContact O-CG 3.37Å; L598-Q602 PolarHBondContact O-N 3.45Å; L599-Q602 PolarHBondContact O-N 3.4Å; Q602-V604 VanDerWaalsContact C-N 3.3Å; Q602-V604 PolarHBondContact O-N 2.72Å |
| 603 | G | 56.8 | Low | 68.3 | Low | 68 Ų | 68 | 85.4 Ų | 85.4 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 18 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115 | L599 E600 | L599-G603 PolarHBondContact O-N 3.18Å; E600-G603 PolarHBondContact O-N 3.12Å |
| 604 | V | 52.4 | Low | 67.5 | Low | 67 Ų | 67 | 85.9 Ų | 85.9 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | trans | -90.5 | 122.1 | 175.3 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | Q602 L606 | Q602-V604 VanDerWaalsContact C-N 3.3Å; Q602-V604 PolarHBondContact O-N 2.72Å; V604-L606 HydrophobicContact CB-CD1 3.55Å; V604-L606 HydrophobicContact CG1-CD1 3.44Å; V604-L606 VanDerWaalsContact CG1-CD1 3.44Å; V604-L606 HydrophobicContact CG1-CG 4.34Å; V604-L606 PolarHBondContact O-N 3.23Å | ||
| 605 | D | 48.8 | Very low | 67.1 | Low | 97 Ų | 97 | 90 Ų | 90 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | trans | -74 | 69.2 | 178.4 | -175 | -1 | 0 | 0 | 0 | 110.3 | R607 K608 E609 | D605-R607 PolarHBondContact O-N 2.91Å; D605-K608 HydrophobicContact CB-CB 4.3Å; D605-K608 VanDerWaalsContact CG-CB 3.42Å; D605-K608 CarbonylContact O-C 3.55Å; D605-K608 PolarHBondContact O-N 3.27Å; D605-K608 WeakPolarHBondContact OD1-CB 3.37Å; D605-K608 PolarHBondContact OD1-N 3.04Å; D605-K608 VanDerWaalsContact OD2-CB 3.28Å; D605-K608 WeakPolarHBondContact OD2-CB 2.95Å; D605-K608 WeakPolarHBondContact OD2-CD 3.2Å; D605-E609 PolarHBondContact O-N 3.25Å | ||
| 606 | L | 48.6 | Very low | 66.6 | Low | 57 Ų | 57 | 94 Ų | 94 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.7 | -22.6 | -174.1 | -97.4 | 93 | 0 | 0 | 0 | 113.2 | L599 V604 K608 V610 | L599-L606 HydrophobicContact CB-CD1 4.18Å; L599-L606 HydrophobicContact CD1-CD1 4.36Å; L599-L606 HydrophobicContact CD1-CD2 3.86Å; L599-L606 HydrophobicContact CD2-CD1 3.76Å; L599-L606 HydrophobicContact CD2-CD2 4.18Å; L599-L606 HydrophobicContact CG-CD1 4.29Å; V604-L606 HydrophobicContact CB-CD1 3.55Å; V604-L606 HydrophobicContact CG1-CD1 3.44Å; V604-L606 VanDerWaalsContact CG1-CD1 3.44Å; V604-L606 HydrophobicContact CG1-CG 4.34Å; V604-L606 PolarHBondContact O-N 3.23Å; L606-K608 VanDerWaalsContact C-N 3.32Å; L606-V610 HydrophobicContact CB-CG2 4.14Å; L606-V610 HydrophobicContact CD2-CG2 3.78Å; L606-V610 HydrophobicContact CG-CG2 4.12Å; L606-V610 WeakPolarHBondContact O-CA 3.45Å; L606-V610 WeakPolarHBondContact O-CB 3.2Å; L606-V610 WeakPolarHBondContact O-CG2 3.12Å; L606-V610 PolarHBondContact O-N 2.81Å |
| 607 | R | 51.9 | Low | 66 | Low | 216 Ų | 216 | 95.6 Ų | 95.6 | 82% | 0.815 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.2 | -47.6 | 169.3 | -83.2 | -169.4 | 176.2 | 169.1 | 2.5 | 109.6 | D605 E611 | D605-R607 PolarHBondContact O-N 2.91Å; R607-E611 WeakPolarHBondContact O-CA 3.17Å; R607-E611 WeakPolarHBondContact O-CB 3.46Å; R607-E611 PolarHBondContact O-N 2.95Å |
| 608 | K | 57.9 | Low | 65.3 | Low | 132 Ų | 132 | 99.4 Ų | 99.4 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.6 | -35.9 | 179.6 | -148.3 | 171.3 | -164.4 | 170.9 | 0 | 113.5 | D605 L606 N612 | D605-K608 HydrophobicContact CB-CB 4.3Å; D605-K608 VanDerWaalsContact CG-CB 3.42Å; D605-K608 CarbonylContact O-C 3.55Å; D605-K608 PolarHBondContact O-N 3.27Å; D605-K608 WeakPolarHBondContact OD1-CB 3.37Å; D605-K608 PolarHBondContact OD1-N 3.04Å; D605-K608 VanDerWaalsContact OD2-CB 3.28Å; D605-K608 WeakPolarHBondContact OD2-CB 2.95Å; D605-K608 WeakPolarHBondContact OD2-CD 3.2Å; L606-K608 VanDerWaalsContact C-N 3.32Å; K608-N612 VanDerWaalsContact O-CB 3.27Å; K608-N612 WeakPolarHBondContact O-CB 3.41Å; K608-N612 PolarHBondContact O-N 2.87Å; K608-N612 PolarHBondContact O-ND2 3.06Å |
| 609 | E | 59.4 | Low | 65 | Low | 82 Ų | 82 | 103.1 Ų | 103.1 | 38% | 0.383 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77 | -41.6 | 177.5 | -163.2 | 179.7 | 164.9 | 0 | 0 | 112.4 | D605 R613 | D605-E609 PolarHBondContact O-N 3.25Å; E609-R613 HydrophobicContact CG-CG 4.49Å; E609-R613 VanDerWaalsContact O-CB 3.29Å; E609-R613 WeakPolarHBondContact O-CB 3.09Å; E609-R613 VanDerWaalsContact O-CG 3.3Å; E609-R613 WeakPolarHBondContact O-CG 3.33Å; E609-R613 PolarHBondContact O-N 2.98Å; E609-R613 IonicContact OE1-CZ 3.01Å; E609-R613 VanDerWaalsContact OE1-CZ 3.28Å; E609-R613 IonicContact OE1-NE 3.84Å; E609-R613 PolarHBondContact OE1-NE 3.25Å; E609-R613 VanDerWaalsContact OE1-NE 3.08Å; E609-R613 IonicContact OE1-NH2 3.49Å; E609-R613 PolarHBondContact OE1-NH2 3.13Å |
| 610 | V | 55.4 | Low | 64.9 | Low | 76 Ų | 76 | 104.6 Ų | 104.6 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70 | -38.4 | 174 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | L606 R613 L614 | L606-V610 HydrophobicContact CB-CG2 4.14Å; L606-V610 HydrophobicContact CD2-CG2 3.78Å; L606-V610 HydrophobicContact CG-CG2 4.12Å; L606-V610 WeakPolarHBondContact O-CA 3.45Å; L606-V610 WeakPolarHBondContact O-CB 3.2Å; L606-V610 WeakPolarHBondContact O-CG2 3.12Å; L606-V610 PolarHBondContact O-N 2.81Å; V610-R613 CarbonylContact O-C 3.33Å; V610-R613 PolarHBondContact O-N 3.1Å; V610-L614 WeakPolarHBondContact O-CA 3.36Å; V610-L614 WeakPolarHBondContact O-CB 3.43Å; V610-L614 PolarHBondContact O-N 3.1Å |
| 611 | E | 66.7 | Low | 64.6 | Low | 126 Ų | 126 | 105 Ų | 105 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.1 | -38.7 | 176 | -169.2 | 168.3 | -134.9 | 0 | 0 | 111.2 | R607 L614 I615 | R607-E611 WeakPolarHBondContact O-CA 3.17Å; R607-E611 WeakPolarHBondContact O-CB 3.46Å; R607-E611 PolarHBondContact O-N 2.95Å; E611-L614 PolarHBondContact O-N 2.96Å; E611-I615 HydrophobicContact CG-CD1 4.07Å; E611-I615 VanDerWaalsContact O-CB 3.3Å; E611-I615 WeakPolarHBondContact O-CB 3.1Å; E611-I615 WeakPolarHBondContact O-CD1 3.31Å; E611-I615 WeakPolarHBondContact O-CG1 3.31Å; E611-I615 PolarHBondContact O-N 2.85Å |
| 612 | N | 70.8 | Confident | 64.5 | Low | 85 Ų | 85 | 107.1 Ų | 107.1 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 170.7 | -80.9 | -68.7 | 0 | 0 | 0 | 112.8 | K608 Q616 | K608-N612 VanDerWaalsContact O-CB 3.27Å; K608-N612 WeakPolarHBondContact O-CB 3.41Å; K608-N612 PolarHBondContact O-N 2.87Å; K608-N612 PolarHBondContact O-ND2 3.06Å; N612-Q616 VanDerWaalsContact O-CB 3.28Å; N612-Q616 WeakPolarHBondContact O-CB 3.49Å; N612-Q616 VanDerWaalsContact O-CG 3.22Å; N612-Q616 WeakPolarHBondContact O-CG 3.42Å; N612-Q616 PolarHBondContact O-N 3.3Å |
| 613 | R | 65.8 | Low | 65 | Low | 148 Ų | 148 | 109 Ų | 109 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.2 | -34.7 | 174.7 | -76.3 | -174.4 | -169.9 | -153.7 | 7.3 | 112 | E609 V610 Q616 L617 | E609-R613 HydrophobicContact CG-CG 4.49Å; E609-R613 VanDerWaalsContact O-CB 3.29Å; E609-R613 WeakPolarHBondContact O-CB 3.09Å; E609-R613 VanDerWaalsContact O-CG 3.3Å; E609-R613 WeakPolarHBondContact O-CG 3.33Å; E609-R613 PolarHBondContact O-N 2.98Å; E609-R613 IonicContact OE1-CZ 3.01Å; E609-R613 VanDerWaalsContact OE1-CZ 3.28Å; E609-R613 IonicContact OE1-NE 3.84Å; E609-R613 PolarHBondContact OE1-NE 3.25Å; E609-R613 VanDerWaalsContact OE1-NE 3.08Å; E609-R613 IonicContact OE1-NH2 3.49Å; E609-R613 PolarHBondContact OE1-NH2 3.13Å; V610-R613 CarbonylContact O-C 3.33Å; V610-R613 PolarHBondContact O-N 3.1Å; R613-Q616 PolarHBondContact O-N 3.33Å; R613-L617 WeakPolarHBondContact O-CB 3.34Å; R613-L617 WeakPolarHBondContact O-CD1 3.48Å; R613-L617 WeakPolarHBondContact O-CG 3.15Å; R613-L617 PolarHBondContact O-N 3.12Å |
| 614 | L | 69 | Low | 65.6 | Low | 94 Ų | 94 | 110.3 Ų | 110.3 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73 | -39.8 | 177.2 | -171.4 | 72.5 | 0 | 0 | 0 | 110.1 | V610 E611 L617 E618 | V610-L614 WeakPolarHBondContact O-CA 3.36Å; V610-L614 WeakPolarHBondContact O-CB 3.43Å; V610-L614 PolarHBondContact O-N 3.1Å; E611-L614 PolarHBondContact O-N 2.96Å; L614-L617 PolarHBondContact O-N 2.8Å; L614-E618 HydrophobicContact CG-CG 4.48Å; L614-E618 WeakPolarHBondContact O-CA 3.09Å; L614-E618 WeakPolarHBondContact O-CB 3.37Å; L614-E618 WeakPolarHBondContact O-CG 2.97Å; L614-E618 PolarHBondContact O-N 3.49Å |
| 615 | I | 74.8 | Confident | 66.6 | Low | 86 Ų | 86 | 112.4 Ų | 112.4 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 170 | -70.2 | 164.7 | 0 | 0 | 0 | 110.6 | E611 E619 | E611-I615 HydrophobicContact CG-CD1 4.07Å; E611-I615 VanDerWaalsContact O-CB 3.3Å; E611-I615 WeakPolarHBondContact O-CB 3.1Å; E611-I615 WeakPolarHBondContact O-CD1 3.31Å; E611-I615 WeakPolarHBondContact O-CG1 3.31Å; E611-I615 PolarHBondContact O-N 2.85Å; I615-E619 VanDerWaalsContact O-CB 3.27Å; I615-E619 WeakPolarHBondContact O-CB 3.43Å; I615-E619 WeakPolarHBondContact O-CG 3.23Å; I615-E619 PolarHBondContact O-N 3.29Å |
| 616 | Q | 73.4 | Confident | 67.9 | Low | 119 Ų | 119 | 112.3 Ų | 112.3 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.2 | -37.1 | 175.9 | -76.3 | 175.6 | 6.4 | 0 | 0 | 112.7 | N612 R613 Q620 | N612-Q616 VanDerWaalsContact O-CB 3.28Å; N612-Q616 WeakPolarHBondContact O-CB 3.49Å; N612-Q616 VanDerWaalsContact O-CG 3.22Å; N612-Q616 WeakPolarHBondContact O-CG 3.42Å; N612-Q616 PolarHBondContact O-N 3.3Å; R613-Q616 PolarHBondContact O-N 3.33Å; Q616-Q620 WeakPolarHBondContact O-CA 3.2Å; Q616-Q620 WeakPolarHBondContact O-CB 3.27Å; Q616-Q620 PolarHBondContact O-N 3.09Å |
| 617 | L | 69.3 | Low | 69.2 | Low | 104 Ų | 104 | 115.3 Ų | 115.3 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.6 | -34.6 | 175.6 | -75.2 | 166.7 | 0 | 0 | 0 | 112 | R613 L614 Y621 | R613-L617 WeakPolarHBondContact O-CB 3.34Å; R613-L617 WeakPolarHBondContact O-CD1 3.48Å; R613-L617 WeakPolarHBondContact O-CG 3.15Å; R613-L617 PolarHBondContact O-N 3.12Å; L614-L617 PolarHBondContact O-N 2.8Å; L617-Y621 WeakPolarHBondContact O-CA 3.33Å; L617-Y621 WeakPolarHBondContact O-CB 3.44Å; L617-Y621 PolarHBondContact O-N 3.29Å |
| 618 | E | 70.5 | Confident | 70 | Confident | 106 Ų | 106 | 108.4 Ų | 108.4 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.7 | -39.7 | 171.6 | -81.5 | -165.3 | 178.4 | 0 | 0 | 111 | L614 R622 | L614-E618 HydrophobicContact CG-CG 4.48Å; L614-E618 WeakPolarHBondContact O-CA 3.09Å; L614-E618 WeakPolarHBondContact O-CB 3.37Å; L614-E618 WeakPolarHBondContact O-CG 2.97Å; L614-E618 PolarHBondContact O-N 3.49Å; E618-R622 WeakPolarHBondContact O-CA 3.43Å; E618-R622 WeakPolarHBondContact O-CB 3.08Å; E618-R622 PolarHBondContact O-N 3.45Å |
| 619 | E | 75.9 | Confident | 70.6 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71 | -36.1 | 171.5 | -78.1 | -159.9 | 175.5 | 0 | 0 | 111.9 | I615 R623 | I615-E619 VanDerWaalsContact O-CB 3.27Å; I615-E619 WeakPolarHBondContact O-CB 3.43Å; I615-E619 WeakPolarHBondContact O-CG 3.23Å; I615-E619 PolarHBondContact O-N 3.29Å; E619-R623 WeakPolarHBondContact O-CB 3.06Å; E619-R623 WeakPolarHBondContact O-CG 3.2Å; E619-R623 PolarHBondContact O-N 3.25Å; E619-R623 PolarHBondContact O-NE 3.25Å; E619-R623 IonicContact OE2-CZ 3.71Å; E619-R623 IonicContact OE2-NE 2.68Å; E619-R623 IonicContact OE2-NH2 2.78Å; E619-R623 PolarHBondContact OE2-NH2 3.36Å |
| 620 | Q | 74 | Confident | 71.6 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -50.2 | 176.4 | 179.1 | 170.4 | -10.4 | 0 | 0 | 110 | Q616 R622 R623 E624 | Q616-Q620 WeakPolarHBondContact O-CA 3.2Å; Q616-Q620 WeakPolarHBondContact O-CB 3.27Å; Q616-Q620 PolarHBondContact O-N 3.09Å; Q620-R622 VanDerWaalsContact C-N 3.3Å; Q620-R622 PolarHBondContact O-N 3.01Å; Q620-R623 CarbonylContact O-C 3.42Å; Q620-R623 PolarHBondContact O-N 3.05Å; Q620-R623 VanDerWaalsContact O-N 3.11Å; Q620-E624 HydrophobicContact CG-CG 4.24Å; Q620-E624 WeakPolarHBondContact CG-OE1 3.23Å; Q620-E624 PolarHBondContact NE2-OE1 2.78Å; Q620-E624 VanDerWaalsContact O-CB 3.29Å; Q620-E624 WeakPolarHBondContact O-CB 3.47Å; Q620-E624 WeakPolarHBondContact O-CG 3.49Å; Q620-E624 PolarHBondContact O-N 3.27Å |
| 621 | Y | 69 | Low | 72.6 | Confident | 167 Ų | 167 | 110.8 Ų | 110.8 | 66% | 0.655 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.9 | -33.4 | 174.8 | -168.1 | -99.4 | 0 | 0 | 0 | 111.8 | L617 K625 | L617-Y621 WeakPolarHBondContact O-CA 3.33Å; L617-Y621 WeakPolarHBondContact O-CB 3.44Å; L617-Y621 PolarHBondContact O-N 3.29Å; Y621-K625 WeakPolarHBondContact O-CA 3.28Å; Y621-K625 WeakPolarHBondContact O-CB 3.2Å; Y621-K625 PolarHBondContact O-N 2.73Å |
| 622 | R | 75.8 | Confident | 72.8 | Confident | 145 Ų | 145 | 111.1 Ų | 111.1 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.8 | -36.9 | 170.9 | -171.7 | -173.3 | -48.9 | -162.7 | 5.1 | 112.1 | E618 Q620 E626 | E618-R622 WeakPolarHBondContact O-CA 3.43Å; E618-R622 WeakPolarHBondContact O-CB 3.08Å; E618-R622 PolarHBondContact O-N 3.45Å; Q620-R622 VanDerWaalsContact C-N 3.3Å; Q620-R622 PolarHBondContact O-N 3.01Å; R622-E626 HydrophobicContact CG-CG 4.29Å; R622-E626 WeakPolarHBondContact CG-OE1 3.42Å; R622-E626 WeakPolarHBondContact O-CA 3.11Å; R622-E626 WeakPolarHBondContact O-CB 3.48Å; R622-E626 VanDerWaalsContact O-CG 3.26Å; R622-E626 WeakPolarHBondContact O-CG 3.4Å; R622-E626 PolarHBondContact O-N 3.3Å |
| 623 | R | 78.7 | Confident | 73 | Confident | 128 Ų | 128 | 109.7 Ų | 109.7 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -45.1 | 175.7 | -79.6 | -178.4 | -102.6 | 104.5 | -9.2 | 111.1 | E619 Q620 E626 Q627 | E619-R623 WeakPolarHBondContact O-CB 3.06Å; E619-R623 WeakPolarHBondContact O-CG 3.2Å; E619-R623 PolarHBondContact O-N 3.25Å; E619-R623 PolarHBondContact O-NE 3.25Å; E619-R623 IonicContact OE2-CZ 3.71Å; E619-R623 IonicContact OE2-NE 2.68Å; E619-R623 IonicContact OE2-NH2 2.78Å; E619-R623 PolarHBondContact OE2-NH2 3.36Å; Q620-R623 CarbonylContact O-C 3.42Å; Q620-R623 PolarHBondContact O-N 3.05Å; Q620-R623 VanDerWaalsContact O-N 3.11Å; R623-E626 PolarHBondContact O-N 2.8Å; R623-Q627 WeakPolarHBondContact O-CA 3.04Å; R623-Q627 WeakPolarHBondContact O-CB 3.34Å; R623-Q627 PolarHBondContact O-N 3.25Å |
| 624 | E | 69.8 | Low | 73.6 | Confident | 97 Ų | 97 | 108.6 Ų | 108.6 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 174.8 | -72.1 | 172.2 | -174.9 | 0 | 0 | 111.4 | Q620 S628 | Q620-E624 HydrophobicContact CG-CG 4.24Å; Q620-E624 WeakPolarHBondContact CG-OE1 3.23Å; Q620-E624 PolarHBondContact NE2-OE1 2.78Å; Q620-E624 VanDerWaalsContact O-CB 3.29Å; Q620-E624 WeakPolarHBondContact O-CB 3.47Å; Q620-E624 WeakPolarHBondContact O-CG 3.49Å; Q620-E624 PolarHBondContact O-N 3.27Å; E624-S628 WeakPolarHBondContact O-CA 3.15Å; E624-S628 WeakPolarHBondContact O-CB 3.01Å; E624-S628 PolarHBondContact O-N 2.9Å |
| 625 | K | 73.8 | Confident | 73.8 | Confident | 110 Ų | 110 | 108.8 Ų | 108.8 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.2 | -43.6 | 171.3 | -177.4 | 171 | 178 | 176 | 0 | 112.4 | Y621 Q627 S628 D629 | Y621-K625 WeakPolarHBondContact O-CA 3.28Å; Y621-K625 WeakPolarHBondContact O-CB 3.2Å; Y621-K625 PolarHBondContact O-N 2.73Å; K625-Q627 PolarHBondContact O-N 2.77Å; K625-S628 PolarHBondContact O-N 2.78Å; K625-D629 WeakPolarHBondContact CE-OD2 3.27Å; K625-D629 WeakPolarHBondContact CG-OD2 3.15Å; K625-D629 WeakPolarHBondContact O-CA 3.35Å; K625-D629 WeakPolarHBondContact O-CB 3.3Å; K625-D629 VanDerWaalsContact O-CG 3.24Å; K625-D629 PolarHBondContact O-N 2.79Å |
| 626 | E | 75.9 | Confident | 73.7 | Confident | 96 Ų | 96 | 111.5 Ų | 111.5 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -30.1 | 173.6 | -79.7 | -177.7 | -149.8 | 0 | 0 | 111.3 | R622 R623 R630 | R622-E626 HydrophobicContact CG-CG 4.29Å; R622-E626 WeakPolarHBondContact CG-OE1 3.42Å; R622-E626 WeakPolarHBondContact O-CA 3.11Å; R622-E626 WeakPolarHBondContact O-CB 3.48Å; R622-E626 VanDerWaalsContact O-CG 3.26Å; R622-E626 WeakPolarHBondContact O-CG 3.4Å; R622-E626 PolarHBondContact O-N 3.3Å; R623-E626 PolarHBondContact O-N 2.8Å; E626-R630 WeakPolarHBondContact O-CA 2.9Å; E626-R630 WeakPolarHBondContact O-CB 3.48Å; E626-R630 WeakPolarHBondContact O-CG 3.46Å; E626-R630 PolarHBondContact O-N 2.83Å |
| 627 | Q | 75.5 | Confident | 73.8 | Confident | 120 Ų | 120 | 113.5 Ų | 113.5 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -79.5 | -34.7 | 175.8 | -172.5 | 169 | 10.7 | 0 | 0 | 111.7 | R623 K625 L631 | R623-Q627 WeakPolarHBondContact O-CA 3.04Å; R623-Q627 WeakPolarHBondContact O-CB 3.34Å; R623-Q627 PolarHBondContact O-N 3.25Å; K625-Q627 PolarHBondContact O-N 2.77Å; Q627-L631 HydrophobicContact CG-CD1 4.15Å; Q627-L631 WeakPolarHBondContact O-CB 3.23Å; Q627-L631 WeakPolarHBondContact O-CD1 3.29Å; Q627-L631 WeakPolarHBondContact O-CG 3.08Å; Q627-L631 PolarHBondContact O-N 3.45Å |
| 628 | S | 67.8 | Low | 74.2 | Confident | 71 Ų | 71 | 112.7 Ų | 112.7 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.7 | -47.4 | 172.1 | -172.1 | 0 | 0 | 0 | 0 | 111 | E624 K625 R630 L631 F632 | E624-S628 WeakPolarHBondContact O-CA 3.15Å; E624-S628 WeakPolarHBondContact O-CB 3.01Å; E624-S628 PolarHBondContact O-N 2.9Å; K625-S628 PolarHBondContact O-N 2.78Å; S628-R630 VanDerWaalsContact C-N 3.29Å; S628-R630 PolarHBondContact O-N 3.24Å; S628-L631 PolarHBondContact O-N 3.13Å; S628-F632 WeakPolarHBondContact O-CA 3.5Å; S628-F632 WeakPolarHBondContact O-CB 3.36Å; S628-F632 PolarHBondContact O-N 3.01Å |
| 629 | D | 72.2 | Confident | 73.9 | Confident | 88 Ų | 88 | 114.1 Ų | 114.1 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -34 | 172.1 | -70.9 | -18.5 | 0 | 0 | 0 | 110.8 | K625 A633 | K625-D629 WeakPolarHBondContact CE-OD2 3.27Å; K625-D629 WeakPolarHBondContact CG-OD2 3.15Å; K625-D629 WeakPolarHBondContact O-CA 3.35Å; K625-D629 WeakPolarHBondContact O-CB 3.3Å; K625-D629 VanDerWaalsContact O-CG 3.24Å; K625-D629 PolarHBondContact O-N 2.79Å; D629-A633 WeakPolarHBondContact O-CA 3.15Å; D629-A633 WeakPolarHBondContact O-CB 3.47Å; D629-A633 PolarHBondContact O-N 3.34Å |
| 630 | R | 79.9 | Confident | 73.8 | Confident | 161 Ų | 161 | 114 Ų | 114 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.3 | -46.7 | 169.7 | -83.4 | 178 | -167.6 | -176.2 | 10.1 | 112.7 | E626 S628 F632 A633 E634 | E626-R630 WeakPolarHBondContact O-CA 2.9Å; E626-R630 WeakPolarHBondContact O-CB 3.48Å; E626-R630 WeakPolarHBondContact O-CG 3.46Å; E626-R630 PolarHBondContact O-N 2.83Å; S628-R630 VanDerWaalsContact C-N 3.29Å; S628-R630 PolarHBondContact O-N 3.24Å; R630-F632 VanDerWaalsContact C-N 3.27Å; R630-F632 PolarHBondContact O-N 3.35Å; R630-A633 CarbonylContact O-C 3.59Å; R630-A633 PolarHBondContact O-N 2.77Å; R630-E634 VanDerWaalsContact O-CB 3.25Å; R630-E634 WeakPolarHBondContact O-CB 3.47Å; R630-E634 WeakPolarHBondContact O-CG 3.48Å; R630-E634 PolarHBondContact O-N 3.27Å |
| 631 | L | 76.2 | Confident | 73.9 | Confident | 91 Ų | 91 | 111.5 Ų | 111.5 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -35 | 178.3 | -77 | 167.8 | 0 | 0 | 0 | 111 | Q627 S628 Q635 | Q627-L631 HydrophobicContact CG-CD1 4.15Å; Q627-L631 WeakPolarHBondContact O-CB 3.23Å; Q627-L631 WeakPolarHBondContact O-CD1 3.29Å; Q627-L631 WeakPolarHBondContact O-CG 3.08Å; Q627-L631 PolarHBondContact O-N 3.45Å; S628-L631 PolarHBondContact O-N 3.13Å; L631-Q635 WeakPolarHBondContact O-CB 3.12Å; L631-Q635 WeakPolarHBondContact O-CG 3.49Å; L631-Q635 PolarHBondContact O-N 2.78Å |
| 632 | F | 71.2 | Confident | 74.2 | Confident | 133 Ų | 133 | 108.5 Ų | 108.5 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.3 | -33.3 | 173.9 | -162.5 | -91 | 0 | 0 | 0 | 111.3 | S628 R630 R636 | S628-F632 WeakPolarHBondContact O-CA 3.5Å; S628-F632 WeakPolarHBondContact O-CB 3.36Å; S628-F632 PolarHBondContact O-N 3.01Å; R630-F632 VanDerWaalsContact C-N 3.27Å; R630-F632 PolarHBondContact O-N 3.35Å; F632-R636 WeakPolarHBondContact O-CA 3.48Å; F632-R636 WeakPolarHBondContact O-CB 3.29Å; F632-R636 PolarHBondContact O-N 3Å |
| 633 | A | 74.9 | Confident | 73.7 | Confident | 55 Ų | 55 | 105.9 Ų | 105.9 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.8 | -30.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | D629 R630 K637 | D629-A633 WeakPolarHBondContact O-CA 3.15Å; D629-A633 WeakPolarHBondContact O-CB 3.47Å; D629-A633 PolarHBondContact O-N 3.34Å; R630-A633 CarbonylContact O-C 3.59Å; R630-A633 PolarHBondContact O-N 2.77Å; A633-K637 WeakPolarHBondContact O-CB 3.45Å; A633-K637 PolarHBondContact O-N 3.5Å |
| 634 | E | 79 | Confident | 73.5 | Confident | 125 Ų | 125 | 105.9 Ų | 105.9 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75.8 | -47.8 | 174.3 | -77.7 | -176.1 | 153.5 | 0 | 0 | 110 | R630 R636 K637 E638 | R630-E634 VanDerWaalsContact O-CB 3.25Å; R630-E634 WeakPolarHBondContact O-CB 3.47Å; R630-E634 WeakPolarHBondContact O-CG 3.48Å; R630-E634 PolarHBondContact O-N 3.27Å; E634-R636 VanDerWaalsContact C-N 3.33Å; E634-R636 PolarHBondContact O-N 3.02Å; E634-K637 CarbonylContact O-C 3.43Å; E634-K637 PolarHBondContact O-N 2.69Å; E634-K637 VanDerWaalsContact O-N 3.16Å; E634-E638 VanDerWaalsContact O-CB 3.23Å; E634-E638 WeakPolarHBondContact O-CB 3.15Å; E634-E638 PolarHBondContact O-N 3.19Å |
| 635 | Q | 72.1 | Confident | 73.7 | Confident | 97 Ų | 97 | 103.7 Ų | 103.7 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 167.8 | -77.1 | -178.4 | 5.8 | 0 | 0 | 110.7 | L631 K637 E638 Y639 | L631-Q635 WeakPolarHBondContact O-CB 3.12Å; L631-Q635 WeakPolarHBondContact O-CG 3.49Å; L631-Q635 PolarHBondContact O-N 2.78Å; Q635-K637 VanDerWaalsContact C-N 3.31Å; Q635-K637 PolarHBondContact O-N 3.33Å; Q635-E638 CarbonylContact O-C 3.47Å; Q635-E638 PolarHBondContact O-N 2.87Å; Q635-Y639 HydrophobicContact CB-CD2 4.21Å; Q635-Y639 HydrophobicContact CB-CE2 4.24Å; Q635-Y639 VanDerWaalsContact O-CB 3.29Å; Q635-Y639 WeakPolarHBondContact O-CB 3.01Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.09Å; Q635-Y639 PolarHBondContact O-N 2.97Å |
| 636 | R | 72.2 | Confident | 73.5 | Confident | 143 Ų | 143 | 103.1 Ų | 103.1 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -33.9 | 176.2 | 179.9 | 174.8 | 175.6 | 138.6 | 13.2 | 112 | F632 E634 E640 | F632-R636 WeakPolarHBondContact O-CA 3.48Å; F632-R636 WeakPolarHBondContact O-CB 3.29Å; F632-R636 PolarHBondContact O-N 3Å; E634-R636 VanDerWaalsContact C-N 3.33Å; E634-R636 PolarHBondContact O-N 3.02Å; R636-E640 HydrophobicContact CG-CG 4.16Å; R636-E640 IonicContact CZ-OE1 3.51Å; R636-E640 IonicContact NE-OE1 2.67Å; R636-E640 PolarHBondContact NE-OE1 3.28Å; R636-E640 IonicContact NE-OE2 3.78Å; R636-E640 IonicContact NH2-OE1 2.7Å; R636-E640 PolarHBondContact NH2-OE1 3.32Å; R636-E640 WeakPolarHBondContact O-CA 3.36Å; R636-E640 WeakPolarHBondContact O-CB 3.3Å; R636-E640 VanDerWaalsContact O-CG 3.24Å; R636-E640 WeakPolarHBondContact O-CG 3.13Å; R636-E640 PolarHBondContact O-N 3.48Å |
| 637 | K | 77 | Confident | 73.1 | Confident | 161 Ų | 161 | 104 Ų | 104 | 70% | 0.7 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.2 | -22.1 | 175.2 | -171.5 | 176.1 | -178.6 | -176.3 | 0 | 112.7 | A633 E634 Q635 G641 | A633-K637 WeakPolarHBondContact O-CB 3.45Å; A633-K637 PolarHBondContact O-N 3.5Å; E634-K637 CarbonylContact O-C 3.43Å; E634-K637 PolarHBondContact O-N 2.69Å; E634-K637 VanDerWaalsContact O-N 3.16Å; Q635-K637 VanDerWaalsContact C-N 3.31Å; Q635-K637 PolarHBondContact O-N 3.33Å; K637-G641 WeakPolarHBondContact O-CA 3.24Å; K637-G641 PolarHBondContact O-N 3.2Å |
| 638 | E | 76.5 | Confident | 73 | Confident | 88 Ų | 88 | 102.2 Ų | 102.2 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -80.7 | -31.4 | 169.3 | -165.2 | -171.8 | 174.2 | 0 | 0 | 110.8 | E634 Q635 R642 | E634-E638 VanDerWaalsContact O-CB 3.23Å; E634-E638 WeakPolarHBondContact O-CB 3.15Å; E634-E638 PolarHBondContact O-N 3.19Å; Q635-E638 CarbonylContact O-C 3.47Å; Q635-E638 PolarHBondContact O-N 2.87Å; E638-R642 WeakPolarHBondContact O-CA 3.44Å; E638-R642 WeakPolarHBondContact O-CB 3.2Å; E638-R642 WeakPolarHBondContact O-CG 3.39Å; E638-R642 PolarHBondContact O-N 2.67Å; E638-R642 IonicContact OE1-CZ 3.23Å; E638-R642 IonicContact OE1-NH1 2.69Å; E638-R642 PolarHBondContact OE1-NH1 3.42Å; E638-R642 IonicContact OE1-NH2 2.78Å; E638-R642 PolarHBondContact OE1-NH2 3.02Å; E638-R642 IonicContact OE2-NH1 3.28Å |
| 639 | Y | 65.2 | Low | 73.1 | Confident | 135 Ų | 135 | 103.9 Ų | 103.9 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -80 | -46.4 | 172.9 | -78.7 | -58 | 0 | 0 | 0 | 111.6 | Q635 G641 R642 I643 | Q635-Y639 HydrophobicContact CB-CD2 4.21Å; Q635-Y639 HydrophobicContact CB-CE2 4.24Å; Q635-Y639 VanDerWaalsContact O-CB 3.29Å; Q635-Y639 WeakPolarHBondContact O-CB 3.01Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.09Å; Q635-Y639 PolarHBondContact O-N 2.97Å; Y639-G641 VanDerWaalsContact C-N 3.27Å; Y639-G641 PolarHBondContact O-N 2.77Å; Y639-R642 CarbonylContact O-C 3.24Å; Y639-R642 PolarHBondContact O-N 2.79Å; Y639-I643 WeakPolarHBondContact O-CA 3.37Å; Y639-I643 WeakPolarHBondContact O-CB 3.27Å; Y639-I643 WeakPolarHBondContact O-CD1 2.97Å; Y639-I643 WeakPolarHBondContact O-CG1 3.49Å; Y639-I643 PolarHBondContact O-N 3.2Å |
| 640 | E | 73 | Confident | 72.6 | Confident | 96 Ų | 96 | 104.2 Ų | 104.2 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -35.5 | 168.6 | -72.2 | 174.6 | 171.6 | 0 | 0 | 109.9 | R636 Q644 | R636-E640 HydrophobicContact CG-CG 4.16Å; R636-E640 IonicContact CZ-OE1 3.51Å; R636-E640 IonicContact NE-OE1 2.67Å; R636-E640 PolarHBondContact NE-OE1 3.28Å; R636-E640 IonicContact NE-OE2 3.78Å; R636-E640 IonicContact NH2-OE1 2.7Å; R636-E640 PolarHBondContact NH2-OE1 3.32Å; R636-E640 WeakPolarHBondContact O-CA 3.36Å; R636-E640 WeakPolarHBondContact O-CB 3.3Å; R636-E640 VanDerWaalsContact O-CG 3.24Å; R636-E640 WeakPolarHBondContact O-CG 3.13Å; R636-E640 PolarHBondContact O-N 3.48Å; E640-Q644 WeakPolarHBondContact O-CA 3.07Å; E640-Q644 WeakPolarHBondContact O-CB 3.49Å; E640-Q644 PolarHBondContact O-N 2.81Å |
| 641 | G | 76.9 | Confident | 71.8 | Confident | 34 Ų | 34 | 101.7 Ų | 101.7 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -35.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K637 Y639 S645 | K637-G641 WeakPolarHBondContact O-CA 3.24Å; K637-G641 PolarHBondContact O-N 3.2Å; Y639-G641 VanDerWaalsContact C-N 3.27Å; Y639-G641 PolarHBondContact O-N 2.77Å; G641-S645 WeakPolarHBondContact O-CB 3.47Å; G641-S645 PolarHBondContact O-N 2.77Å |
| 642 | R | 73.7 | Confident | 71.2 | Confident | 104 Ų | 104 | 103.2 Ų | 103.2 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73 | -41.5 | 171.2 | -86.2 | -175.9 | -179.2 | 105.4 | 18.2 | 111.5 | E638 Y639 S645 L646 | E638-R642 WeakPolarHBondContact O-CA 3.44Å; E638-R642 WeakPolarHBondContact O-CB 3.2Å; E638-R642 WeakPolarHBondContact O-CG 3.39Å; E638-R642 PolarHBondContact O-N 2.67Å; E638-R642 IonicContact OE1-CZ 3.23Å; E638-R642 IonicContact OE1-NH1 2.69Å; E638-R642 PolarHBondContact OE1-NH1 3.42Å; E638-R642 IonicContact OE1-NH2 2.78Å; E638-R642 PolarHBondContact OE1-NH2 3.02Å; E638-R642 IonicContact OE2-NH1 3.28Å; Y639-R642 CarbonylContact O-C 3.24Å; Y639-R642 PolarHBondContact O-N 2.79Å; R642-S645 CarbonylContact O-C 3.59Å; R642-S645 PolarHBondContact O-N 3.43Å; R642-L646 WeakPolarHBondContact O-CA 3.5Å; R642-L646 WeakPolarHBondContact O-CB 3.36Å; R642-L646 WeakPolarHBondContact O-CD1 3.29Å; R642-L646 WeakPolarHBondContact O-CG 3.08Å; R642-L646 PolarHBondContact O-N 2.7Å |
| 643 | I | 66.8 | Low | 70.5 | Confident | 91 Ų | 91 | 102.6 Ų | 102.6 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 176.8 | -71.4 | 163.8 | 0 | 0 | 0 | 109.3 | Y639 L646 Q647 | Y639-I643 WeakPolarHBondContact O-CA 3.37Å; Y639-I643 WeakPolarHBondContact O-CB 3.27Å; Y639-I643 WeakPolarHBondContact O-CD1 2.97Å; Y639-I643 WeakPolarHBondContact O-CG1 3.49Å; Y639-I643 PolarHBondContact O-N 3.2Å; I643-L646 PolarHBondContact O-N 3.24Å; I643-Q647 HydrophobicContact CG2-CG 4.3Å; I643-Q647 WeakPolarHBondContact O-CA 3.45Å; I643-Q647 WeakPolarHBondContact O-CB 3.46Å; I643-Q647 WeakPolarHBondContact O-CG 3.31Å; I643-Q647 PolarHBondContact O-N 3.39Å |
| 644 | Q | 73.2 | Confident | 69.3 | Low | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73 | -33.8 | 174.3 | -169.9 | 168.6 | 40.7 | 0 | 0 | 111.4 | E640 E648 | E640-Q644 WeakPolarHBondContact O-CA 3.07Å; E640-Q644 WeakPolarHBondContact O-CB 3.49Å; E640-Q644 PolarHBondContact O-N 2.81Å; Q644-E648 WeakPolarHBondContact O-CA 3.3Å; Q644-E648 WeakPolarHBondContact O-CB 3.43Å; Q644-E648 VanDerWaalsContact O-CG 3.23Å; Q644-E648 WeakPolarHBondContact O-CG 3.5Å; Q644-E648 PolarHBondContact O-N 3.3Å |
| 645 | S | 74.9 | Confident | 68 | Low | 51 Ų | 51 | 101.9 Ų | 101.9 | 36% | 0.357 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.6 | -33.4 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | G641 R642 E648 Q649 | G641-S645 WeakPolarHBondContact O-CB 3.47Å; G641-S645 PolarHBondContact O-N 2.77Å; R642-S645 CarbonylContact O-C 3.59Å; R642-S645 PolarHBondContact O-N 3.43Å; S645-E648 CarbonylContact O-C 3.19Å; S645-Q649 WeakPolarHBondContact O-CB 3.23Å; S645-Q649 WeakPolarHBondContact O-CG 3.18Å; S645-Q649 PolarHBondContact O-N 2.97Å |
| 646 | L | 68.6 | Low | 67 | Low | 97 Ų | 97 | 102 Ų | 102 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -78 | -37 | 175 | -75.5 | 166.9 | 0 | 0 | 0 | 111.6 | R642 I643 Q649 V650 | R642-L646 WeakPolarHBondContact O-CA 3.5Å; R642-L646 WeakPolarHBondContact O-CB 3.36Å; R642-L646 WeakPolarHBondContact O-CD1 3.29Å; R642-L646 WeakPolarHBondContact O-CG 3.08Å; R642-L646 PolarHBondContact O-N 2.7Å; I643-L646 PolarHBondContact O-N 3.24Å; L646-Q649 CarbonylContact O-C 3.56Å; L646-Q649 PolarHBondContact O-N 2.74Å; L646-V650 VanDerWaalsContact O-CB 3.29Å; L646-V650 WeakPolarHBondContact O-CB 3.45Å; L646-V650 VanDerWaalsContact O-CG2 3.25Å; L646-V650 WeakPolarHBondContact O-CG2 3.04Å; L646-V650 PolarHBondContact O-N 3.45Å |
| 647 | Q | 67.6 | Low | 65.7 | Low | 114 Ų | 114 | 99.7 Ų | 99.7 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 169.6 | -78.3 | 175.2 | -33.2 | 0 | 0 | 109.3 | I643 Q649 V650 E651 | I643-Q647 HydrophobicContact CG2-CG 4.3Å; I643-Q647 WeakPolarHBondContact O-CA 3.45Å; I643-Q647 WeakPolarHBondContact O-CB 3.46Å; I643-Q647 WeakPolarHBondContact O-CG 3.31Å; I643-Q647 PolarHBondContact O-N 3.39Å; Q647-Q649 VanDerWaalsContact C-N 3.26Å; Q647-Q649 PolarHBondContact O-N 2.75Å; Q647-V650 PolarHBondContact O-N 3.38Å; Q647-E651 WeakPolarHBondContact O-CA 3.44Å; Q647-E651 WeakPolarHBondContact O-CB 3.26Å; Q647-E651 VanDerWaalsContact O-CG 3.26Å; Q647-E651 WeakPolarHBondContact O-CG 2.94Å; Q647-E651 PolarHBondContact O-N 3.22Å |
| 648 | E | 73.5 | Confident | 64.1 | Low | 83 Ų | 83 | 94 Ų | 94 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.8 | -27 | 170.3 | -78.3 | -163.3 | 140.2 | 0 | 0 | 112.6 | Q644 S645 R652 | Q644-E648 WeakPolarHBondContact O-CA 3.3Å; Q644-E648 WeakPolarHBondContact O-CB 3.43Å; Q644-E648 VanDerWaalsContact O-CG 3.23Å; Q644-E648 WeakPolarHBondContact O-CG 3.5Å; Q644-E648 PolarHBondContact O-N 3.3Å; S645-E648 CarbonylContact O-C 3.19Å; E648-R652 WeakPolarHBondContact O-CA 2.98Å; E648-R652 WeakPolarHBondContact O-CB 3.42Å; E648-R652 WeakPolarHBondContact O-CD 3.4Å; E648-R652 WeakPolarHBondContact O-CG 2.93Å; E648-R652 PolarHBondContact O-N 3.49Å; E648-R652 IonicContact OE1-CZ 3.5Å; E648-R652 IonicContact OE1-NH2 3.05Å; E648-R652 PolarHBondContact OE1-NH2 3.5Å; E648-R652 IonicContact OE2-CZ 3.59Å; E648-R652 IonicContact OE2-NH1 2.76Å; E648-R652 PolarHBondContact OE2-NH1 2.99Å; E648-R652 IonicContact OE2-NH2 2.65Å; E648-R652 PolarHBondContact OE2-NH2 3.01Å |
| 649 | Q | 70.1 | Confident | 62.8 | Low | 107 Ų | 107 | 94 Ų | 94 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -79.3 | -36 | 174.9 | -84.5 | 177 | 10.8 | 0 | 0 | 111.9 | S645 L646 Q647 H653 | S645-Q649 WeakPolarHBondContact O-CB 3.23Å; S645-Q649 WeakPolarHBondContact O-CG 3.18Å; S645-Q649 PolarHBondContact O-N 2.97Å; L646-Q649 CarbonylContact O-C 3.56Å; L646-Q649 PolarHBondContact O-N 2.74Å; Q647-Q649 VanDerWaalsContact C-N 3.26Å; Q647-Q649 PolarHBondContact O-N 2.75Å; Q649-H653 VanDerWaalsContact O-CB 3.31Å; Q649-H653 WeakPolarHBondContact O-CB 3.02Å; Q649-H653 PolarHBondContact O-N 3Å |
| 650 | V | 63.2 | Low | 62 | Low | 94 Ų | 94 | 92.8 Ų | 92.8 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -76.1 | -35.7 | 174.5 | 169 | 0 | 0 | 0 | 0 | 111 | L646 Q647 H653 S654 | L646-V650 VanDerWaalsContact O-CB 3.29Å; L646-V650 WeakPolarHBondContact O-CB 3.45Å; L646-V650 VanDerWaalsContact O-CG2 3.25Å; L646-V650 WeakPolarHBondContact O-CG2 3.04Å; L646-V650 PolarHBondContact O-N 3.45Å; Q647-V650 PolarHBondContact O-N 3.38Å; V650-H653 PolarHBondContact O-N 3.49Å; V650-S654 WeakPolarHBondContact O-CB 3.19Å; V650-S654 PolarHBondContact O-N 3.03Å |
| 651 | E | 62.7 | Low | 60.6 | Low | 109 Ų | 109 | 95.7 Ų | 95.7 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74 | -36.3 | 170.5 | -72.8 | -175 | 169.9 | 0 | 0 | 110.9 | Q647 M655 | Q647-E651 WeakPolarHBondContact O-CA 3.44Å; Q647-E651 WeakPolarHBondContact O-CB 3.26Å; Q647-E651 VanDerWaalsContact O-CG 3.26Å; Q647-E651 WeakPolarHBondContact O-CG 2.94Å; Q647-E651 PolarHBondContact O-N 3.22Å; E651-M655 HydrophobicContact CB-CE 3.83Å; E651-M655 WeakPolarHBondContact O-CA 3.38Å; E651-M655 WeakPolarHBondContact O-CB 3.17Å; E651-M655 VanDerWaalsContact O-CG 3.24Å; E651-M655 WeakPolarHBondContact O-CG 3.47Å; E651-M655 PolarHBondContact O-N 3.16Å |
| 652 | R | 62.7 | Low | 58.8 | Low | 122 Ų | 122 | 100.4 Ų | 100.4 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 166.9 | -76.1 | 171.3 | -167.9 | 119.2 | 6.6 | 111.6 | E648 L656 | E648-R652 WeakPolarHBondContact O-CA 2.98Å; E648-R652 WeakPolarHBondContact O-CB 3.42Å; E648-R652 WeakPolarHBondContact O-CD 3.4Å; E648-R652 WeakPolarHBondContact O-CG 2.93Å; E648-R652 PolarHBondContact O-N 3.49Å; E648-R652 IonicContact OE1-CZ 3.5Å; E648-R652 IonicContact OE1-NH2 3.05Å; E648-R652 PolarHBondContact OE1-NH2 3.5Å; E648-R652 IonicContact OE2-CZ 3.59Å; E648-R652 IonicContact OE2-NH1 2.76Å; E648-R652 PolarHBondContact OE2-NH1 2.99Å; E648-R652 IonicContact OE2-NH2 2.65Å; E648-R652 PolarHBondContact OE2-NH2 3.01Å; R652-L656 HydrophobicContact CB-CD1 4.28Å; R652-L656 WeakPolarHBondContact O-CA 3.37Å; R652-L656 WeakPolarHBondContact O-CB 3.2Å; R652-L656 WeakPolarHBondContact O-CD1 3.46Å; R652-L656 PolarHBondContact O-N 3.26Å |
| 653 | H | 56.4 | Low | 57.2 | Low | 120 Ų | 120 | 102.9 Ų | 102.9 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.2 | -42 | 173.7 | -115.8 | -86.8 | 0 | 0 | 0 | 111.5 | Q649 V650 E657 | Q649-H653 VanDerWaalsContact O-CB 3.31Å; Q649-H653 WeakPolarHBondContact O-CB 3.02Å; Q649-H653 PolarHBondContact O-N 3Å; V650-H653 PolarHBondContact O-N 3.49Å; H653-E657 VanDerWaalsContact O-CB 3.26Å; H653-E657 WeakPolarHBondContact O-CB 3.45Å; H653-E657 VanDerWaalsContact O-CG 3.32Å; H653-E657 WeakPolarHBondContact O-CG 3.12Å; H653-E657 PolarHBondContact O-N 3.36Å |
| 654 | S | 50.4 | Low | 56.2 | Low | 68 Ų | 68 | 104.9 Ų | 104.9 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.7 | -35.6 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | V650 S658 | V650-S654 WeakPolarHBondContact O-CB 3.19Å; V650-S654 PolarHBondContact O-N 3.03Å; S654-S658 VanDerWaalsContact O-CB 3.31Å; S654-S658 WeakPolarHBondContact O-CB 3.14Å; S654-S658 PolarHBondContact O-N 3.19Å; S654-S658 PolarHBondContact O-OG 2.87Å |
| 655 | M | 50.8 | Low | 54.5 | Low | 97 Ų | 97 | 104 Ų | 104 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -80.4 | -28.1 | 172.9 | -71.2 | -168.6 | -98.9 | 0 | 0 | 112.7 | E651 S658 M659 | E651-M655 HydrophobicContact CB-CE 3.83Å; E651-M655 WeakPolarHBondContact O-CA 3.38Å; E651-M655 WeakPolarHBondContact O-CB 3.17Å; E651-M655 VanDerWaalsContact O-CG 3.24Å; E651-M655 WeakPolarHBondContact O-CG 3.47Å; E651-M655 PolarHBondContact O-N 3.16Å; M655-S658 PolarHBondContact O-OG 3.17Å; M655-M659 WeakPolarHBondContact O-CA 3.34Å; M655-M659 WeakPolarHBondContact O-CB 3.45Å; M655-M659 WeakPolarHBondContact O-CG 3.34Å; M655-M659 PolarHBondContact O-N 2.97Å |
| 656 | L | 51.7 | Low | 52.5 | Low | 101 Ų | 101 | 106.3 Ų | 106.3 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.9 | -37.9 | 165.4 | -89.8 | 82.4 | 0 | 0 | 0 | 110.4 | R652 S658 I660 | R652-L656 HydrophobicContact CB-CD1 4.28Å; R652-L656 WeakPolarHBondContact O-CA 3.37Å; R652-L656 WeakPolarHBondContact O-CB 3.2Å; R652-L656 WeakPolarHBondContact O-CD1 3.46Å; R652-L656 PolarHBondContact O-N 3.26Å; L656-S658 VanDerWaalsContact C-N 3.34Å; L656-S658 PolarHBondContact O-N 3.27Å; L656-I660 HydrophobicContact CB-CD1 4.29Å; L656-I660 WeakPolarHBondContact O-CB 3.33Å; L656-I660 VanDerWaalsContact O-CD1 3.32Å; L656-I660 WeakPolarHBondContact O-CD1 3.38Å; L656-I660 WeakPolarHBondContact O-CG1 3.45Å; L656-I660 PolarHBondContact O-N 3.4Å |
| 657 | E | 43.9 | Very low | 50.7 | Low | 93 Ų | 93 | 105.3 Ų | 105.3 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -35.9 | 172.9 | -78.1 | -176.4 | 168.7 | 0 | 0 | 112 | H653 Q661 Y785 | H653-E657 VanDerWaalsContact O-CB 3.26Å; H653-E657 WeakPolarHBondContact O-CB 3.45Å; H653-E657 VanDerWaalsContact O-CG 3.32Å; H653-E657 WeakPolarHBondContact O-CG 3.12Å; H653-E657 PolarHBondContact O-N 3.36Å; E657-Q661 VanDerWaalsContact O-CG 3.28Å; E657-Q661 WeakPolarHBondContact O-CG 3.39Å; E657-Q661 PolarHBondContact O-N 3.15Å; E657-Y785 VanDerWaalsContact CD-OH 3.28Å; E657-Y785 PolarHBondContact OE1-OH 2.69Å; E657-Y785 WeakPolarHBondContact OE2-CE2 3.4Å; E657-Y785 PolarHBondContact OE2-OH 2.73Å |
| 658 | S | 44.6 | Very low | 49.1 | Very low | 43 Ų | 43 | 104 Ų | 104 | 30% | 0.301 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -77.3 | -43.2 | 174 | 82.6 | 0 | 0 | 0 | 0 | 112.8 | S654 M655 L656 Q661 E662 | S654-S658 VanDerWaalsContact O-CB 3.31Å; S654-S658 WeakPolarHBondContact O-CB 3.14Å; S654-S658 PolarHBondContact O-N 3.19Å; S654-S658 PolarHBondContact O-OG 2.87Å; M655-S658 PolarHBondContact O-OG 3.17Å; L656-S658 VanDerWaalsContact C-N 3.34Å; L656-S658 PolarHBondContact O-N 3.27Å; S658-Q661 CarbonylContact O-C 3.59Å; S658-Q661 VanDerWaalsContact O-CA 3.31Å; S658-Q661 WeakPolarHBondContact O-CA 3.41Å; S658-Q661 WeakPolarHBondContact O-CB 3.46Å; S658-Q661 PolarHBondContact O-N 2.69Å; S658-E662 WeakPolarHBondContact O-CB 3.33Å; S658-E662 WeakPolarHBondContact O-CG 3.35Å; S658-E662 PolarHBondContact O-N 2.66Å |
| 659 | M | 48.7 | Very low | 47.2 | Very low | 87 Ų | 87 | 108 Ų | 108 | 43% | 0.429 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72 | -28.9 | 178 | -66.8 | 179.3 | 75.5 | 0 | 0 | 112.6 | M655 Q661 E662 E663 | M655-M659 WeakPolarHBondContact O-CA 3.34Å; M655-M659 WeakPolarHBondContact O-CB 3.45Å; M655-M659 WeakPolarHBondContact O-CG 3.34Å; M655-M659 PolarHBondContact O-N 2.97Å; M659-Q661 PolarHBondContact O-N 3.37Å; M659-E662 PolarHBondContact O-N 3.25Å; M659-E663 HydrophobicContact CB-CG 4.46Å; M659-E663 HydrophobicContact CE-CG 4.22Å; M659-E663 WeakPolarHBondContact O-CB 3.28Å; M659-E663 PolarHBondContact O-N 2.77Å |
| 660 | I | 48.1 | Very low | 45.6 | Very low | 109 Ų | 109 | 110.6 Ų | 110.6 | 56% | 0.559 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -20 | 167.3 | -67.4 | 166.2 | 0 | 0 | 0 | 110.7 | L656 I664 | L656-I660 HydrophobicContact CB-CD1 4.29Å; L656-I660 WeakPolarHBondContact O-CB 3.33Å; L656-I660 VanDerWaalsContact O-CD1 3.32Å; L656-I660 WeakPolarHBondContact O-CD1 3.38Å; L656-I660 WeakPolarHBondContact O-CG1 3.45Å; L656-I660 PolarHBondContact O-N 3.4Å; I660-I664 HydrophobicContact CG2-CD1 4.46Å; I660-I664 VanDerWaalsContact O-CD1 3.32Å; I660-I664 WeakPolarHBondContact O-CD1 3.21Å; I660-I664 WeakPolarHBondContact O-CG1 3.26Å |
| 661 | Q | 43.4 | Very low | 44.1 | Very low | 158 Ų | 158 | 110.3 Ų | 110.3 | 74% | 0.738 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -91.9 | -21 | 170.8 | -71.1 | 179.9 | 7.2 | 0 | 0 | 114.3 | E657 S658 M659 | E657-Q661 VanDerWaalsContact O-CG 3.28Å; E657-Q661 WeakPolarHBondContact O-CG 3.39Å; E657-Q661 PolarHBondContact O-N 3.15Å; S658-Q661 CarbonylContact O-C 3.59Å; S658-Q661 VanDerWaalsContact O-CA 3.31Å; S658-Q661 WeakPolarHBondContact O-CA 3.41Å; S658-Q661 WeakPolarHBondContact O-CB 3.46Å; S658-Q661 PolarHBondContact O-N 2.69Å; M659-Q661 PolarHBondContact O-N 3.37Å |
| 662 | E | 40.6 | Very low | 42.6 | Very low | 132 Ų | 132 | 113.6 Ų | 113.6 | 62% | 0.617 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -109.1 | -32.6 | -175.8 | -69.3 | -177.4 | 144.1 | 0 | 0 | 114.7 | S658 M659 I664 V665 S666 | S658-E662 WeakPolarHBondContact O-CB 3.33Å; S658-E662 WeakPolarHBondContact O-CG 3.35Å; S658-E662 PolarHBondContact O-N 2.66Å; M659-E662 PolarHBondContact O-N 3.25Å; E662-I664 VanDerWaalsContact C-N 3.3Å; E662-I664 PolarHBondContact O-N 3.14Å; E662-V665 CarbonylContact O-C 3.55Å; E662-V665 PolarHBondContact O-N 2.77Å; E662-V665 VanDerWaalsContact O-O 3.1Å; E662-S666 PolarHBondContact O-N 3.36Å |
| 663 | E | 39.4 | Very low | 41.3 | Very low | 156 Ų | 156 | 112.8 Ų | 112.8 | 73% | 0.729 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -76 | -16 | 175.4 | -72.6 | -159.7 | 116.5 | 0 | 0 | 113.3 | M659 | M659-E663 HydrophobicContact CB-CG 4.46Å; M659-E663 HydrophobicContact CE-CG 4.22Å; M659-E663 WeakPolarHBondContact O-CB 3.28Å; M659-E663 PolarHBondContact O-N 2.77Å |
| 664 | I | 46 | Very low | 40.2 | Very low | 133 Ų | 133 | 113.2 Ų | 113.2 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -77.7 | -30.3 | 173.9 | -62.2 | -174.4 | 0 | 0 | 0 | 111.1 | I660 E662 | I660-I664 HydrophobicContact CG2-CD1 4.46Å; I660-I664 VanDerWaalsContact O-CD1 3.32Å; I660-I664 WeakPolarHBondContact O-CD1 3.21Å; I660-I664 WeakPolarHBondContact O-CG1 3.26Å; E662-I664 VanDerWaalsContact C-N 3.3Å; E662-I664 PolarHBondContact O-N 3.14Å |
| 665 | V | 37.6 | Very low | 39.5 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -153.8 | 112 | 171.6 | -167.8 | 0 | 0 | 0 | 0 | 109.7 | E662 | E662-V665 CarbonylContact O-C 3.55Å; E662-V665 PolarHBondContact O-N 2.77Å; E662-V665 VanDerWaalsContact O-O 3.1Å |
| 666 | S | 31.6 | Very low | 38.7 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | cis | -171.2 | 129.6 | -1.9 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | E662 | E662-S666 PolarHBondContact O-N 3.36Š| ||
| 667 | G | 32.3 | Very low | 38 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | trans | 100.1 | 128.5 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 668 | A | 33.6 | Very low | 38.2 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | trans | 72 | 125.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 669 | E | 34.1 | Very low | 38.6 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | trans | 66.3 | 124.5 | 145.3 | -62.8 | 168.2 | -150.9 | 0 | 0 | 118.3 | ||||
| 670 | H | 34.7 | Very low | 39.7 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | cis | -156.5 | 143.2 | 3.8 | -107.3 | -58 | 0 | 0 | 0 | 112.8 | ||||
| 671 | S | 32.2 | Very low | 40.8 | Very low | 88 Ų | 88 | 135.4 Ų | 135.4 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | trans | 57.6 | 118.6 | 146.3 | 63 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 672 | E | 31.9 | Very low | 42.3 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | 78.5 | 138.6 | 126.4 | -69.2 | 174.2 | -152.7 | 0 | 0 | 120.4 | |||||
| 673 | T | 35.2 | Very low | 43.9 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 64% | 0.644 | 71% | 0.709 | S | S | * | * | cis | -153.7 | 149 | 1 | 18.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 674 | I | 33.9 | Very low | 45.4 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 67% | 0.667 | 70% | 0.699 | S | S | * | * | trans | 46 | 120.2 | 137.3 | -55.2 | 172 | 0 | 0 | 0 | 117.4 | ||||
| 675 | Y | 34.3 | Very low | 46.7 | Very low | 226 Ų | 226 | 135.4 Ų | 135.4 | 89% | 0.886 | 70% | 0.696 | S | S | * | * | -140 | 130.1 | 61.7 | -84.3 | -90.7 | 0 | 0 | 0 | 114.6 | |||||
| 676 | K | 35.4 | Very low | 48.4 | Very low | 204 Ų | 204 | 134.5 Ų | 134.5 | 89% | 0.887 | 69% | 0.687 | S | S | * | * | trans | -97.5 | 114.9 | 163.4 | -80.2 | -178.3 | 173.9 | 176.1 | 0 | 110.2 | ||||
| 677 | C | 36.3 | Very low | 50 | Low | 104 Ų | 104 | 131.1 Ų | 131.1 | 70% | 0.703 | 67% | 0.665 | S | S | * | * | trans | -79.3 | 122.5 | 162.6 | -168.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 678 | K | 48.3 | Very low | 52 | Low | 195 Ų | 195 | 134.3 Ų | 134.3 | 85% | 0.848 | 65% | 0.653 | S | S | * | * | trans | -91.6 | 98.7 | 176.2 | -71.8 | -175.3 | 178.7 | -178.6 | 0 | 109.6 | ||||
| 679 | W | 53.3 | Low | 54 | Low | 156 Ų | 156 | 137.4 Ų | 137.4 | 59% | 0.591 | 65% | 0.647 | S | S | * | * | trans | -76.8 | 126.5 | 164.7 | -55.8 | 70.7 | 0 | 0 | 0 | 108 | E683 A687 | W679-E683 HydrophobicContact CB-CB 4.27Å; W679-E683 HydrophobicContact CE3-CB 4.02Å; W679-A687 HydrophobicContact CE3-CB 3.76Å; W679-A687 HydrophobicContact CH2-CB 4Å; W679-A687 HydrophobicContact CZ3-CB 3.47Å; W679-A687 VanDerWaalsContact CZ3-CB 3.47Å | ||
| 680 | G | 71.1 | Confident | 55.6 | Low | 36 Ų | 36 | 132.7 Ų | 132.7 | 37% | 0.371 | 63% | 0.629 | S | S | . | * | trans | -74.4 | 164.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R682 E683 Y684 | G680-R682 VanDerWaalsContact C-N 3.3Å; G680-R682 PolarHBondContact O-N 3.45Å; G680-R682 VanDerWaalsContact O-N 3.14Å; G680-E683 PolarHBondContact N-OE2 2.89Å; G680-E683 CarbonylContact O-C 3.59Å; G680-E683 WeakPolarHBondContact O-CA 3.38Å; G680-E683 WeakPolarHBondContact O-CB 3.38Å; G680-E683 PolarHBondContact O-N 3.37Å; G680-Y684 PolarHBondContact O-N 3.29Å | ||
| 681 | D | 72.4 | Confident | 57.2 | Low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -52 | -44.8 | -171.4 | -57.1 | -40 | 0 | 0 | 0 | 113.5 | E683 Y684 E685 | D681-E683 VanDerWaalsContact C-N 3.33Å; D681-E683 PolarHBondContact O-N 2.75Å; D681-Y684 PolarHBondContact O-N 3Å; D681-E685 WeakPolarHBondContact O-CB 3.35Å; D681-E685 WeakPolarHBondContact O-CG 3.34Å; D681-E685 PolarHBondContact O-N 3.24Å |
| 682 | R | 74.5 | Confident | 58.9 | Low | 202 Ų | 202 | 130.7 Ų | 130.7 | 76% | 0.762 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.4 | -39.8 | 175.5 | -178.2 | -176.8 | 178.6 | -156.6 | -0.7 | 112.6 | G680 L686 | G680-R682 VanDerWaalsContact C-N 3.3Å; G680-R682 PolarHBondContact O-N 3.45Å; G680-R682 VanDerWaalsContact O-N 3.14Å; R682-L686 WeakPolarHBondContact O-CB 3.49Å; R682-L686 PolarHBondContact O-N 3.49Å |
| 683 | E | 74.2 | Confident | 60.6 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.3 | -37.9 | -178.7 | -59.2 | 168.6 | 153.1 | 0 | 0 | 110.2 | W679 G680 D681 L686 A687 | W679-E683 HydrophobicContact CB-CB 4.27Å; W679-E683 HydrophobicContact CE3-CB 4.02Å; G680-E683 PolarHBondContact N-OE2 2.89Å; G680-E683 CarbonylContact O-C 3.59Å; G680-E683 WeakPolarHBondContact O-CA 3.38Å; G680-E683 WeakPolarHBondContact O-CB 3.38Å; G680-E683 PolarHBondContact O-N 3.37Å; D681-E683 VanDerWaalsContact C-N 3.33Å; D681-E683 PolarHBondContact O-N 2.75Å; E683-L686 PolarHBondContact O-N 2.84Å; E683-A687 VanDerWaalsContact O-CB 3.28Å; E683-A687 WeakPolarHBondContact O-CB 3.31Å; E683-A687 PolarHBondContact O-N 2.72Å |
| 684 | Y | 70.9 | Confident | 62 | Low | 136 Ų | 136 | 127 Ų | 127 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.9 | -40.8 | 171.6 | 179.7 | -97.5 | 0 | 0 | 0 | 111.8 | G680 D681 A687 R688 | G680-Y684 PolarHBondContact O-N 3.29Å; D681-Y684 PolarHBondContact O-N 3Å; Y684-A687 PolarHBondContact O-N 2.78Å; Y684-R688 WeakPolarHBondContact O-CB 3.4Å; Y684-R688 PolarHBondContact O-N 3.32Å |
| 685 | E | 73.8 | Confident | 63.5 | Low | 132 Ų | 132 | 123.1 Ų | 123.1 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65 | -40.2 | 171.2 | -77.9 | -164.3 | 150.8 | 0 | 0 | 112.3 | D681 R688 W689 | D681-E685 WeakPolarHBondContact O-CB 3.35Å; D681-E685 WeakPolarHBondContact O-CG 3.34Å; D681-E685 PolarHBondContact O-N 3.24Å; E685-R688 PolarHBondContact O-N 2.94Å; E685-W689 WeakPolarHBondContact O-CB 3.34Å; E685-W689 PolarHBondContact O-N 3.44Å |
| 686 | L | 72 | Confident | 64.9 | Low | 89 Ų | 89 | 116 Ų | 116 | 47% | 0.466 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 175.8 | -125.9 | 147.8 | 0 | 0 | 0 | 111.4 | R682 E683 W689 V690 | R682-L686 WeakPolarHBondContact O-CB 3.49Å; R682-L686 PolarHBondContact O-N 3.49Å; E683-L686 PolarHBondContact O-N 2.84Å; L686-W689 PolarHBondContact O-N 2.81Å; L686-V690 HydrophobicContact CD2-CG2 4.23Å; L686-V690 WeakPolarHBondContact O-CB 3.44Å; L686-V690 VanDerWaalsContact O-CG2 3.32Å; L686-V690 WeakPolarHBondContact O-CG2 3.27Å; L686-V690 PolarHBondContact O-N 3.35Å |
| 687 | A | 66.1 | Low | 66.3 | Low | 29 Ų | 29 | 107.1 Ų | 107.1 | 24% | 0.24 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60.2 | -50.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W679 E683 Y684 W689 V690 F691 | W679-A687 HydrophobicContact CE3-CB 3.76Å; W679-A687 HydrophobicContact CH2-CB 4Å; W679-A687 HydrophobicContact CZ3-CB 3.47Å; W679-A687 VanDerWaalsContact CZ3-CB 3.47Å; E683-A687 VanDerWaalsContact O-CB 3.28Å; E683-A687 WeakPolarHBondContact O-CB 3.31Å; E683-A687 PolarHBondContact O-N 2.72Å; Y684-A687 PolarHBondContact O-N 2.78Å; A687-W689 VanDerWaalsContact C-N 3.3Å; A687-W689 PolarHBondContact O-N 2.73Å; A687-V690 PolarHBondContact O-N 2.72Å; A687-F691 WeakPolarHBondContact O-CB 3.45Å; A687-F691 PolarHBondContact O-N 2.69Å |
| 688 | R | 74.3 | Confident | 67.7 | Low | 144 Ų | 144 | 105.8 Ų | 105.8 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -35 | 177.9 | -174.1 | 176.4 | -179.7 | -169.1 | 0.2 | 111.8 | Y684 E685 N692 | Y684-R688 WeakPolarHBondContact O-CB 3.4Å; Y684-R688 PolarHBondContact O-N 3.32Å; E685-R688 PolarHBondContact O-N 2.94Å; R688-N692 WeakPolarHBondContact O-CB 3.25Å; R688-N692 PolarHBondContact O-N 2.64Å; R688-N692 PolarHBondContact O-ND2 3.1Å; R688-N692 VanDerWaalsContact O-ND2 3.14Å |
| 689 | W | 74.6 | Confident | 68.7 | Low | 153 Ų | 153 | 100.5 Ų | 100.5 | 58% | 0.58 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -72 | -46.3 | 175.2 | 179.8 | 87.7 | 0 | 0 | 0 | 112.1 | E685 L686 A687 K693 | E685-W689 WeakPolarHBondContact O-CB 3.34Å; E685-W689 PolarHBondContact O-N 3.44Å; L686-W689 PolarHBondContact O-N 2.81Å; A687-W689 VanDerWaalsContact C-N 3.3Å; A687-W689 PolarHBondContact O-N 2.73Å; W689-K693 HydrophobicContact CH2-CD 3.79Å; W689-K693 HydrophobicContact CZ2-CD 3.73Å; W689-K693 HydrophobicContact CZ3-CD 4.25Å; W689-K693 WeakPolarHBondContact O-CB 3.31Å; W689-K693 PolarHBondContact O-N 2.81Å |
| 690 | V | 67.7 | Low | 69.3 | Low | 68 Ų | 68 | 96 Ų | 96 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L686 A687 K693 W694 | L686-V690 HydrophobicContact CD2-CG2 4.23Å; L686-V690 WeakPolarHBondContact O-CB 3.44Å; L686-V690 VanDerWaalsContact O-CG2 3.32Å; L686-V690 WeakPolarHBondContact O-CG2 3.27Å; L686-V690 PolarHBondContact O-N 3.35Å; A687-V690 PolarHBondContact O-N 2.72Å; V690-K693 CarbonylContact O-C 3.57Å; V690-K693 WeakPolarHBondContact O-CB 3.22Å; V690-K693 PolarHBondContact O-N 3.05Å; V690-W694 WeakPolarHBondContact O-CB 3.32Å; V690-W694 PolarHBondContact O-N 3.33Å |
| 691 | F | 68.3 | Low | 69.3 | Low | 131 Ų | 131 | 96.9 Ų | 96.9 | 58% | 0.575 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.3 | -43.7 | 178.8 | -172.4 | -109.3 | 0 | 0 | 0 | 111.8 | A687 K693 W694 I695 | A687-F691 WeakPolarHBondContact O-CB 3.45Å; A687-F691 PolarHBondContact O-N 2.69Å; F691-K693 VanDerWaalsContact C-N 3.29Å; F691-K693 PolarHBondContact O-N 2.92Å; F691-W694 PolarHBondContact O-N 3.02Å; F691-I695 HydrophobicContact CD1-CD1 3.79Å; F691-I695 HydrophobicContact CE1-CD1 3.43Å; F691-I695 VanDerWaalsContact CE1-CD1 3.43Å; F691-I695 HydrophobicContact CE2-CD1 4.4Å; F691-I695 HydrophobicContact CG-CD1 4.42Å; F691-I695 HydrophobicContact CZ-CD1 3.78Å; F691-I695 WeakPolarHBondContact O-CB 3.47Å; F691-I695 WeakPolarHBondContact O-CG1 3.4Å; F691-I695 PolarHBondContact O-N 3.32Å |
| 692 | N | 69.3 | Low | 69.4 | Low | 74 Ų | 74 | 90.6 Ų | 90.6 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 169.2 | -76 | -20.1 | 0 | 0 | 0 | 111.2 | R688 N696 | R688-N692 WeakPolarHBondContact O-CB 3.25Å; R688-N692 PolarHBondContact O-N 2.64Å; R688-N692 PolarHBondContact O-ND2 3.1Å; R688-N692 VanDerWaalsContact O-ND2 3.14Å; N692-N696 WeakPolarHBondContact O-CB 3.47Å; N692-N696 PolarHBondContact O-N 2.73Å; N692-N696 PolarHBondContact O-ND2 3.03Å; N692-N696 PolarHBondContact O-OD1 3.27Å |
| 693 | K | 67.4 | Low | 69.4 | Low | 82 Ų | 82 | 85.9 Ų | 85.9 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 173.3 | -104.4 | -172.4 | 167.6 | -78.4 | 0 | 112 | W689 V690 F691 I695 N696 H697 | W689-K693 HydrophobicContact CH2-CD 3.79Å; W689-K693 HydrophobicContact CZ2-CD 3.73Å; W689-K693 HydrophobicContact CZ3-CD 4.25Å; W689-K693 WeakPolarHBondContact O-CB 3.31Å; W689-K693 PolarHBondContact O-N 2.81Å; V690-K693 CarbonylContact O-C 3.57Å; V690-K693 WeakPolarHBondContact O-CB 3.22Å; V690-K693 PolarHBondContact O-N 3.05Å; F691-K693 VanDerWaalsContact C-N 3.29Å; F691-K693 PolarHBondContact O-N 2.92Å; K693-I695 VanDerWaalsContact C-N 3.32Å; K693-I695 PolarHBondContact O-N 2.81Å; K693-N696 PolarHBondContact O-N 2.75Å; K693-H697 PolarHBondContact NZ-NE2 2.83Å; K693-H697 VanDerWaalsContact O-CB 3.26Å; K693-H697 WeakPolarHBondContact O-CB 3.11Å; K693-H697 PolarHBondContact O-CD2 2.65Å; K693-H697 PolarHBondContact O-N 2.68Å |
| 694 | W | 63.5 | Low | 69.3 | Low | 125 Ų | 125 | 84.2 Ų | 84.2 | 47% | 0.473 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 178.6 | -167.4 | -58.4 | 0 | 0 | 0 | 111.4 | V690 F691 Q698 F699 T700 | V690-W694 WeakPolarHBondContact O-CB 3.32Å; V690-W694 PolarHBondContact O-N 3.33Å; F691-W694 PolarHBondContact O-N 3.02Å; W694-Q698 PolarHBondContact O-N 2.84Å; W694-Q698 VanDerWaalsContact O-N 3.13Å; W694-F699 HydrophobicContact CB-CD2 4.5Å; W694-F699 HydrophobicContact CD2-CB 4.46Å; W694-F699 HydrophobicContact CG-CB 4.36Å; W694-F699 HydrophobicContact CG-CD2 4.41Å; W694-F699 PolarHBondContact O-N 2.83Å; W694-F699 VanDerWaalsContact O-N 3.08Å; W694-T700 PolarHBondContact NE1-OG1 2.96Å |
| 695 | I | 66.1 | Low | 69.4 | Low | 47 Ų | 47 | 81.1 Ų | 81.1 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.1 | -51.9 | 174.2 | -73.1 | 176.2 | 0 | 0 | 0 | 111.1 | F691 K693 H697 Q698 Y793 | F691-I695 HydrophobicContact CD1-CD1 3.79Å; F691-I695 HydrophobicContact CE1-CD1 3.43Å; F691-I695 VanDerWaalsContact CE1-CD1 3.43Å; F691-I695 HydrophobicContact CE2-CD1 4.4Å; F691-I695 HydrophobicContact CG-CD1 4.42Å; F691-I695 HydrophobicContact CZ-CD1 3.78Å; F691-I695 WeakPolarHBondContact O-CB 3.47Å; F691-I695 WeakPolarHBondContact O-CG1 3.4Å; F691-I695 PolarHBondContact O-N 3.32Å; K693-I695 VanDerWaalsContact C-N 3.32Å; K693-I695 PolarHBondContact O-N 2.81Å; I695-H697 PolarHBondContact O-N 2.91Å; I695-Q698 WeakPolarHBondContact O-CA 3.28Å; I695-Q698 PolarHBondContact O-N 2.84Å; I695-Y793 HydrophobicContact CG2-CE1 3.79Å |
| 696 | N | 63.2 | Low | 69.6 | Low | 77 Ų | 77 | 77.1 Ų | 77.1 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.4 | -29.9 | -176.2 | -66.9 | -2.6 | 0 | 0 | 0 | 113.6 | N692 K693 Q698 | N692-N696 WeakPolarHBondContact O-CB 3.47Å; N692-N696 PolarHBondContact O-N 2.73Å; N692-N696 PolarHBondContact O-ND2 3.03Å; N692-N696 PolarHBondContact O-OD1 3.27Å; K693-N696 PolarHBondContact O-N 2.75Å; N696-Q698 VanDerWaalsContact C-N 3.33Å |
| 697 | H | 66 | Low | 69.6 | Low | 18 Ų | 18 | 81.9 Ų | 81.9 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3 | 171.5 | -66.9 | -68.3 | 0 | 0 | 0 | 112.7 | K693 I695 F699 L702 S800 T801 | K693-H697 PolarHBondContact NZ-NE2 2.83Å; K693-H697 VanDerWaalsContact O-CB 3.26Å; K693-H697 WeakPolarHBondContact O-CB 3.11Å; K693-H697 PolarHBondContact O-CD2 2.65Å; K693-H697 PolarHBondContact O-N 2.68Å; I695-H697 PolarHBondContact O-N 2.91Å; H697-F699 HydrophobicContact CB-CD1 3.89Å; H697-F699 HydrophobicContact CB-CD2 4.03Å; H697-F699 HydrophobicContact CB-CE1 3.61Å; H697-F699 HydrophobicContact CB-CE2 3.74Å; H697-F699 HydrophobicContact CB-CG 4.08Å; H697-F699 HydrophobicContact CB-CZ 3.52Å; H697-F699 AromaticContact CG-CZ 3.81Å; H697-F699 PolarHBondContact O-N 2.86Å; H697-L702 WeakPolarHBondContact O-CD1 3.26Å; H697-S800 PolarHBondContact CE1-OG 2.91Å; H697-S800 VanDerWaalsContact CE1-OG 3.26Å; H697-S800 PolarHBondContact ND1-OG 2.9Å; H697-T801 PolarHBondContact ND1-OG1 2.76Å |
| 698 | Q | 65.2 | Low | 70 | Confident | 76 Ų | 76 | 87.4 Ų | 87.4 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 31.8 | 178.1 | -57.2 | -177.5 | -1.1 | 0 | 0 | 114.1 | W694 I695 N696 T700 S701 L702 | W694-Q698 PolarHBondContact O-N 2.84Å; W694-Q698 VanDerWaalsContact O-N 3.13Å; I695-Q698 WeakPolarHBondContact O-CA 3.28Å; I695-Q698 PolarHBondContact O-N 2.84Å; N696-Q698 VanDerWaalsContact C-N 3.33Å; Q698-T700 PolarHBondContact O-N 2.93Å; Q698-S701 PolarHBondContact O-N 2.95Å; Q698-L702 HydrophobicContact CB-CG 4.48Å; Q698-L702 PolarHBondContact O-N 2.91Å |
| 699 | F | 68.7 | Low | 70.4 | Confident | 83 Ų | 83 | 80.6 Ų | 80.6 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.1 | -29 | -165.4 | -74.9 | -42.8 | 0 | 0 | 0 | 114.3 | W694 H697 R703 | W694-F699 HydrophobicContact CB-CD2 4.5Å; W694-F699 HydrophobicContact CD2-CB 4.46Å; W694-F699 HydrophobicContact CG-CB 4.36Å; W694-F699 HydrophobicContact CG-CD2 4.41Å; W694-F699 PolarHBondContact O-N 2.83Å; W694-F699 VanDerWaalsContact O-N 3.08Å; H697-F699 HydrophobicContact CB-CD1 3.89Å; H697-F699 HydrophobicContact CB-CD2 4.03Å; H697-F699 HydrophobicContact CB-CE1 3.61Å; H697-F699 HydrophobicContact CB-CE2 3.74Å; H697-F699 HydrophobicContact CB-CG 4.08Å; H697-F699 HydrophobicContact CB-CZ 3.52Å; H697-F699 AromaticContact CG-CZ 3.81Å; H697-F699 PolarHBondContact O-N 2.86Å; F699-R703 WeakPolarHBondContact O-CB 3.28Å; F699-R703 PolarHBondContact O-N 3.15Å |
| 700 | T | 66.7 | Low | 70.7 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 173.2 | -23.9 | 0 | 0 | 0 | 0 | 111.5 | W694 Q698 R703 D704 | W694-T700 PolarHBondContact NE1-OG1 2.96Å; Q698-T700 PolarHBondContact O-N 2.93Å; T700-R703 WeakPolarHBondContact O-CB 3.33Å; T700-R703 PolarHBondContact O-N 2.93Å; T700-D704 WeakPolarHBondContact O-CB 3.27Å; T700-D704 PolarHBondContact O-N 3.38Å |
| 701 | S | 70.4 | Confident | 71.3 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | Q698 R703 D704 Q705 | Q698-S701 PolarHBondContact O-N 2.95Å; S701-R703 VanDerWaalsContact C-N 3.32Å; S701-R703 PolarHBondContact O-N 2.83Å; S701-D704 PolarHBondContact O-N 3.3Å; S701-Q705 WeakPolarHBondContact O-CG 3.18Å; S701-Q705 PolarHBondContact O-N 2.73Å |
| 702 | L | 75.4 | Confident | 72.3 | Confident | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 174.9 | -65.4 | -179 | 0 | 0 | 0 | 112.3 | H697 Q698 L706 L733 T801 L803 | H697-L702 WeakPolarHBondContact O-CD1 3.26Å; Q698-L702 HydrophobicContact CB-CG 4.48Å; Q698-L702 PolarHBondContact O-N 2.91Å; L702-L706 WeakPolarHBondContact O-CB 3.47Å; L702-L706 PolarHBondContact O-N 3.4Å; L702-L706 VanDerWaalsContact O-N 3.07Å; L702-L733 HydrophobicContact CB-CD2 4.37Å; L702-L733 HydrophobicContact CD1-CD2 4.08Å; L702-T801 HydrophobicContact CD1-CG2 3.68Å; L702-L803 HydrophobicContact CD2-CB 4.16Å |
| 703 | R | 72.7 | Confident | 73.3 | Confident | 103 Ų | 103 | 72.7 Ų | 72.7 | 39% | 0.389 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 171.6 | 178.7 | -159.1 | 69.8 | -165.4 | -5.2 | 110.8 | F699 T700 S701 L706 W707 | F699-R703 WeakPolarHBondContact O-CB 3.28Å; F699-R703 PolarHBondContact O-N 3.15Å; T700-R703 WeakPolarHBondContact O-CB 3.33Å; T700-R703 PolarHBondContact O-N 2.93Å; S701-R703 VanDerWaalsContact C-N 3.32Å; S701-R703 PolarHBondContact O-N 2.83Å; R703-L706 WeakPolarHBondContact O-CA 3.43Å; R703-L706 WeakPolarHBondContact O-CB 3.36Å; R703-L706 PolarHBondContact O-N 3.43Å; R703-L706 VanDerWaalsContact O-N 3.11Å; R703-W707 VanDerWaalsContact O-CD1 3.31Å; R703-W707 PolarHBondContact O-N 2.91Å |
| 704 | D | 72.2 | Confident | 74.2 | Confident | 74 Ų | 74 | 76.4 Ų | 76.4 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.3 | -39.6 | -173.6 | -64.9 | -18.9 | 0 | 0 | 0 | 110.8 | T700 S701 L706 W707 E708 | T700-D704 WeakPolarHBondContact O-CB 3.27Å; T700-D704 PolarHBondContact O-N 3.38Å; S701-D704 PolarHBondContact O-N 3.3Å; D704-L706 VanDerWaalsContact C-N 3.33Å; D704-L706 PolarHBondContact O-N 3.02Å; D704-W707 PolarHBondContact O-N 3.43Å; D704-E708 VanDerWaalsContact O-CB 3.3Å; D704-E708 WeakPolarHBondContact O-CB 3.07Å; D704-E708 PolarHBondContact O-N 2.81Å |
| 705 | Q | 73.3 | Confident | 75.4 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 166.9 | -72.7 | 179.4 | -22.3 | 0 | 0 | 113 | S701 W707 N709 L803 | S701-Q705 WeakPolarHBondContact O-CG 3.18Å; S701-Q705 PolarHBondContact O-N 2.73Å; Q705-W707 PolarHBondContact O-N 2.75Å; Q705-N709 WeakPolarHBondContact O-CB 3.01Å; Q705-N709 PolarHBondContact O-N 2.79Å; Q705-N709 VanDerWaalsContact O-N 3.14Å; Q705-N709 PolarHBondContact O-ND2 3.18Å; Q705-L803 HydrophobicContact CB-CD2 3.94Å |
| 706 | L | 78.8 | Confident | 76.5 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 176.9 | -122 | 162.5 | 0 | 0 | 0 | 112 | L702 R703 D704 A710 F731 L803 | L702-L706 WeakPolarHBondContact O-CB 3.47Å; L702-L706 PolarHBondContact O-N 3.4Å; L702-L706 VanDerWaalsContact O-N 3.07Å; R703-L706 WeakPolarHBondContact O-CA 3.43Å; R703-L706 WeakPolarHBondContact O-CB 3.36Å; R703-L706 PolarHBondContact O-N 3.43Å; R703-L706 VanDerWaalsContact O-N 3.11Å; D704-L706 VanDerWaalsContact C-N 3.33Å; D704-L706 PolarHBondContact O-N 3.02Å; L706-A710 WeakPolarHBondContact O-CB 3.22Å; L706-A710 PolarHBondContact O-N 2.74Å; L706-F731 HydrophobicContact CD2-CB 3.83Å; L706-F731 HydrophobicContact CD2-CD1 3.92Å; L706-F731 HydrophobicContact CD2-CD2 3.48Å; L706-F731 VanDerWaalsContact CD2-CD2 3.48Å; L706-F731 HydrophobicContact CD2-CE1 4.31Å; L706-F731 HydrophobicContact CD2-CE2 3.94Å; L706-F731 HydrophobicContact CD2-CG 3.47Å; L706-F731 VanDerWaalsContact CD2-CG 3.47Å; L706-F731 HydrophobicContact CD2-CZ 4.32Å; L706-F731 HydrophobicContact CG-CD1 4.42Å; L706-F731 HydrophobicContact CG-CG 4.36Å; L706-L803 HydrophobicContact CB-CD2 4.17Å; L706-L803 HydrophobicContact CD1-CD1 4.06Å; L706-L803 HydrophobicContact CG-CD1 3.83Å; L706-L803 HydrophobicContact CG-CD2 3.87Å |
| 707 | W | 72.6 | Confident | 77.9 | Confident | 189 Ų | 189 | 68.8 Ų | 68.8 | 72% | 0.716 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.4 | -43.7 | 179.1 | -85.3 | 66.8 | 0 | 0 | 0 | 112.2 | R703 D704 Q705 N709 A710 | R703-W707 VanDerWaalsContact O-CD1 3.31Å; R703-W707 PolarHBondContact O-N 2.91Å; D704-W707 PolarHBondContact O-N 3.43Å; Q705-W707 PolarHBondContact O-N 2.75Å; W707-N709 PolarHBondContact O-N 2.74Å; W707-A710 PolarHBondContact O-N 2.75Å |
| 708 | E | 73.8 | Confident | 78.9 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.1 | -32.6 | 177.2 | -174.2 | 170.2 | -134.1 | 0 | 0 | 112.4 | D704 | D704-E708 VanDerWaalsContact O-CB 3.3Å; D704-E708 WeakPolarHBondContact O-CB 3.07Å; D704-E708 PolarHBondContact O-N 2.81Å |
| 709 | N | 81.6 | Confident | 80 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.011 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -0.4 | -177 | -69.8 | -92.9 | 0 | 0 | 0 | 114.5 | Q705 W707 V711 Y712 L713 F731 L820 Q824 | Q705-N709 WeakPolarHBondContact O-CB 3.01Å; Q705-N709 PolarHBondContact O-N 2.79Å; Q705-N709 VanDerWaalsContact O-N 3.14Å; Q705-N709 PolarHBondContact O-ND2 3.18Å; W707-N709 PolarHBondContact O-N 2.74Å; N709-V711 PolarHBondContact O-N 3.11Å; N709-V711 VanDerWaalsContact O-N 3.12Å; N709-Y712 HydrophobicContact CB-CD2 4.23Å; N709-Y712 PolarHBondContact O-N 3.38Å; N709-L713 PolarHBondContact O-N 2.78Å; N709-F731 HydrophobicContact CB-CE1 4.14Å; N709-F731 HydrophobicContact CB-CZ 3.99Å; N709-L820 HydrophobicContact CB-CD1 4.04Å; N709-L820 WeakPolarHBondContact ND2-CD2 3.25Å; N709-Q824 PolarHBondContact OD1-NE2 2.73Å |
| 710 | A | 81.6 | Confident | 81 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64 | -20.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L706 W707 | L706-A710 WeakPolarHBondContact O-CB 3.22Å; L706-A710 PolarHBondContact O-N 2.74Å; W707-A710 PolarHBondContact O-N 2.75Å |
| 711 | V | 81.1 | Confident | 82 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 61% | 0.606 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.7 | -53.4 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | N709 L713 K714 E715 | N709-V711 PolarHBondContact O-N 3.11Å; N709-V711 VanDerWaalsContact O-N 3.12Å; V711-L713 VanDerWaalsContact C-N 3.26Å; V711-L713 PolarHBondContact O-N 3.09Å; V711-K714 WeakPolarHBondContact O-CB 3.27Å; V711-K714 PolarHBondContact O-N 2.65Å; V711-E715 PolarHBondContact O-N 3.04Å |
| 712 | Y | 88.3 | Confident | 82.7 | Confident | 98 Ų | 98 | 69 Ų | 69 | 38% | 0.384 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.6 | -38.1 | -179.5 | -58 | -47.1 | 0 | 0 | 0 | 113.1 | N709 E715 A716 F823 L827 | N709-Y712 HydrophobicContact CB-CD2 4.23Å; N709-Y712 PolarHBondContact O-N 3.38Å; Y712-E715 WeakPolarHBondContact O-CB 3.28Å; Y712-E715 PolarHBondContact O-N 2.69Å; Y712-A716 PolarHBondContact O-N 2.75Å; Y712-F823 WeakPolarHBondContact O-CZ 3.49Å; Y712-L827 VanDerWaalsContact CB-CD2 3.47Å; Y712-L827 HydrophobicContact CD1-CD2 3.92Å; Y712-L827 HydrophobicContact CG-CD2 4.06Å; Y712-L827 WeakPolarHBondContact O-CD2 3.4Å |
| 713 | L | 90.3 | Very high | 83.1 | Confident | 24 Ų | 24 | 70 Ų | 70 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 176.7 | -169.7 | 115 | 0 | 0 | 0 | 113.2 | N709 V711 N717 F729 F731 I805 | N709-L713 PolarHBondContact O-N 2.78Å; V711-L713 VanDerWaalsContact C-N 3.26Å; V711-L713 PolarHBondContact O-N 3.09Å; L713-N717 PolarHBondContact O-N 2.9Å; L713-N717 PolarHBondContact O-ND2 2.8Å; L713-F729 HydrophobicContact CD1-CB 4.16Å; L713-F729 HydrophobicContact CG-CB 4.35Å; L713-F731 HydrophobicContact CB-CD2 4.27Å; L713-F731 HydrophobicContact CB-CE2 3.52Å; L713-F731 HydrophobicContact CB-CZ 3.79Å; L713-F731 HydrophobicContact CD1-CD1 4.33Å; L713-F731 HydrophobicContact CD1-CD2 3.81Å; L713-F731 HydrophobicContact CD1-CE1 4.38Å; L713-F731 HydrophobicContact CD1-CE2 3.84Å; L713-F731 HydrophobicContact CD1-CG 4.06Å; L713-F731 HydrophobicContact CD1-CZ 4.14Å; L713-F731 HydrophobicContact CD2-CD2 3.84Å; L713-F731 HydrophobicContact CD2-CE2 3.87Å; L713-F731 HydrophobicContact CG-CD2 4.17Å; L713-F731 HydrophobicContact CG-CE2 3.93Å; L713-F731 HydrophobicContact CG-CZ 4.45Å; L713-I805 HydrophobicContact CD1-CD1 3.78Å; L713-I805 HydrophobicContact CD1-CG2 4.04Å |
| 714 | K | 86.8 | Confident | 83.7 | Confident | 161 Ų | 161 | 70.7 Ų | 70.7 | 70% | 0.7 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.7 | -41.3 | 173.9 | -69.7 | 177.1 | 178.1 | 179.4 | 0 | 111 | V711 N717 A718 | V711-K714 WeakPolarHBondContact O-CB 3.27Å; V711-K714 PolarHBondContact O-N 2.65Å; K714-N717 PolarHBondContact O-N 3.22Å; K714-A718 PolarHBondContact O-N 2.9Å |
| 715 | E | 88 | Confident | 84.3 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.5 | -51.8 | 179.4 | -165.1 | 171.4 | -135.6 | 0 | 0 | 111.7 | V711 Y712 N717 A718 L719 L827 H831 | V711-E715 PolarHBondContact O-N 3.04Å; Y712-E715 WeakPolarHBondContact O-CB 3.28Å; Y712-E715 PolarHBondContact O-N 2.69Å; E715-N717 VanDerWaalsContact C-N 3.3Å; E715-N717 PolarHBondContact O-N 3.32Å; E715-A718 WeakPolarHBondContact O-CB 3.18Å; E715-A718 PolarHBondContact O-N 3Å; E715-L719 WeakPolarHBondContact O-CG 3.47Å; E715-L719 PolarHBondContact O-N 3.08Å; E715-L827 HydrophobicContact CB-CD1 4.42Å; E715-L827 HydrophobicContact CB-CD2 4.42Å; E715-L827 HydrophobicContact CG-CD1 4.24Å; E715-L827 WeakPolarHBondContact OE2-CD2 3.43Å; E715-H831 IonicContact OE1-CE1 2.77Å; E715-H831 PolarHBondContact OE1-CE1 3.46Å; E715-H831 IonicContact OE1-NE2 3.52Å; E715-H831 PolarHBondContact OE1-NE2 3Å; E715-H831 VanDerWaalsContact OE1-NE2 3.12Å; E715-H831 IonicContact OE2-NE2 2.79Å; E715-H831 PolarHBondContact OE2-NE2 2.66Å |
| 716 | A | 90.3 | Very high | 85 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.5 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y712 S720 F729 F823 L827 M830 | Y712-A716 PolarHBondContact O-N 2.75Å; A716-S720 PolarHBondContact O-N 2.83Å; A716-S720 VanDerWaalsContact O-N 3.13Å; A716-F729 HydrophobicContact CB-CD1 4.46Å; A716-F729 HydrophobicContact CB-CD2 3.55Å; A716-F729 HydrophobicContact CB-CE2 3.8Å; A716-F729 HydrophobicContact CB-CG 3.92Å; A716-F729 HydrophobicContact CB-CZ 4.37Å; A716-F729 WeakPolarHBondContact O-CE2 3.39Å; A716-F823 HydrophobicContact CB-CE2 3.57Å; A716-F823 HydrophobicContact CB-CZ 3.55Å; A716-L827 HydrophobicContact CB-CD1 3.88Å; A716-M830 HydrophobicContact CB-SD 4.18Å |
| 717 | N | 91.5 | Very high | 85.5 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.2 | -37 | 175.3 | -79.5 | -69.8 | 0 | 0 | 0 | 112.1 | L713 K714 E715 V721 F729 | L713-N717 PolarHBondContact O-N 2.9Å; L713-N717 PolarHBondContact O-ND2 2.8Å; K714-N717 PolarHBondContact O-N 3.22Å; E715-N717 VanDerWaalsContact C-N 3.3Å; E715-N717 PolarHBondContact O-N 3.32Å; N717-V721 WeakPolarHBondContact O-CG2 3.45Å; N717-V721 PolarHBondContact O-N 3.36Å; N717-F729 PolarHBondContact ND2-O 3Å; N717-F729 PolarHBondContact OD1-N 3.31Å |
| 718 | A | 86.4 | Confident | 86.3 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -51.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K714 E715 S720 V721 E722 | K714-A718 PolarHBondContact O-N 2.9Å; E715-A718 WeakPolarHBondContact O-CB 3.18Å; E715-A718 PolarHBondContact O-N 3Å; A718-S720 VanDerWaalsContact C-N 3.28Å; A718-S720 PolarHBondContact O-N 3.27Å; A718-V721 WeakPolarHBondContact O-CA 3.17Å; A718-V721 WeakPolarHBondContact O-CB 3.27Å; A718-V721 PolarHBondContact O-N 3.33Å; A718-E722 PolarHBondContact O-N 2.97Å |
| 719 | L | 88.9 | Confident | 87.2 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -39.4 | 177.7 | -62.2 | 175.9 | 0 | 0 | 0 | 112 | E715 V721 L723 L827 M830 Y834 F874 | E715-L719 WeakPolarHBondContact O-CG 3.47Å; E715-L719 PolarHBondContact O-N 3.08Å; L719-V721 VanDerWaalsContact C-N 3.29Å; L719-V721 PolarHBondContact O-N 2.93Å; L719-L723 VanDerWaalsContact O-CB 3.3Å; L719-L723 WeakPolarHBondContact O-CB 3.17Å; L719-L723 WeakPolarHBondContact O-CG 3.48Å; L719-L723 PolarHBondContact O-N 2.85Å; L719-L827 HydrophobicContact CD1-CD1 3.89Å; L719-M830 HydrophobicContact CD1-CB 3.8Å; L719-Y834 HydrophobicContact CD2-CD1 4.22Å; L719-Y834 HydrophobicContact CD2-CD2 3.79Å; L719-Y834 HydrophobicContact CD2-CE2 4.38Å; L719-Y834 HydrophobicContact CD2-CG 3.71Å; L719-F874 HydrophobicContact CB-CE1 4.33Å; L719-F874 HydrophobicContact CB-CZ 3.95Å |
| 720 | S | 90.6 | Very high | 87.6 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.4 | -23.5 | 176.3 | -175 | 0 | 0 | 0 | 0 | 114 | A716 A718 N724 K725 K726 V727 | A716-S720 PolarHBondContact O-N 2.83Å; A716-S720 VanDerWaalsContact O-N 3.13Å; A718-S720 VanDerWaalsContact C-N 3.28Å; A718-S720 PolarHBondContact O-N 3.27Å; S720-N724 PolarHBondContact O-N 3.02Å; S720-K725 PolarHBondContact O-N 3.31Å; S720-K725 WeakPolarHBondContact OG-CB 2.99Å; S720-K726 PolarHBondContact OG-N 2.97Å; S720-V727 VanDerWaalsContact CB-O 3.26Å; S720-V727 WeakPolarHBondContact CB-O 3.49Å; S720-V727 PolarHBondContact OG-N 3.31Å; S720-V727 PolarHBondContact OG-O 3.48Å |
| 721 | V | 87.7 | Confident | 87.9 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 70% | 0.703 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -79.7 | -47.3 | 175 | 168 | 0 | 0 | 0 | 0 | 109.9 | N717 A718 L719 N724 | N717-V721 WeakPolarHBondContact O-CG2 3.45Å; N717-V721 PolarHBondContact O-N 3.36Å; A718-V721 WeakPolarHBondContact O-CA 3.17Å; A718-V721 WeakPolarHBondContact O-CB 3.27Å; A718-V721 PolarHBondContact O-N 3.33Å; L719-V721 VanDerWaalsContact C-N 3.29Å; L719-V721 PolarHBondContact O-N 2.93Å; V721-N724 PolarHBondContact O-N 2.6Å; V721-N724 VanDerWaalsContact O-N 3.09Å |
| 722 | E | 84.8 | Confident | 88.1 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | -178.6 | -66.9 | 177 | 142.7 | 0 | 0 | 112 | A718 N724 Y834 | A718-E722 PolarHBondContact O-N 2.97Å; E722-N724 VanDerWaalsContact C-N 3.26Å; E722-N724 PolarHBondContact O-N 2.87Å; E722-Y834 HydrophobicContact CB-CE2 3.98Å |
| 723 | L | 84.4 | Confident | 87.6 | Confident | 31 Ų | 31 | 56 Ų | 56 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.7 | 173.9 | -62.3 | 169.1 | 0 | 0 | 0 | 113.9 | L719 K725 Y833 Y834 E837 F874 | L719-L723 VanDerWaalsContact O-CB 3.3Å; L719-L723 WeakPolarHBondContact O-CB 3.17Å; L719-L723 WeakPolarHBondContact O-CG 3.48Å; L719-L723 PolarHBondContact O-N 2.85Å; L723-K725 HydrophobicContact CB-CG 3.73Å; L723-K725 PolarHBondContact O-N 2.73Å; L723-Y833 HydrophobicContact CD1-CD1 3.78Å; L723-Y833 HydrophobicContact CD1-CE1 4.26Å; L723-Y834 HydrophobicContact CD1-CD2 4.16Å; L723-Y834 HydrophobicContact CD2-CD2 3.92Å; L723-Y834 HydrophobicContact CG-CD2 3.88Å; L723-E837 HydrophobicContact CD2-CB 3.83Å; L723-E837 HydrophobicContact CD2-CG 4.32Å; L723-F874 HydrophobicContact CD1-CE2 3.68Å; L723-F874 HydrophobicContact CD1-CZ 3.8Å |
| 724 | N | 85.7 | Confident | 86.9 | Confident | 118 Ų | 118 | 55 Ų | 55 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 29.9 | -179.6 | -168.3 | 20.4 | 0 | 0 | 0 | 113.7 | S720 V721 E722 K726 | S720-N724 PolarHBondContact O-N 3.02Å; V721-N724 PolarHBondContact O-N 2.6Å; V721-N724 VanDerWaalsContact O-N 3.09Å; E722-N724 VanDerWaalsContact C-N 3.26Å; E722-N724 PolarHBondContact O-N 2.87Å; N724-K726 VanDerWaalsContact C-N 3.26Å; N724-K726 PolarHBondContact O-N 2.98Å |
| 725 | K | 84.3 | Confident | 85.9 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | trans | -72.1 | -18.3 | -176.3 | -71.9 | -74.1 | -172.9 | -175.8 | 0 | 113.9 | S720 L723 Y833 D872 F874 R875 | S720-K725 PolarHBondContact O-N 3.31Å; S720-K725 WeakPolarHBondContact OG-CB 2.99Å; L723-K725 HydrophobicContact CB-CG 3.73Å; L723-K725 PolarHBondContact O-N 2.73Å; K725-Y833 PolarHBondContact NZ-OH 2.79Å; K725-D872 WeakPolarHBondContact CD-OD2 3.15Å; K725-D872 WeakPolarHBondContact CE-OD2 3.43Å; K725-D872 IonicContact NZ-OD1 3.59Å; K725-D872 PolarHBondContact NZ-OD1 2.78Å; K725-D872 IonicContact NZ-OD2 2.83Å; K725-D872 PolarHBondContact NZ-OD2 3.17Å; K725-F874 HydrophobicContact CB-CB 4.43Å; K725-F874 HydrophobicContact CB-CD1 4.2Å; K725-F874 HydrophobicContact CB-CD2 4.24Å; K725-F874 HydrophobicContact CB-CG 4.03Å; K725-F874 HydrophobicContact CD-CD2 3.93Å; K725-F874 HydrophobicContact CD-CE2 4.45Å; K725-F874 HydrophobicContact CD-CG 4.38Å; K725-F874 HydrophobicContact CG-CD1 4.41Å; K725-F874 HydrophobicContact CG-CD2 3.64Å; K725-F874 HydrophobicContact CG-CE2 3.85Å; K725-F874 HydrophobicContact CG-CG 3.96Å; K725-F874 HydrophobicContact CG-CZ 4.33Å; K725-R875 PolarHBondContact O-NH2 2.85Å | ||
| 726 | K | 87.6 | Confident | 84.5 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | trans | 57.3 | 43.4 | 178.5 | -66.6 | -177.8 | 175.1 | -174.7 | 0 | 113.8 | S720 N724 L810 L811 | S720-K726 PolarHBondContact OG-N 2.97Å; N724-K726 VanDerWaalsContact C-N 3.26Å; N724-K726 PolarHBondContact O-N 2.98Å; K726-L810 HydrophobicContact CB-CB 4.27Å; K726-L810 VanDerWaalsContact O-CB 3.27Å; K726-L810 WeakPolarHBondContact O-CB 3.43Å; K726-L810 WeakPolarHBondContact O-CG 3.18Å; K726-L810 PolarHBondContact O-N 2.86Å; K726-L811 HydrophobicContact CB-CD1 4.43Å; K726-L811 HydrophobicContact CB-CG 4.12Å; K726-L811 HydrophobicContact CD-CD1 4.25Å; K726-L811 HydrophobicContact CD-CD2 3.66Å; K726-L811 HydrophobicContact CD-CG 3.82Å | ||
| 727 | V | 88.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | S720 F729 I807 R808 F874 | S720-V727 VanDerWaalsContact CB-O 3.26Å; S720-V727 WeakPolarHBondContact CB-O 3.49Å; S720-V727 PolarHBondContact OG-N 3.31Å; S720-V727 PolarHBondContact OG-O 3.48Å; V727-F729 HydrophobicContact CB-CE2 4.45Å; V727-F729 HydrophobicContact CB-CZ 4.44Å; V727-F729 HydrophobicContact CG1-CE1 4.16Å; V727-F729 HydrophobicContact CG1-CE2 4.02Å; V727-F729 HydrophobicContact CG1-CZ 3.72Å; V727-I807 HydrophobicContact CG1-CG2 3.3Å; V727-R808 CarbonylContact C-O 3.53Å; V727-R808 WeakPolarHBondContact CA-O 3.35Å; V727-F874 HydrophobicContact CB-CB 4.46Å; V727-F874 HydrophobicContact CB-CD1 4.47Å; V727-F874 HydrophobicContact CG2-CB 4.05Å |
| 728 | Q | 89.4 | Confident | 80.7 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.7 | 178.8 | -176.1 | -179.9 | -0 | 0 | 0 | 110.3 | I807 R808 L810 | Q728-I807 WeakPolarHBondContact O-CA 3.33Å; Q728-R808 HydrophobicContact CB-CB 4.47Å; Q728-R808 PolarHBondContact N-O 2.92Å; Q728-R808 PolarHBondContact O-N 3.41Å; Q728-L810 HydrophobicContact CB-CD1 4.46Å; Q728-L810 HydrophobicContact CB-CD2 4.37Å |
| 729 | F | 92.7 | Very high | 78.5 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 1% | 0.013 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130 | 179.1 | -55.6 | -88.2 | 0 | 0 | 0 | 110.8 | L713 A716 N717 V727 I805 E806 I807 W818 F823 M830 F874 | L713-F729 HydrophobicContact CD1-CB 4.16Å; L713-F729 HydrophobicContact CG-CB 4.35Å; A716-F729 HydrophobicContact CB-CD1 4.46Å; A716-F729 HydrophobicContact CB-CD2 3.55Å; A716-F729 HydrophobicContact CB-CE2 3.8Å; A716-F729 HydrophobicContact CB-CG 3.92Å; A716-F729 HydrophobicContact CB-CZ 4.37Å; A716-F729 WeakPolarHBondContact O-CE2 3.39Å; N717-F729 PolarHBondContact ND2-O 3Å; N717-F729 PolarHBondContact OD1-N 3.31Å; V727-F729 HydrophobicContact CB-CE2 4.45Å; V727-F729 HydrophobicContact CB-CZ 4.44Å; V727-F729 HydrophobicContact CG1-CE1 4.16Å; V727-F729 HydrophobicContact CG1-CE2 4.02Å; V727-F729 HydrophobicContact CG1-CZ 3.72Å; F729-I805 HydrophobicContact CB-CG2 4.13Å; F729-I805 HydrophobicContact CD1-CG2 4.18Å; F729-E806 CarbonylContact C-O 3.46Å; F729-E806 WeakPolarHBondContact CA-O 3.4Å; F729-I807 HydrophobicContact CD1-CB 4.37Å; F729-I807 HydrophobicContact CD1-CG1 3.76Å; F729-I807 HydrophobicContact CD1-CG2 4.11Å; F729-I807 HydrophobicContact CE1-CB 4.36Å; F729-I807 HydrophobicContact CE1-CG1 3.83Å; F729-I807 HydrophobicContact CE1-CG2 3.71Å; F729-I807 HydrophobicContact CZ-CG2 4.38Å; F729-W818 HydrophobicContact CE1-CH2 4.26Å; F729-W818 AromaticContact CE1-CZ3 3.89Å; F729-W818 HydrophobicContact CE1-CZ3 3.89Å; F729-F823 HydrophobicContact CB-CE2 4.41Å; F729-F823 HydrophobicContact CD1-CD2 4.2Å; F729-F823 AromaticContact CD1-CE2 3.73Å; F729-F823 HydrophobicContact CD1-CE2 3.73Å; F729-F823 HydrophobicContact CE1-CE2 4.23Å; F729-F823 HydrophobicContact CG-CE2 4.1Å; F729-M830 HydrophobicContact CE1-CE 3.82Å; F729-M830 HydrophobicContact CE2-CE 4.47Å; F729-M830 HydrophobicContact CE2-SD 4.37Å; F729-M830 HydrophobicContact CZ-CE 3.5Å; F729-M830 VanDerWaalsContact CZ-CE 3.5Å; F729-M830 HydrophobicContact CZ-SD 3.93Å; F729-F874 HydrophobicContact CE2-CD1 4.06Å; F729-F874 HydrophobicContact CE2-CE1 4.3Å; F729-F874 AromaticContact CZ-CD1 3.9Å; F729-F874 HydrophobicContact CZ-CD1 3.9Å; F729-F874 HydrophobicContact CZ-CE1 4.46Å |
| 730 | Q | 90.8 | Very high | 76.7 | Confident | 99 Ų | 99 | 67 Ų | 67 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 139.8 | 179 | -177.4 | 174.8 | -49.8 | 0 | 0 | 112 | V732 I805 E806 | Q730-V732 PolarHBondContact O-N 2.76Å; Q730-I805 CarbonylContact O-C 3.5Å; Q730-I805 WeakPolarHBondContact O-CA 3.44Å; Q730-E806 HydrophobicContact CB-CB 4.48Å; Q730-E806 PolarHBondContact N-O 3.47Å; Q730-E806 PolarHBondContact O-N 2.94Å |
| 731 | F | 89.1 | Confident | 75 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.8 | 170.1 | -69.9 | -73.4 | 0 | 0 | 0 | 111.5 | L706 N709 L713 L803 I805 L820 | L706-F731 HydrophobicContact CD2-CB 3.83Å; L706-F731 HydrophobicContact CD2-CD1 3.92Å; L706-F731 HydrophobicContact CD2-CD2 3.48Å; L706-F731 VanDerWaalsContact CD2-CD2 3.48Å; L706-F731 HydrophobicContact CD2-CE1 4.31Å; L706-F731 HydrophobicContact CD2-CE2 3.94Å; L706-F731 HydrophobicContact CD2-CG 3.47Å; L706-F731 VanDerWaalsContact CD2-CG 3.47Å; L706-F731 HydrophobicContact CD2-CZ 4.32Å; L706-F731 HydrophobicContact CG-CD1 4.42Å; L706-F731 HydrophobicContact CG-CG 4.36Å; N709-F731 HydrophobicContact CB-CE1 4.14Å; N709-F731 HydrophobicContact CB-CZ 3.99Å; L713-F731 HydrophobicContact CB-CD2 4.27Å; L713-F731 HydrophobicContact CB-CE2 3.52Å; L713-F731 HydrophobicContact CB-CZ 3.79Å; L713-F731 HydrophobicContact CD1-CD1 4.33Å; L713-F731 HydrophobicContact CD1-CD2 3.81Å; L713-F731 HydrophobicContact CD1-CE1 4.38Å; L713-F731 HydrophobicContact CD1-CE2 3.84Å; L713-F731 HydrophobicContact CD1-CG 4.06Å; L713-F731 HydrophobicContact CD1-CZ 4.14Å; L713-F731 HydrophobicContact CD2-CD2 3.84Å; L713-F731 HydrophobicContact CD2-CE2 3.87Å; L713-F731 HydrophobicContact CG-CD2 4.17Å; L713-F731 HydrophobicContact CG-CE2 3.93Å; L713-F731 HydrophobicContact CG-CZ 4.45Å; F731-L803 HydrophobicContact CB-CD1 4.19Å; F731-L803 HydrophobicContact CD1-CD1 3.84Å; F731-L803 HydrophobicContact CD1-CD2 4.38Å; F731-L803 HydrophobicContact CD1-CG 4.29Å; F731-L803 HydrophobicContact CG-CD1 4.41Å; F731-I805 HydrophobicContact CD1-CD1 3.44Å; F731-I805 VanDerWaalsContact CD1-CD1 3.44Å; F731-I805 HydrophobicContact CE1-CD1 3.41Å; F731-I805 VanDerWaalsContact CE1-CD1 3.41Å; F731-I805 HydrophobicContact CG-CD1 4.34Å; F731-I805 HydrophobicContact CZ-CD1 4.28Å; F731-L820 HydrophobicContact CE1-CD1 4.47Å |
| 732 | V | 83.6 | Confident | 73.5 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.7 | 174 | 172.4 | 0 | 0 | 0 | 0 | 110 | Q730 L734 V804 E806 Y817 | Q730-V732 PolarHBondContact O-N 2.76Å; V732-L734 HydrophobicContact CG1-CD2 4.08Å; V732-L734 HydrophobicContact CG1-CG 4.23Å; V732-L734 PolarHBondContact O-N 3.22Å; V732-V804 HydrophobicContact CB-CG2 4.22Å; V732-V804 PolarHBondContact N-O 2.97Å; V732-V804 WeakPolarHBondContact O-CG2 3.5Å; V732-V804 PolarHBondContact O-N 2.69Å; V732-E806 HydrophobicContact CB-CB 4.5Å; V732-E806 HydrophobicContact CG2-CB 3.67Å; V732-E806 WeakPolarHBondContact CG2-OE2 3.21Å; V732-Y817 HydrophobicContact CG1-CE1 4.37Å |
| 733 | L | 79.4 | Confident | 72.4 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 87.3 | 170.8 | -71.4 | 170.7 | 0 | 0 | 0 | 108.9 | L702 T735 T801 I802 L803 | L702-L733 HydrophobicContact CB-CD2 4.37Å; L702-L733 HydrophobicContact CD1-CD2 4.08Å; L733-T735 PolarHBondContact O-N 2.9Å; L733-T735 PolarHBondContact O-OG1 2.89Å; L733-T801 HydrophobicContact CB-CG2 3.97Å; L733-T801 HydrophobicContact CD2-CG2 4.03Å; L733-T801 HydrophobicContact CG-CG2 4.5Å; L733-I802 CarbonylContact C-O 3.58Å; L733-I802 WeakPolarHBondContact CA-O 3.33Å; L733-L803 HydrophobicContact CD2-CB 4.21Å; L733-L803 HydrophobicContact CD2-CD1 3.97Å |
| 734 | L | 74.4 | Confident | 71 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 104.1 | 173.7 | -75.8 | -178.6 | 0 | 0 | 0 | 108.8 | V732 T740 I742 L746 T801 I802 V804 Y817 | V732-L734 HydrophobicContact CG1-CD2 4.08Å; V732-L734 HydrophobicContact CG1-CG 4.23Å; V732-L734 PolarHBondContact O-N 3.22Å; L734-T740 HydrophobicContact CD2-CG2 4.5Å; L734-I742 HydrophobicContact CB-CG1 4.09Å; L734-L746 HydrophobicContact CD1-CD1 4.29Å; L734-T801 CarbonylContact O-C 3.56Å; L734-T801 WeakPolarHBondContact O-CA 3.44Å; L734-I802 PolarHBondContact N-O 2.79Å; L734-I802 PolarHBondContact O-N 3.03Å; L734-V804 HydrophobicContact CB-CG2 4.39Å; L734-V804 HydrophobicContact CD1-CG1 4.19Å; L734-V804 HydrophobicContact CD1-CG2 3.62Å; L734-V804 HydrophobicContact CG-CG2 3.62Å; L734-Y817 HydrophobicContact CD1-CD1 4.23Å; L734-Y817 HydrophobicContact CD1-CG 4.18Å; L734-Y817 HydrophobicContact CD2-CE1 4.22Å |
| 735 | T | 67.1 | Low | 69.6 | Low | 42 Ų | 42 | 69.9 Ų | 69.9 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.1 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 108.1 | L733 T737 T740 S800 | L733-T735 PolarHBondContact O-N 2.9Å; L733-T735 PolarHBondContact O-OG1 2.89Å; T735-T737 VanDerWaalsContact C-N 3.3Å; T735-T737 HydrophobicContact CG2-CG2 3.64Å; T735-T737 PolarHBondContact O-N 2.73Å; T735-T740 PolarHBondContact O-OG1 3.06Å; T735-S800 CarbonylContact C-O 3.58Å; T735-S800 VanDerWaalsContact CA-O 3.28Å; T735-S800 WeakPolarHBondContact CA-O 3.32Å; T735-S800 VanDerWaalsContact CG2-O 3.32Å; T735-S800 WeakPolarHBondContact CG2-O 3.39Å |
| 736 | S | 57.6 | Low | 68.3 | Low | 68 Ų | 68 | 69.8 Ų | 69.8 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | trans | -68.4 | 85.3 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | S800 | S736-S800 PolarHBondContact N-O 2.95Å; S736-S800 WeakPolarHBondContact OG-CA 3.42Å; S736-S800 WeakPolarHBondContact OG-CB 3.34Å; S736-S800 PolarHBondContact OG-O 3.28Å | ||
| 737 | T | 56.6 | Low | 66.6 | Low | 52 Ų | 52 | 66.7 Ų | 66.7 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -126.8 | 160.2 | -179.5 | 81.3 | 0 | 0 | 0 | 0 | 110.8 | T735 Y739 T740 | T735-T737 VanDerWaalsContact C-N 3.3Å; T735-T737 HydrophobicContact CG2-CG2 3.64Å; T735-T737 PolarHBondContact O-N 2.73Å; T737-Y739 PolarHBondContact O-N 2.86Å; T737-Y739 PolarHBondContact OG1-N 2.93Å; T737-T740 CarbonylContact O-C 3.33Å; T737-T740 PolarHBondContact O-N 2.98Å; T737-T740 PolarHBondContact OG1-N 2.89Å; T737-T740 PolarHBondContact OG1-OG1 2.9Å |
| 738 | P | 45.4 | Very low | 64.6 | Low | 125 Ų | 125 | 68.1 Ų | 68.1 | 81% | 0.812 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -8.7 | 177.4 | -24 | 35.4 | 0 | 0 | 0 | 115.5 | ||
| 739 | Y | 41.1 | Very low | 62.2 | Low | 214 Ų | 214 | 67.5 Ų | 67.5 | 84% | 0.839 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -10.8 | -175.9 | -52.4 | -74.1 | 0 | 0 | 0 | 113.4 | T737 | T737-Y739 PolarHBondContact O-N 2.86Å; T737-Y739 PolarHBondContact OG1-N 2.93Å |
| 740 | T | 51.1 | Low | 59.7 | Low | 56 Ų | 56 | 71.2 Ų | 71.2 | 34% | 0.344 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -140.3 | 87.1 | 178.1 | 24.8 | 0 | 0 | 0 | 0 | 109.1 | L734 T735 T737 I742 | L734-T740 HydrophobicContact CD2-CG2 4.5Å; T735-T740 PolarHBondContact O-OG1 3.06Å; T737-T740 CarbonylContact O-C 3.33Å; T737-T740 PolarHBondContact O-N 2.98Å; T737-T740 PolarHBondContact OG1-N 2.89Å; T737-T740 PolarHBondContact OG1-OG1 2.9Å; T740-I742 PolarHBondContact O-N 3.04Å |
| 741 | S | 53.4 | Low | 57.2 | Low | 106 Ų | 106 | 69.3 Ų | 69.3 | 74% | 0.741 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 120.1 | 167.9 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | P743 | S741-P743 WeakPolarHBondContact O-CD 3.49Š|
| 742 | I | 57.2 | Low | 54.8 | Low | 17 Ų | 17 | 73.5 Ų | 73.5 | 9% | 0.087 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 125.2 | 166.7 | -64.7 | 152 | 0 | 0 | 0 | 107.2 | L734 T740 L746 N747 I802 | L734-I742 HydrophobicContact CB-CG1 4.09Å; T740-I742 PolarHBondContact O-N 3.04Å; I742-L746 HydrophobicContact CG2-CB 3.79Å; I742-N747 HydrophobicContact CG2-CB 4.1Å; I742-I802 HydrophobicContact CD1-CD1 3.91Å; I742-I802 HydrophobicContact CD1-CG1 4.31Å; I742-I802 HydrophobicContact CG1-CD1 4.22Å; I742-I802 HydrophobicContact CG2-CD1 3.82Å |
| 743 | P | 61.4 | Low | 52.3 | Low | 44 Ų | 44 | 76.7 Ų | 76.7 | 29% | 0.286 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 142.4 | 174.3 | -24.2 | 34.1 | 0 | 0 | 0 | 111 | S741 E745 L746 N747 Y817 | S741-P743 WeakPolarHBondContact O-CD 3.49Å; P743-E745 PolarHBondContact O-N 3.25Å; P743-E745 VanDerWaalsContact O-N 3.09Å; P743-L746 HydrophobicContact CB-CD1 4.29Å; P743-L746 HydrophobicContact CG-CD1 4.06Å; P743-L746 WeakPolarHBondContact O-CA 3.4Å; P743-L746 WeakPolarHBondContact O-CB 3.41Å; P743-L746 PolarHBondContact O-N 3.31Å; P743-N747 PolarHBondContact O-N 2.99Å; P743-Y817 HydrophobicContact CG-CD2 3.94Å |
| 744 | N | 54.3 | Low | 49.9 | Very low | 131 Ų | 131 | 84.3 Ų | 84.3 | 70% | 0.701 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -55.4 | -35.6 | -171.7 | -61.8 | 19.4 | 0 | 0 | 0 | 113.3 | L746 N747 | N744-L746 PolarHBondContact O-N 3.43Å; N744-L746 VanDerWaalsContact O-N 3.14Å; N744-N747 PolarHBondContact O-N 3.14Å; N744-N747 VanDerWaalsContact O-N 3.14Å |
| 745 | E | 56.6 | Low | 48.1 | Very low | 155 Ų | 155 | 90.2 Ų | 90.2 | 72% | 0.724 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -56.6 | -26.3 | 174.6 | -65.3 | 169.1 | -160.1 | 0 | 0 | 113.8 | P743 | P743-E745 PolarHBondContact O-N 3.25Å; P743-E745 VanDerWaalsContact O-N 3.09Å |
| 746 | L | 57.6 | Low | 46.4 | Very low | 24 Ų | 24 | 92 Ų | 92 | 13% | 0.126 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -105 | -0.5 | -176.7 | -66.9 | 163.5 | 0 | 0 | 0 | 112.9 | L734 I742 P743 N744 P748 I802 V804 | L734-L746 HydrophobicContact CD1-CD1 4.29Å; I742-L746 HydrophobicContact CG2-CB 3.79Å; P743-L746 HydrophobicContact CB-CD1 4.29Å; P743-L746 HydrophobicContact CG-CD1 4.06Å; P743-L746 WeakPolarHBondContact O-CA 3.4Å; P743-L746 WeakPolarHBondContact O-CB 3.41Å; P743-L746 PolarHBondContact O-N 3.31Å; N744-L746 PolarHBondContact O-N 3.43Å; N744-L746 VanDerWaalsContact O-N 3.14Å; L746-P748 VanDerWaalsContact O-CD 3.31Å; L746-P748 WeakPolarHBondContact O-CD 3.42Å; L746-I802 WeakPolarHBondContact O-CD1 3.31Å; L746-V804 HydrophobicContact CD1-CG1 4.15Å; L746-V804 HydrophobicContact CD2-CG1 4.08Å |
| 747 | N | 51.6 | Low | 44.9 | Very low | 32 Ų | 32 | 95.4 Ų | 95.4 | 17% | 0.171 | 51% | 0.51 | C | S | . | . | trans | -91.2 | 110 | -171.6 | -170.9 | 28.4 | 0 | 0 | 0 | 111.9 | I742 P743 N744 L749 D750 | I742-N747 HydrophobicContact CG2-CB 4.1Å; P743-N747 PolarHBondContact O-N 2.99Å; N744-N747 PolarHBondContact O-N 3.14Å; N744-N747 VanDerWaalsContact O-N 3.14Å; N747-L749 PolarHBondContact O-N 2.69Å; N747-D750 PolarHBondContact ND2-OD2 2.77Å | ||
| 748 | P | 45.4 | Very low | 43.6 | Very low | 36 Ų | 36 | 100.3 Ų | 100.3 | 23% | 0.234 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 8.7 | -173.6 | -16.2 | 32.9 | 0 | 0 | 0 | 114.9 | L746 N799 I802 | L746-P748 VanDerWaalsContact O-CD 3.31Å; L746-P748 WeakPolarHBondContact O-CD 3.42Å; P748-N799 HydrophobicContact CG-CB 4.19Å; P748-I802 HydrophobicContact CG-CD1 4.1Å |
| 749 | L | 39.5 | Very low | 43 | Very low | 69 Ų | 69 | 100.6 Ų | 100.6 | 36% | 0.361 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -28.1 | -173.3 | -75.9 | 162.9 | 0 | 0 | 0 | 113 | N747 K751 L752 N753 | N747-L749 PolarHBondContact O-N 2.69Å; L749-K751 PolarHBondContact O-N 3.14Å; L749-L752 PolarHBondContact O-N 3.42Å; L749-N753 PolarHBondContact O-N 2.93Å |
| 750 | D | 39.8 | Very low | 42.4 | Very low | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -20 | -176.4 | -63.6 | -43.2 | 0 | 0 | 0 | 112.8 | N747 | N747-D750 PolarHBondContact ND2-OD2 2.77Š|
| 751 | K | 40 | Very low | 41.3 | Very low | 59 Ų | 59 | 103.4 Ų | 103.4 | 26% | 0.257 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | -3.1 | 176 | -67.1 | 118 | 153.5 | -157.6 | 0 | 115.3 | L749 T1147 E1149 | L749-K751 PolarHBondContact O-N 3.14Å; K751-T1147 WeakPolarHBondContact CE-OG1 3.39Å; K751-E1149 HydrophobicContact CB-CB 4.1Å; K751-E1149 HydrophobicContact CD-CB 4.13Å; K751-E1149 HydrophobicContact CD-CG 4.49Å; K751-E1149 WeakPolarHBondContact CD-OE1 3.48Å; K751-E1149 WeakPolarHBondContact CE-OE1 3.46Å; K751-E1149 HydrophobicContact CG-CB 3.87Å; K751-E1149 IonicContact NZ-OE1 2.83Å; K751-E1149 PolarHBondContact NZ-OE1 2.75Å |
| 752 | L | 38.2 | Very low | 39.8 | Very low | 125 Ų | 125 | 103.2 Ų | 103.2 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | -3.3 | 177.1 | -80.2 | 167.7 | 0 | 0 | 0 | 113.4 | L749 | L749-L752 PolarHBondContact O-N 3.42Š|
| 753 | N | 30 | Very low | 38.5 | Very low | 97 Ų | 97 | 110.7 Ų | 110.7 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | trans | -134.4 | 21.1 | -172.3 | -114.4 | 90.3 | 0 | 0 | 0 | 114.9 | L749 D755 | L749-N753 PolarHBondContact O-N 2.93Å; N753-D755 CarbonylContact C-O 3.58Å; N753-D755 WeakPolarHBondContact CA-O 3.4Å; N753-D755 PolarHBondContact ND2-O 3.04Å | ||
| 754 | Y | 30.6 | Very low | 36.8 | Very low | 235 Ų | 235 | 113.9 Ų | 113.9 | 92% | 0.922 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -74.9 | -9.9 | 147.9 | -125.1 | -86.6 | 0 | 0 | 0 | 111.9 | ||
| 755 | D | 35 | Very low | 35.5 | Very low | 125 Ų | 125 | 112.9 Ų | 112.9 | 67% | 0.668 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -77.2 | 143.2 | 152.5 | -83.6 | -49.9 | 0 | 0 | 0 | 111.2 | N753 | N753-D755 CarbonylContact C-O 3.58Å; N753-D755 WeakPolarHBondContact CA-O 3.4Å; N753-D755 PolarHBondContact ND2-O 3.04Å |
| 756 | S | 32.9 | Very low | 34.1 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 56% | 0.559 | 61% | 0.611 | S | S | * | * | trans | 65.3 | 52.5 | 163.9 | 71.3 | 0 | 0 | 0 | 0 | 119 | E758 | S756-E758 PolarHBondContact O-N 2.98Š| ||
| 757 | C | 26.1 | Very low | 32.6 | Very low | 140 Ų | 140 | 114 Ų | 114 | 95% | 0.946 | 64% | 0.638 | S | S | * | * | trans | -75.3 | 72.4 | 144.5 | -101.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 758 | E | 29.3 | Very low | 31.5 | Very low | 155 Ų | 155 | 120.6 Ų | 120.6 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | trans | -76.7 | 147.4 | 171.1 | -75 | -161.1 | 140.1 | 0 | 0 | 112.5 | S756 | S756-E758 PolarHBondContact O-N 2.98Š| ||
| 759 | N | 31.6 | Very low | 30.7 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 55.4 | 65.7 | 144.9 | -65.3 | -44.3 | 0 | 0 | 0 | 119.3 | ||
| 760 | Q | 30 | Very low | 30.3 | Very low | 201 Ų | 201 | 129.7 Ų | 129.7 | 94% | 0.939 | 72% | 0.722 | S | S | * | * | trans | -167.1 | 76.8 | 138.8 | -114.8 | 164.1 | 100.7 | 0 | 0 | 116.6 | ||||
| 761 | C | 26.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | S | Bend | -168.4 | 158.7 | 128.2 | -152.1 | 0 | 0 | 0 | 0 | 110.5 | E763 | C761-E763 PolarHBondContact O-N 2.93Š| |
| 762 | S | 23.7 | Very low | 29.1 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -68.3 | 119.6 | -174.3 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 763 | E | 29.1 | Very low | 28.6 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | -169.3 | 131.4 | 106.1 | -100.9 | 175.3 | -172.8 | 0 | 0 | 113.1 | C761 | C761-E763 PolarHBondContact O-N 2.93Š| |||
| 764 | C | 26.1 | Very low | 28.9 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 42.5 | 99.6 | 148.9 | -55.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 765 | S | 26.4 | Very low | 28.7 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | 66.4 | 134.6 | 79.5 | 78.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 766 | S | 26.6 | Very low | 28.4 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -161.9 | 173.9 | 14.9 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 767 | S | 27.2 | Very low | 28.2 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 61.1 | 89.9 | 151.8 | 55.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 768 | I | 27.6 | Very low | 28.4 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -122.4 | 116.2 | 148.6 | -64.3 | -178.5 | 0 | 0 | 0 | 109.1 | ||||
| 769 | Q | 29.5 | Very low | 28.3 | Very low | 184 Ų | 184 | 132 Ų | 132 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -129.1 | 152.2 | 166.1 | -67.6 | 172.9 | -33.8 | 0 | 0 | 104.4 | ||||
| 770 | S | 29.9 | Very low | 28.3 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | cis | -154.4 | 165.4 | 6.1 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 771 | L | 27.6 | Very low | 28.3 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | trans | -64.1 | 161.9 | 162.9 | -72.7 | 138.9 | 0 | 0 | 0 | 111.2 | ||||
| 772 | P | 28 | Very low | 28.4 | Very low | 96 Ų | 96 | 126 Ų | 126 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | -108 | 151.6 | 87.6 | -11.6 | 31.1 | 0 | 0 | 0 | 113.5 | |||||
| 773 | E | 28.6 | Very low | 28.7 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | 61.3 | 133.1 | 80.4 | -49.1 | 158 | -170.1 | 0 | 0 | 111.2 | |||||
| 774 | I | 34.3 | Very low | 28.8 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 52% | 0.518 | 69% | 0.691 | S | S | . | * | cis | -145.3 | 128.2 | 27.1 | -68.8 | 161.1 | 0 | 0 | 0 | 106.7 | D1783 | I774-D1783 HydrophobicContact CD1-CB 4.22Å; I774-D1783 WeakPolarHBondContact CD1-OD1 3.34Å; I774-D1783 HydrophobicContact CG2-CB 3.76Å | ||
| 775 | E | 27.7 | Very low | 28.9 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | 79.9 | 115.7 | 54.5 | -87.4 | -147.6 | -157.3 | 0 | 0 | 117.7 | N1784 | E775-N1784 PolarHBondContact O-ND2 2.8Š| |||
| 776 | N | 27.7 | Very low | 29 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 56% | 0.561 | 68% | 0.681 | S | S | * | * | trans | 62.8 | 165.5 | 164.2 | -48.4 | -49.7 | 0 | 0 | 0 | 115.2 | I778 N1784 | N776-I778 HydrophobicContact CB-CD1 4.48Å; N776-N1784 PolarHBondContact O-ND2 2.79Å | ||
| 777 | E | 29.5 | Very low | 29.3 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 66% | 0.659 | 68% | 0.678 | S | S | * | * | cis | -111.3 | 137.2 | 6.4 | -82.7 | -166.1 | 128.1 | 0 | 0 | 111.9 | ||||
| 778 | I | 30.1 | Very low | 29.7 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 52% | 0.518 | 67% | 0.673 | S | S | . | * | 70.1 | 97.1 | 72.6 | -66.6 | 172.3 | 0 | 0 | 0 | 110.7 | N776 | N776-I778 HydrophobicContact CB-CD1 4.48Š| |||
| 779 | N | 27.5 | Very low | 29.9 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | 77.4 | 156.2 | 87.1 | -74.3 | -49.5 | 0 | 0 | 0 | 114.7 | |||||
| 780 | H | 32.3 | Very low | 30.2 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 72% | 0.718 | 64% | 0.64 | S | S | * | * | trans | 70.4 | 125.9 | -178.1 | -41.9 | -78.6 | 0 | 0 | 0 | 114.2 | ||||
| 781 | L | 28.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 59% | 0.586 | 63% | 0.63 | S | S | * | * | cis | -98.9 | 145.6 | 11.2 | -77.6 | 60.9 | 0 | 0 | 0 | 112 | ||||
| 782 | S | 29.5 | Very low | 30.8 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | cis | 71.8 | 83.8 | 19.3 | 91.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 783 | N | 29.9 | Very low | 31.1 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 62% | 0.624 | S | S | * | * | 175.9 | 152.5 | 107.1 | -90.6 | 8.5 | 0 | 0 | 0 | 113 | |||||
| 784 | S | 31.5 | Very low | 31.5 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | cis | -177.9 | 104.9 | -28.6 | 47.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 785 | Y | 26.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 49% | 0.49 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -172 | -64.1 | 141.6 | -140.5 | -113.5 | 0 | 0 | 0 | 109.8 | E657 Y787 S788 | E657-Y785 VanDerWaalsContact CD-OH 3.28Å; E657-Y785 PolarHBondContact OE1-OH 2.69Å; E657-Y785 WeakPolarHBondContact OE2-CE2 3.4Å; E657-Y785 PolarHBondContact OE2-OH 2.73Å; Y785-Y787 PolarHBondContact O-N 3.41Å; Y785-S788 PolarHBondContact O-N 2.8Å |
| 786 | W | 30.2 | Very low | 31.8 | Very low | 213 Ų | 213 | 130.7 Ų | 130.7 | 81% | 0.807 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -42.8 | -172.8 | -70.5 | 105.4 | 0 | 0 | 0 | 115.3 | S788 L789 | W786-S788 PolarHBondContact O-N 3.43Å; W786-L789 PolarHBondContact O-N 3.48Å; W786-L789 VanDerWaalsContact O-N 3.13Å |
| 787 | Y | 32.9 | Very low | 32.3 | Very low | 164 Ų | 164 | 130 Ų | 130 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.2 | -6.5 | -173.4 | -159.9 | -108.2 | 0 | 0 | 0 | 115.1 | Y785 K791 | Y785-Y787 PolarHBondContact O-N 3.41Å; Y787-K791 HydrophobicContact CE1-CD 4.44Å |
| 788 | S | 34.2 | Very low | 33.1 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -88.5 | -23.5 | 176.6 | -147.6 | 0 | 0 | 0 | 0 | 113.6 | Y785 W786 | Y785-S788 PolarHBondContact O-N 2.8Å; W786-S788 PolarHBondContact O-N 3.43Å |
| 789 | L | 31.2 | Very low | 33.9 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 56% | 0.555 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.2 | -45.3 | 175.5 | -95.3 | 74.1 | 0 | 0 | 0 | 111.9 | W786 K791 F792 Y793 | W786-L789 PolarHBondContact O-N 3.48Å; W786-L789 VanDerWaalsContact O-N 3.13Å; L789-K791 PolarHBondContact O-N 3.37Å; L789-F792 PolarHBondContact O-N 3.46Å; L789-Y793 PolarHBondContact O-N 2.66Å |
| 790 | E | 36.7 | Very low | 35.5 | Very low | 104 Ų | 104 | 124 Ų | 124 | 49% | 0.486 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.1 | -45.6 | -176.2 | -66.7 | -179.9 | 107 | 0 | 0 | 112.1 | F792 Y793 Q794 | E790-F792 PolarHBondContact O-N 2.87Å; E790-Y793 PolarHBondContact O-N 2.89Å; E790-Y793 VanDerWaalsContact O-N 3.09Å; E790-Q794 WeakPolarHBondContact O-CB 3.41Å; E790-Q794 WeakPolarHBondContact O-CG 3.48Å; E790-Q794 PolarHBondContact O-N 3.44Å |
| 791 | K | 37.7 | Very low | 37.3 | Very low | 132 Ų | 132 | 117 Ų | 117 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.6 | -15.2 | 177.2 | -89.2 | -169.5 | 172.2 | -172.8 | 0 | 114.8 | Y787 L789 | Y787-K791 HydrophobicContact CE1-CD 4.44Å; L789-K791 PolarHBondContact O-N 3.37Å |
| 792 | F | 33.1 | Very low | 39.4 | Very low | 179 Ų | 179 | 113.2 Ų | 113.2 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -86.9 | -25.8 | 172.3 | -120.4 | -80.6 | 0 | 0 | 0 | 113 | L789 E790 | L789-F792 PolarHBondContact O-N 3.46Å; E790-F792 PolarHBondContact O-N 2.87Å |
| 793 | Y | 33.2 | Very low | 41.9 | Very low | 125 Ų | 125 | 110.5 Ų | 110.5 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -86.6 | -35.5 | 175.5 | -86.7 | -91.8 | 0 | 0 | 0 | 113.2 | I695 L789 E790 N795 | I695-Y793 HydrophobicContact CG2-CE1 3.79Å; L789-Y793 PolarHBondContact O-N 2.66Å; E790-Y793 PolarHBondContact O-N 2.89Å; E790-Y793 VanDerWaalsContact O-N 3.09Å; Y793-N795 PolarHBondContact O-N 3.35Å |
| 794 | Q | 38.2 | Very low | 44.6 | Very low | 142 Ų | 142 | 103.5 Ų | 103.5 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -2.8 | -175.6 | -76.1 | 172.9 | -11.2 | 0 | 0 | 115.5 | E790 | E790-Q794 WeakPolarHBondContact O-CB 3.41Å; E790-Q794 WeakPolarHBondContact O-CG 3.48Å; E790-Q794 PolarHBondContact O-N 3.44Å |
| 795 | N | 33.4 | Very low | 47.3 | Very low | 145 Ų | 145 | 99.2 Ų | 99.2 | 78% | 0.775 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 18.8 | -171.2 | -121.7 | -19.9 | 0 | 0 | 0 | 114.8 | Y793 | Y793-N795 PolarHBondContact O-N 3.35Š|
| 796 | K | 33.9 | Very low | 50.3 | Low | 166 Ų | 166 | 94.4 Ų | 94.4 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -137.5 | 95.3 | 172.9 | -85.7 | -170.5 | 176.8 | 172.6 | 0 | 115.2 | ||
| 797 | S | 37.8 | Very low | 53 | Low | 90 Ų | 90 | 84.6 Ų | 84.6 | 63% | 0.629 | 41% | 0.41 | S | S | * | . | trans | 50.8 | 110.8 | 132.6 | 65.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 798 | K | 46.7 | Very low | 55.7 | Low | 151 Ų | 151 | 79.9 Ų | 79.9 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | trans | 62.4 | 96.3 | 155.9 | -57.2 | -178.3 | 178.2 | -174.6 | 0 | 114.9 | S800 | K798-S800 PolarHBondContact O-N 3.23Š| ||
| 799 | N | 47.8 | Very low | 58 | Low | 80 Ų | 80 | 76.4 Ų | 76.4 | 43% | 0.428 | 37% | 0.365 | S | S | . | . | trans | -60 | 85.8 | 160.1 | -71.5 | -1.8 | 0 | 0 | 0 | 109.2 | P748 T801 | P748-N799 HydrophobicContact CG-CB 4.19Å; N799-T801 VanDerWaalsContact C-N 3.34Å | ||
| 800 | S | 60.1 | Low | 60.5 | Low | 21 Ų | 21 | 76 Ų | 76 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | trans | -91.2 | -0.3 | -170.3 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | H697 T735 S736 K798 | H697-S800 PolarHBondContact CE1-OG 2.91Å; H697-S800 VanDerWaalsContact CE1-OG 3.26Å; H697-S800 PolarHBondContact ND1-OG 2.9Å; T735-S800 CarbonylContact C-O 3.58Å; T735-S800 VanDerWaalsContact CA-O 3.28Å; T735-S800 WeakPolarHBondContact CA-O 3.32Å; T735-S800 VanDerWaalsContact CG2-O 3.32Å; T735-S800 WeakPolarHBondContact CG2-O 3.39Å; S736-S800 PolarHBondContact N-O 2.95Å; S736-S800 WeakPolarHBondContact OG-CA 3.42Å; S736-S800 WeakPolarHBondContact OG-CB 3.34Å; S736-S800 PolarHBondContact OG-O 3.28Å; K798-S800 PolarHBondContact O-N 3.23Å | ||
| 801 | T | 69.5 | Low | 62.5 | Low | 10 Ų | 10 | 76.5 Ų | 76.5 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 132.8 | 170.8 | -53.4 | 0 | 0 | 0 | 0 | 108.4 | H697 L702 L733 L734 N799 | H697-T801 PolarHBondContact ND1-OG1 2.76Å; L702-T801 HydrophobicContact CD1-CG2 3.68Å; L733-T801 HydrophobicContact CB-CG2 3.97Å; L733-T801 HydrophobicContact CD2-CG2 4.03Å; L733-T801 HydrophobicContact CG-CG2 4.5Å; L734-T801 CarbonylContact O-C 3.56Å; L734-T801 WeakPolarHBondContact O-CA 3.44Å; N799-T801 VanDerWaalsContact C-N 3.34Å |
| 802 | I | 74 | Confident | 64.4 | Low | 32 Ų | 32 | 73.6 Ų | 73.6 | 16% | 0.164 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.5 | -179.3 | -33.4 | 179.9 | 0 | 0 | 0 | 108.2 | L733 L734 I742 L746 P748 V804 | L733-I802 CarbonylContact C-O 3.58Å; L733-I802 WeakPolarHBondContact CA-O 3.33Å; L734-I802 PolarHBondContact N-O 2.79Å; L734-I802 PolarHBondContact O-N 3.03Å; I742-I802 HydrophobicContact CD1-CD1 3.91Å; I742-I802 HydrophobicContact CD1-CG1 4.31Å; I742-I802 HydrophobicContact CG1-CD1 4.22Å; I742-I802 HydrophobicContact CG2-CD1 3.82Å; L746-I802 WeakPolarHBondContact O-CD1 3.31Å; P748-I802 HydrophobicContact CG-CD1 4.1Å; I802-V804 HydrophobicContact CG2-CG1 4.46Å |
| 803 | L | 80.9 | Confident | 66.4 | Low | 10 Ų | 10 | 70.1 Ų | 70.1 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.3 | 170.9 | -178.6 | 63.1 | 0 | 0 | 0 | 109.9 | L702 Q705 L706 F731 L733 L820 | L702-L803 HydrophobicContact CD2-CB 4.16Å; Q705-L803 HydrophobicContact CB-CD2 3.94Å; L706-L803 HydrophobicContact CB-CD2 4.17Å; L706-L803 HydrophobicContact CD1-CD1 4.06Å; L706-L803 HydrophobicContact CG-CD1 3.83Å; L706-L803 HydrophobicContact CG-CD2 3.87Å; F731-L803 HydrophobicContact CB-CD1 4.19Å; F731-L803 HydrophobicContact CD1-CD1 3.84Å; F731-L803 HydrophobicContact CD1-CD2 4.38Å; F731-L803 HydrophobicContact CD1-CG 4.29Å; F731-L803 HydrophobicContact CG-CD1 4.41Å; L733-L803 HydrophobicContact CD2-CB 4.21Å; L733-L803 HydrophobicContact CD2-CD1 3.97Å; L803-L820 HydrophobicContact CD2-CD1 4.11Å; L803-L820 HydrophobicContact CG-CD1 4.49Å |
| 804 | V | 86 | Confident | 68.5 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 169.6 | 176.4 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | V732 L734 L746 I802 Y817 W818 | V732-V804 HydrophobicContact CB-CG2 4.22Å; V732-V804 PolarHBondContact N-O 2.97Å; V732-V804 WeakPolarHBondContact O-CG2 3.5Å; V732-V804 PolarHBondContact O-N 2.69Å; L734-V804 HydrophobicContact CB-CG2 4.39Å; L734-V804 HydrophobicContact CD1-CG1 4.19Å; L734-V804 HydrophobicContact CD1-CG2 3.62Å; L734-V804 HydrophobicContact CG-CG2 3.62Å; L746-V804 HydrophobicContact CD1-CG1 4.15Å; L746-V804 HydrophobicContact CD2-CG1 4.08Å; I802-V804 HydrophobicContact CG2-CG1 4.46Å; V804-Y817 HydrophobicContact CG2-CD1 3.85Å; V804-Y817 HydrophobicContact CG2-CG 4.46Å; V804-W818 WeakPolarHBondContact CB-O 3.39Å |
| 805 | I | 88.8 | Confident | 70.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.5 | 172.5 | -49.6 | -63.9 | 0 | 0 | 0 | 107.9 | L713 F729 Q730 F731 I807 Y817 W818 F823 | L713-I805 HydrophobicContact CD1-CD1 3.78Å; L713-I805 HydrophobicContact CD1-CG2 4.04Å; F729-I805 HydrophobicContact CB-CG2 4.13Å; F729-I805 HydrophobicContact CD1-CG2 4.18Å; Q730-I805 CarbonylContact O-C 3.5Å; Q730-I805 WeakPolarHBondContact O-CA 3.44Å; F731-I805 HydrophobicContact CD1-CD1 3.44Å; F731-I805 VanDerWaalsContact CD1-CD1 3.44Å; F731-I805 HydrophobicContact CE1-CD1 3.41Å; F731-I805 VanDerWaalsContact CE1-CD1 3.41Å; F731-I805 HydrophobicContact CG-CD1 4.34Å; F731-I805 HydrophobicContact CZ-CD1 4.28Å; I805-I807 HydrophobicContact CG2-CG1 4.43Å; I805-I807 WeakPolarHBondContact O-CD1 3.42Å; I805-Y817 CarbonylContact O-C 3.48Å; I805-Y817 VanDerWaalsContact O-CA 3.29Å; I805-Y817 WeakPolarHBondContact O-CA 3.45Å; I805-W818 PolarHBondContact N-O 3.03Å; I805-W818 PolarHBondContact O-N 2.83Å; I805-F823 HydrophobicContact CB-CB 4.32Å; I805-F823 HydrophobicContact CB-CD2 4.35Å; I805-F823 HydrophobicContact CB-CG 4.28Å; I805-F823 HydrophobicContact CD1-CD1 4.09Å; I805-F823 HydrophobicContact CD1-CE1 4.42Å; I805-F823 HydrophobicContact CD1-CG 4.36Å; I805-F823 HydrophobicContact CG1-CB 3.67Å; I805-F823 HydrophobicContact CG1-CD1 3.83Å; I805-F823 HydrophobicContact CG1-CD2 4.15Å; I805-F823 HydrophobicContact CG1-CG 3.62Å; I805-F823 HydrophobicContact CG2-CD2 3.91Å; I805-F823 HydrophobicContact CG2-CE2 4.17Å; I805-F823 HydrophobicContact CG2-CG 4.27Å |
| 806 | E | 89.3 | Confident | 72.7 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 129.7 | 162.8 | -174.2 | -176 | 138.2 | 0 | 0 | 108.6 | F729 Q730 V732 R808 I815 Q816 Y817 | F729-E806 CarbonylContact C-O 3.46Å; F729-E806 WeakPolarHBondContact CA-O 3.4Å; Q730-E806 HydrophobicContact CB-CB 4.48Å; Q730-E806 PolarHBondContact N-O 3.47Å; Q730-E806 PolarHBondContact O-N 2.94Å; V732-E806 HydrophobicContact CB-CB 4.5Å; V732-E806 HydrophobicContact CG2-CB 3.67Å; V732-E806 WeakPolarHBondContact CG2-OE2 3.21Å; E806-R808 IonicContact OE1-CZ 2.65Å; E806-R808 IonicContact OE1-NE 3.77Å; E806-R808 PolarHBondContact OE1-NE 2.87Å; E806-R808 IonicContact OE1-NH2 2.76Å; E806-R808 PolarHBondContact OE1-NH2 3.06Å; E806-I815 HydrophobicContact CG-CG2 3.54Å; E806-Q816 WeakPolarHBondContact CA-O 3.31Å; E806-Y817 HydrophobicContact CB-CD1 4.23Å; E806-Y817 HydrophobicContact CB-CE1 4.07Å; E806-Y817 HydrophobicContact CG-CE1 4.08Å |
| 807 | I | 88.6 | Confident | 75.1 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 115.5 | 174 | -52.1 | 92.7 | 0 | 0 | 0 | 107 | V727 Q728 F729 I805 I815 Q816 W818 | V727-I807 HydrophobicContact CG1-CG2 3.3Å; Q728-I807 WeakPolarHBondContact O-CA 3.33Å; F729-I807 HydrophobicContact CD1-CB 4.37Å; F729-I807 HydrophobicContact CD1-CG1 3.76Å; F729-I807 HydrophobicContact CD1-CG2 4.11Å; F729-I807 HydrophobicContact CE1-CB 4.36Å; F729-I807 HydrophobicContact CE1-CG1 3.83Å; F729-I807 HydrophobicContact CE1-CG2 3.71Å; F729-I807 HydrophobicContact CZ-CG2 4.38Å; I805-I807 HydrophobicContact CG2-CG1 4.43Å; I805-I807 WeakPolarHBondContact O-CD1 3.42Å; I807-I815 CarbonylContact O-C 3.59Å; I807-I815 WeakPolarHBondContact O-CA 3.04Å; I807-Q816 HydrophobicContact CB-CB 4.38Å; I807-Q816 HydrophobicContact CD1-CB 4.3Å; I807-Q816 PolarHBondContact N-O 2.73Å; I807-Q816 PolarHBondContact O-N 3.4Å; I807-W818 HydrophobicContact CD1-CB 3.73Å; I807-W818 HydrophobicContact CD1-CD2 3.35Å; I807-W818 HydrophobicContact CD1-CE3 3.86Å; I807-W818 HydrophobicContact CD1-CG 3.3Å; I807-W818 HydrophobicContact CD1-CZ2 4.4Å; I807-W818 HydrophobicContact CG1-CD2 3.82Å; I807-W818 HydrophobicContact CG1-CE3 3.89Å; I807-W818 HydrophobicContact CG1-CG 4.29Å; I807-W818 HydrophobicContact CG1-CH2 4.29Å; I807-W818 HydrophobicContact CG1-CZ2 4.24Å; I807-W818 HydrophobicContact CG1-CZ3 4.14Å |
| 808 | R | 88.4 | Confident | 77.3 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.6 | 179.8 | -178.7 | -179.2 | -63 | -93.9 | -4.8 | 110.3 | V727 Q728 E806 L810 D813 S814 I815 | V727-R808 CarbonylContact C-O 3.53Å; V727-R808 WeakPolarHBondContact CA-O 3.35Å; Q728-R808 HydrophobicContact CB-CB 4.47Å; Q728-R808 PolarHBondContact N-O 2.92Å; Q728-R808 PolarHBondContact O-N 3.41Å; E806-R808 IonicContact OE1-CZ 2.65Å; E806-R808 IonicContact OE1-NE 3.77Å; E806-R808 PolarHBondContact OE1-NE 2.87Å; E806-R808 IonicContact OE1-NH2 2.76Å; E806-R808 PolarHBondContact OE1-NH2 3.06Å; R808-L810 HydrophobicContact CG-CD2 4.09Å; R808-L810 PolarHBondContact O-N 3.08Å; R808-D813 IonicContact CZ-OD1 2.77Å; R808-D813 IonicContact NH1-OD1 2.99Å; R808-D813 PolarHBondContact NH1-OD1 3.13Å; R808-S814 WeakPolarHBondContact CA-O 3.47Å; R808-I815 VanDerWaalsContact NH2-CD1 3.27Å |
| 809 | D | 83.7 | Confident | 79 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 106.7 | 171.5 | 172.7 | 23.3 | 0 | 0 | 0 | 110.2 | L811 S812 D813 S814 R875 | D809-L811 PolarHBondContact O-N 3.42Å; D809-L811 WeakPolarHBondContact OD1-CB 3.3Å; D809-L811 PolarHBondContact OD1-N 2.93Å; D809-S812 WeakPolarHBondContact CB-OG 3.3Å; D809-S812 VanDerWaalsContact CG-OG 3.24Å; D809-S812 PolarHBondContact O-N 2.85Å; D809-S812 VanDerWaalsContact O-N 3.15Å; D809-S812 WeakPolarHBondContact OD2-CB 3.27Å; D809-S812 PolarHBondContact OD2-N 2.81Å; D809-S812 PolarHBondContact OD2-OG 2.9Å; D809-D813 VanDerWaalsContact O-CA 3.25Å; D809-D813 WeakPolarHBondContact O-CA 3.29Å; D809-D813 PolarHBondContact O-N 2.85Å; D809-S814 PolarHBondContact N-O 3.32Å; D809-R875 VanDerWaalsContact CG-NH1 3.28Å; D809-R875 VanDerWaalsContact CG-NH2 3.31Å; D809-R875 IonicContact OD1-CZ 3.87Å; D809-R875 IonicContact OD1-NH1 2.66Å; D809-R875 IonicContact OD1-NH2 3.1Å; D809-R875 PolarHBondContact OD1-NH2 2.74Å; D809-R875 IonicContact OD2-CZ 3.3Å; D809-R875 IonicContact OD2-NH1 2.73Å; D809-R875 PolarHBondContact OD2-NH1 3.15Å; D809-R875 IonicContact OD2-NH2 2.81Å |
| 810 | L | 83.8 | Confident | 80.6 | Confident | 97 Ų | 97 | 43 Ų | 43 | 51% | 0.508 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -0.3 | -177.6 | -50.8 | 171 | 0 | 0 | 0 | 113.3 | K726 Q728 R808 | K726-L810 HydrophobicContact CB-CB 4.27Å; K726-L810 VanDerWaalsContact O-CB 3.27Å; K726-L810 WeakPolarHBondContact O-CB 3.43Å; K726-L810 WeakPolarHBondContact O-CG 3.18Å; K726-L810 PolarHBondContact O-N 2.86Å; Q728-L810 HydrophobicContact CB-CD1 4.46Å; Q728-L810 HydrophobicContact CB-CD2 4.37Å; R808-L810 HydrophobicContact CG-CD2 4.09Å; R808-L810 PolarHBondContact O-N 3.08Å |
| 811 | L | 77.5 | Confident | 81.3 | Confident | 116 Ų | 116 | 46.6 Ų | 46.6 | 61% | 0.607 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -29.3 | 169.8 | -71.4 | 172 | 0 | 0 | 0 | 113.8 | K726 D809 | K726-L811 HydrophobicContact CB-CD1 4.43Å; K726-L811 HydrophobicContact CB-CG 4.12Å; K726-L811 HydrophobicContact CD-CD1 4.25Å; K726-L811 HydrophobicContact CD-CD2 3.66Å; K726-L811 HydrophobicContact CD-CG 3.82Å; D809-L811 PolarHBondContact O-N 3.42Å; D809-L811 WeakPolarHBondContact OD1-CB 3.3Å; D809-L811 PolarHBondContact OD1-N 2.93Å |
| 812 | S | 77.7 | Confident | 81.8 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 49% | 0.49 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -8.9 | -179.4 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | D809 S814 | D809-S812 WeakPolarHBondContact CB-OG 3.3Å; D809-S812 VanDerWaalsContact CG-OG 3.24Å; D809-S812 PolarHBondContact O-N 2.85Å; D809-S812 VanDerWaalsContact O-N 3.15Å; D809-S812 WeakPolarHBondContact OD2-CB 3.27Å; D809-S812 PolarHBondContact OD2-N 2.81Å; D809-S812 PolarHBondContact OD2-OG 2.9Å; S812-S814 PolarHBondContact O-N 2.78Å; S812-S814 VanDerWaalsContact O-N 3.14Å; S812-S814 WeakPolarHBondContact OG-CB 3.33Å; S812-S814 PolarHBondContact OG-N 2.8Å; S812-S814 PolarHBondContact OG-OG 3.4Å |
| 813 | D | 75.5 | Confident | 82.5 | Confident | 106 Ų | 106 | 46.9 Ų | 46.9 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 23.8 | -164.9 | -153.2 | 21.7 | 0 | 0 | 0 | 113.4 | R808 D809 | R808-D813 IonicContact CZ-OD1 2.77Å; R808-D813 IonicContact NH1-OD1 2.99Å; R808-D813 PolarHBondContact NH1-OD1 3.13Å; D809-D813 VanDerWaalsContact O-CA 3.25Å; D809-D813 WeakPolarHBondContact O-CA 3.29Å; D809-D813 PolarHBondContact O-N 2.85Å |
| 814 | S | 76.3 | Confident | 82.5 | Confident | 50 Ų | 50 | 50 Ų | 50 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 138.6 | 173.7 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | R808 D809 S812 | R808-S814 WeakPolarHBondContact CA-O 3.47Å; D809-S814 PolarHBondContact N-O 3.32Å; S812-S814 PolarHBondContact O-N 2.78Å; S812-S814 VanDerWaalsContact O-N 3.14Å; S812-S814 WeakPolarHBondContact OG-CB 3.33Å; S812-S814 PolarHBondContact OG-N 2.8Å; S812-S814 PolarHBondContact OG-OG 3.4Å |
| 815 | I | 79.4 | Confident | 82.1 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.5 | -177.6 | -57.1 | 170 | 0 | 0 | 0 | 108.1 | E806 I807 R808 Y817 | E806-I815 HydrophobicContact CG-CG2 3.54Å; I807-I815 CarbonylContact O-C 3.59Å; I807-I815 WeakPolarHBondContact O-CA 3.04Å; R808-I815 VanDerWaalsContact NH2-CD1 3.27Å; I815-Y817 HydrophobicContact CG2-CE1 4.37Å; I815-Y817 HydrophobicContact CG2-CE2 4.2Å |
| 816 | Q | 81.3 | Confident | 81.9 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 162.1 | 168.6 | -58.7 | -172.6 | 13.6 | 0 | 0 | 109.7 | E806 I807 | E806-Q816 WeakPolarHBondContact CA-O 3.31Å; I807-Q816 HydrophobicContact CB-CB 4.38Å; I807-Q816 HydrophobicContact CD1-CB 4.3Å; I807-Q816 PolarHBondContact N-O 2.73Å; I807-Q816 PolarHBondContact O-N 3.4Å |
| 817 | Y | 84.2 | Confident | 81.7 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.2 | 171.8 | -60.1 | -80.4 | 0 | 0 | 0 | 109.1 | V732 L734 P743 V804 I805 E806 I815 | V732-Y817 HydrophobicContact CG1-CE1 4.37Å; L734-Y817 HydrophobicContact CD1-CD1 4.23Å; L734-Y817 HydrophobicContact CD1-CG 4.18Å; L734-Y817 HydrophobicContact CD2-CE1 4.22Å; P743-Y817 HydrophobicContact CG-CD2 3.94Å; V804-Y817 HydrophobicContact CG2-CD1 3.85Å; V804-Y817 HydrophobicContact CG2-CG 4.46Å; I805-Y817 CarbonylContact O-C 3.48Å; I805-Y817 VanDerWaalsContact O-CA 3.29Å; I805-Y817 WeakPolarHBondContact O-CA 3.45Å; E806-Y817 HydrophobicContact CB-CD1 4.23Å; E806-Y817 HydrophobicContact CB-CE1 4.07Å; E806-Y817 HydrophobicContact CG-CE1 4.08Å; I815-Y817 HydrophobicContact CG2-CE1 4.37Å; I815-Y817 HydrophobicContact CG2-CE2 4.2Å |
| 818 | W | 83.5 | Confident | 81.3 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 145.5 | 173.5 | -65.4 | -14.4 | 0 | 0 | 0 | 110.5 | F729 V804 I805 I807 T822 F823 R826 M830 | F729-W818 HydrophobicContact CE1-CH2 4.26Å; F729-W818 AromaticContact CE1-CZ3 3.89Å; F729-W818 HydrophobicContact CE1-CZ3 3.89Å; V804-W818 WeakPolarHBondContact CB-O 3.39Å; I805-W818 PolarHBondContact N-O 3.03Å; I805-W818 PolarHBondContact O-N 2.83Å; I807-W818 HydrophobicContact CD1-CB 3.73Å; I807-W818 HydrophobicContact CD1-CD2 3.35Å; I807-W818 HydrophobicContact CD1-CE3 3.86Å; I807-W818 HydrophobicContact CD1-CG 3.3Å; I807-W818 HydrophobicContact CD1-CZ2 4.4Å; I807-W818 HydrophobicContact CG1-CD2 3.82Å; I807-W818 HydrophobicContact CG1-CE3 3.89Å; I807-W818 HydrophobicContact CG1-CG 4.29Å; I807-W818 HydrophobicContact CG1-CH2 4.29Å; I807-W818 HydrophobicContact CG1-CZ2 4.24Å; I807-W818 HydrophobicContact CG1-CZ3 4.14Å; W818-T822 HydrophobicContact CB-CG2 3.96Å; W818-T822 HydrophobicContact CD2-CG2 4.39Å; W818-T822 HydrophobicContact CG-CG2 3.92Å; W818-F823 HydrophobicContact CB-CB 4.46Å; W818-F823 HydrophobicContact CE3-CB 4.35Å; W818-F823 HydrophobicContact CE3-CD2 4.12Å; W818-F823 HydrophobicContact CZ3-CD2 4.39Å; W818-R826 HydrophobicContact CE3-CB 4.23Å; W818-R826 HydrophobicContact CH2-CB 4.32Å; W818-R826 VanDerWaalsContact CH2-CD 3.44Å; W818-R826 HydrophobicContact CZ3-CB 3.76Å; W818-R826 VanDerWaalsContact CZ3-CD 3.45Å; W818-R826 HydrophobicContact CZ3-CG 4.26Å; W818-M830 HydrophobicContact CH2-CE 3.95Å; W818-M830 HydrophobicContact CZ3-CE 3.7Å |
| 819 | S | 82.1 | Confident | 80.8 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 156.6 | 167.1 | 85 | 0 | 0 | 0 | 0 | 110 | N821 T822 F823 | S819-N821 PolarHBondContact O-N 2.94Å; S819-T822 WeakPolarHBondContact O-CB 3.42Å; S819-T822 PolarHBondContact O-N 2.81Å; S819-T822 VanDerWaalsContact O-N 3.09Å; S819-T822 WeakPolarHBondContact OG-CB 3.37Å; S819-T822 PolarHBondContact OG-N 2.81Å; S819-T822 PolarHBondContact OG-OG1 2.81Å; S819-F823 PolarHBondContact O-N 2.86Å |
| 820 | L | 81.4 | Confident | 81.1 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -52.6 | -44.4 | 177.8 | -160.7 | 94.6 | 0 | 0 | 0 | 111.8 | N709 F731 L803 F823 Q824 | N709-L820 HydrophobicContact CB-CD1 4.04Å; N709-L820 WeakPolarHBondContact ND2-CD2 3.25Å; F731-L820 HydrophobicContact CE1-CD1 4.47Å; L803-L820 HydrophobicContact CD2-CD1 4.11Å; L803-L820 HydrophobicContact CG-CD1 4.49Å; L820-F823 PolarHBondContact O-N 2.88Å; L820-Q824 WeakPolarHBondContact O-CG 3.47Å; L820-Q824 PolarHBondContact O-N 3.06Å |
| 821 | N | 76.5 | Confident | 81.1 | Confident | 97 Ų | 97 | 55.4 Ų | 55.4 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67 | -43 | 177.5 | -62.8 | 13.9 | 0 | 0 | 0 | 111.8 | S819 F823 Q824 R825 | S819-N821 PolarHBondContact O-N 2.94Å; N821-F823 VanDerWaalsContact C-N 3.25Å; N821-F823 PolarHBondContact O-N 3.26Å; N821-Q824 PolarHBondContact O-N 3.38Å; N821-R825 WeakPolarHBondContact O-CG 3.21Å; N821-R825 PolarHBondContact O-N 2.88Å |
| 822 | T | 79.7 | Confident | 80.9 | Confident | 46 Ų | 46 | 53 Ų | 53 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 176.8 | -53.5 | 0 | 0 | 0 | 0 | 111 | W818 S819 R826 | W818-T822 HydrophobicContact CB-CG2 3.96Å; W818-T822 HydrophobicContact CD2-CG2 4.39Å; W818-T822 HydrophobicContact CG-CG2 3.92Å; S819-T822 WeakPolarHBondContact O-CB 3.42Å; S819-T822 PolarHBondContact O-N 2.81Å; S819-T822 VanDerWaalsContact O-N 3.09Å; S819-T822 WeakPolarHBondContact OG-CB 3.37Å; S819-T822 PolarHBondContact OG-N 2.81Å; S819-T822 PolarHBondContact OG-OG1 2.81Å; T822-R826 WeakPolarHBondContact O-CB 3.28Å; T822-R826 WeakPolarHBondContact O-CG 3.28Å; T822-R826 PolarHBondContact O-N 2.87Å; T822-R826 VanDerWaalsContact O-N 3.12Å |
| 823 | F | 87.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -45.8 | 175.7 | 173.5 | -107.7 | 0 | 0 | 0 | 112.6 | Y712 A716 F729 I805 W818 S819 L820 N821 R825 R826 L827 | Y712-F823 WeakPolarHBondContact O-CZ 3.49Å; A716-F823 HydrophobicContact CB-CE2 3.57Å; A716-F823 HydrophobicContact CB-CZ 3.55Å; F729-F823 HydrophobicContact CB-CE2 4.41Å; F729-F823 HydrophobicContact CD1-CD2 4.2Å; F729-F823 AromaticContact CD1-CE2 3.73Å; F729-F823 HydrophobicContact CD1-CE2 3.73Å; F729-F823 HydrophobicContact CE1-CE2 4.23Å; F729-F823 HydrophobicContact CG-CE2 4.1Å; I805-F823 HydrophobicContact CB-CB 4.32Å; I805-F823 HydrophobicContact CB-CD2 4.35Å; I805-F823 HydrophobicContact CB-CG 4.28Å; I805-F823 HydrophobicContact CD1-CD1 4.09Å; I805-F823 HydrophobicContact CD1-CE1 4.42Å; I805-F823 HydrophobicContact CD1-CG 4.36Å; I805-F823 HydrophobicContact CG1-CB 3.67Å; I805-F823 HydrophobicContact CG1-CD1 3.83Å; I805-F823 HydrophobicContact CG1-CD2 4.15Å; I805-F823 HydrophobicContact CG1-CG 3.62Å; I805-F823 HydrophobicContact CG2-CD2 3.91Å; I805-F823 HydrophobicContact CG2-CE2 4.17Å; I805-F823 HydrophobicContact CG2-CG 4.27Å; W818-F823 HydrophobicContact CB-CB 4.46Å; W818-F823 HydrophobicContact CE3-CB 4.35Å; W818-F823 HydrophobicContact CE3-CD2 4.12Å; W818-F823 HydrophobicContact CZ3-CD2 4.39Å; S819-F823 PolarHBondContact O-N 2.86Å; L820-F823 PolarHBondContact O-N 2.88Å; N821-F823 VanDerWaalsContact C-N 3.25Å; N821-F823 PolarHBondContact O-N 3.26Å; F823-R825 PolarHBondContact O-N 3.35Å; F823-R826 PolarHBondContact O-N 3.08Å; F823-R826 VanDerWaalsContact O-N 3.15Å; F823-L827 HydrophobicContact CE1-CD2 4.32Å; F823-L827 HydrophobicContact CZ-CD2 4.28Å; F823-L827 WeakPolarHBondContact O-CB 3.19Å; F823-L827 PolarHBondContact O-N 2.83Å |
| 824 | Q | 81.9 | Confident | 81.4 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.9 | -47.5 | 175.3 | -73.7 | 176.2 | -7.7 | 0 | 0 | 111.9 | N709 L820 N821 R826 L827 Q828 | N709-Q824 PolarHBondContact OD1-NE2 2.73Å; L820-Q824 WeakPolarHBondContact O-CG 3.47Å; L820-Q824 PolarHBondContact O-N 3.06Å; N821-Q824 PolarHBondContact O-N 3.38Å; Q824-R826 VanDerWaalsContact C-N 3.31Å; Q824-R826 PolarHBondContact O-N 2.73Å; Q824-L827 PolarHBondContact O-N 3.25Å; Q824-Q828 PolarHBondContact O-N 3.09Å |
| 825 | R | 76.6 | Confident | 81.2 | Confident | 110 Ų | 110 | 50.1 Ų | 50.1 | 42% | 0.415 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.8 | -39.8 | 175.2 | -70.1 | 179.2 | -172.7 | 160.7 | 2.9 | 112.8 | N821 F823 A829 E863 | N821-R825 WeakPolarHBondContact O-CG 3.21Å; N821-R825 PolarHBondContact O-N 2.88Å; F823-R825 PolarHBondContact O-N 3.35Å; R825-A829 PolarHBondContact O-N 3.41Å; R825-E863 WeakPolarHBondContact CD-OE2 3.42Å; R825-E863 IonicContact CZ-OE1 3.6Å; R825-E863 VanDerWaalsContact CZ-OE1 3.3Å; R825-E863 IonicContact CZ-OE2 2.75Å; R825-E863 VanDerWaalsContact NE-CD 3.26Å; R825-E863 IonicContact NE-OE1 3.63Å; R825-E863 PolarHBondContact NE-OE1 3.45Å; R825-E863 IonicContact NE-OE2 3.09Å; R825-E863 PolarHBondContact NE-OE2 2.84Å; R825-E863 IonicContact NH2-OE1 2.74Å; R825-E863 PolarHBondContact NH2-OE1 2.93Å; R825-E863 IonicContact NH2-OE2 3.89Å |
| 826 | R | 84.6 | Confident | 80.7 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79 | -31.5 | -178.5 | -76.2 | -177.7 | 168.3 | -115.6 | -1.5 | 113.5 | W818 T822 F823 Q824 Q828 A829 M830 R875 N876 | W818-R826 HydrophobicContact CE3-CB 4.23Å; W818-R826 HydrophobicContact CH2-CB 4.32Å; W818-R826 VanDerWaalsContact CH2-CD 3.44Å; W818-R826 HydrophobicContact CZ3-CB 3.76Å; W818-R826 VanDerWaalsContact CZ3-CD 3.45Å; W818-R826 HydrophobicContact CZ3-CG 4.26Å; T822-R826 WeakPolarHBondContact O-CB 3.28Å; T822-R826 WeakPolarHBondContact O-CG 3.28Å; T822-R826 PolarHBondContact O-N 2.87Å; T822-R826 VanDerWaalsContact O-N 3.12Å; F823-R826 PolarHBondContact O-N 3.08Å; F823-R826 VanDerWaalsContact O-N 3.15Å; Q824-R826 VanDerWaalsContact C-N 3.31Å; Q824-R826 PolarHBondContact O-N 2.73Å; R826-Q828 VanDerWaalsContact C-N 3.3Å; R826-Q828 PolarHBondContact O-N 3Å; R826-A829 CarbonylContact O-C 3.46Å; R826-A829 PolarHBondContact O-N 2.82Å; R826-A829 VanDerWaalsContact O-N 3.14Å; R826-M830 HydrophobicContact CB-CE 4.26Å; R826-M830 WeakPolarHBondContact O-CG 3.34Å; R826-M830 PolarHBondContact O-N 2.83Å; R826-R875 PolarHBondContact NH1-O 3.49Å; R826-N876 PolarHBondContact NH2-OD1 3.42Å |
| 827 | L | 86.5 | Confident | 80.2 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | 172.8 | 177.2 | 54.1 | 0 | 0 | 0 | 111.4 | Y712 E715 A716 L719 F823 Q824 A829 M830 H831 | Y712-L827 VanDerWaalsContact CB-CD2 3.47Å; Y712-L827 HydrophobicContact CD1-CD2 3.92Å; Y712-L827 HydrophobicContact CG-CD2 4.06Å; Y712-L827 WeakPolarHBondContact O-CD2 3.4Å; E715-L827 HydrophobicContact CB-CD1 4.42Å; E715-L827 HydrophobicContact CB-CD2 4.42Å; E715-L827 HydrophobicContact CG-CD1 4.24Å; E715-L827 WeakPolarHBondContact OE2-CD2 3.43Å; A716-L827 HydrophobicContact CB-CD1 3.88Å; L719-L827 HydrophobicContact CD1-CD1 3.89Å; F823-L827 HydrophobicContact CE1-CD2 4.32Å; F823-L827 HydrophobicContact CZ-CD2 4.28Å; F823-L827 WeakPolarHBondContact O-CB 3.19Å; F823-L827 PolarHBondContact O-N 2.83Å; Q824-L827 PolarHBondContact O-N 3.25Å; L827-A829 PolarHBondContact O-N 2.73Å; L827-M830 HydrophobicContact CD1-CB 4.45Å; L827-M830 HydrophobicContact CD1-SD 4.33Å; L827-M830 WeakPolarHBondContact O-CB 3.29Å; L827-M830 PolarHBondContact O-N 2.78Å; L827-M830 VanDerWaalsContact O-N 3.13Å; L827-H831 PolarHBondContact O-CD2 2.68Å; L827-H831 VanDerWaalsContact O-CD2 3.28Å; L827-H831 PolarHBondContact O-N 3.23Å |
| 828 | Q | 78.8 | Confident | 79.5 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.4 | -50.7 | 168.6 | 172.1 | 172.5 | -32.8 | 0 | 0 | 111.4 | Q824 R826 M830 H831 D832 | Q824-Q828 PolarHBondContact O-N 3.09Å; R826-Q828 VanDerWaalsContact C-N 3.3Å; R826-Q828 PolarHBondContact O-N 3Å; Q828-M830 VanDerWaalsContact C-N 3.25Å; Q828-M830 PolarHBondContact O-N 3.07Å; Q828-H831 WeakPolarHBondContact O-CB 3.37Å; Q828-H831 PolarHBondContact O-N 3.15Å; Q828-H831 VanDerWaalsContact O-N 3.08Å; Q828-D832 PolarHBondContact O-N 2.75Å |
| 829 | A | 79.4 | Confident | 78.2 | Confident | 37 Ų | 37 | 54 Ų | 54 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.2 | -25.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R825 R826 L827 Y833 P873 | R825-A829 PolarHBondContact O-N 3.41Å; R826-A829 CarbonylContact O-C 3.46Å; R826-A829 PolarHBondContact O-N 2.82Å; R826-A829 VanDerWaalsContact O-N 3.14Å; L827-A829 PolarHBondContact O-N 2.73Å; A829-Y833 VanDerWaalsContact O-CB 3.3Å; A829-Y833 WeakPolarHBondContact O-CB 3.28Å; A829-Y833 PolarHBondContact O-N 3.36Å; A829-P873 HydrophobicContact CB-CB 3.81Å; A829-P873 WeakPolarHBondContact O-CG 3.43Å |
| 830 | M | 88.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.4 | -36.2 | 172 | -66.9 | 168.7 | -162.3 | 0 | 0 | 112.3 | A716 L719 F729 W818 R826 L827 Q828 Y834 P873 F874 | A716-M830 HydrophobicContact CB-SD 4.18Å; L719-M830 HydrophobicContact CD1-CB 3.8Å; F729-M830 HydrophobicContact CE1-CE 3.82Å; F729-M830 HydrophobicContact CE2-CE 4.47Å; F729-M830 HydrophobicContact CE2-SD 4.37Å; F729-M830 HydrophobicContact CZ-CE 3.5Å; F729-M830 VanDerWaalsContact CZ-CE 3.5Å; F729-M830 HydrophobicContact CZ-SD 3.93Å; W818-M830 HydrophobicContact CH2-CE 3.95Å; W818-M830 HydrophobicContact CZ3-CE 3.7Å; R826-M830 HydrophobicContact CB-CE 4.26Å; R826-M830 WeakPolarHBondContact O-CG 3.34Å; R826-M830 PolarHBondContact O-N 2.83Å; L827-M830 HydrophobicContact CD1-CB 4.45Å; L827-M830 HydrophobicContact CD1-SD 4.33Å; L827-M830 WeakPolarHBondContact O-CB 3.29Å; L827-M830 PolarHBondContact O-N 2.78Å; L827-M830 VanDerWaalsContact O-N 3.13Å; Q828-M830 VanDerWaalsContact C-N 3.25Å; Q828-M830 PolarHBondContact O-N 3.07Å; M830-Y834 WeakPolarHBondContact O-CB 3.36Å; M830-Y834 PolarHBondContact O-N 3.47Å; M830-P873 HydrophobicContact CB-CG 4.38Å; M830-P873 HydrophobicContact CG-CB 4Å; M830-P873 HydrophobicContact CG-CG 3.91Å; M830-F874 HydrophobicContact CB-CE1 4.34Å; M830-F874 HydrophobicContact CB-CE2 4.1Å; M830-F874 HydrophobicContact CB-CZ 3.79Å; M830-F874 HydrophobicContact CE-CD1 4.2Å; M830-F874 HydrophobicContact CG-CD1 4.19Å; M830-F874 HydrophobicContact CG-CD2 4.16Å; M830-F874 HydrophobicContact CG-CE1 3.83Å; M830-F874 HydrophobicContact CG-CE2 3.81Å; M830-F874 HydrophobicContact CG-CG 4.33Å; M830-F874 HydrophobicContact CG-CZ 3.63Å; M830-F874 HydrophobicContact SD-CD1 3.92Å; M830-F874 HydrophobicContact SD-CE1 3.64Å; M830-F874 HydrophobicContact SD-CZ 4.06Å |
| 831 | H | 83.7 | Confident | 73.9 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 171.1 | -75.5 | -68 | 0 | 0 | 0 | 111 | E715 L827 Q828 Y833 Y834 E835 | E715-H831 IonicContact OE1-CE1 2.77Å; E715-H831 PolarHBondContact OE1-CE1 3.46Å; E715-H831 IonicContact OE1-NE2 3.52Å; E715-H831 PolarHBondContact OE1-NE2 3Å; E715-H831 VanDerWaalsContact OE1-NE2 3.12Å; E715-H831 IonicContact OE2-NE2 2.79Å; E715-H831 PolarHBondContact OE2-NE2 2.66Å; L827-H831 PolarHBondContact O-CD2 2.68Å; L827-H831 VanDerWaalsContact O-CD2 3.28Å; L827-H831 PolarHBondContact O-N 3.23Å; Q828-H831 WeakPolarHBondContact O-CB 3.37Å; Q828-H831 PolarHBondContact O-N 3.15Å; Q828-H831 VanDerWaalsContact O-N 3.08Å; H831-Y833 PolarHBondContact O-N 2.8Å; H831-Y834 WeakPolarHBondContact O-CA 3.28Å; H831-Y834 WeakPolarHBondContact O-CB 3.26Å; H831-Y834 PolarHBondContact O-N 3.08Å; H831-E835 PolarHBondContact O-N 3.32Å |
| 832 | D | 75.3 | Confident | 71.8 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.8 | -39.5 | 178.7 | -51.2 | -25 | 0 | 0 | 0 | 111 | Q828 M836 R1444 | Q828-D832 PolarHBondContact O-N 2.75Å; D832-M836 WeakPolarHBondContact O-CB 3.48Å; D832-M836 PolarHBondContact O-N 3.42Å; D832-R1444 WeakPolarHBondContact OD1-CD 3.44Å |
| 833 | Y | 81.5 | Confident | 69.7 | Low | 35 Ų | 35 | 66.1 Ų | 66.1 | 14% | 0.137 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.3 | -33 | 174 | -171.4 | -76.5 | 0 | 0 | 0 | 112.9 | L723 K725 A829 H831 M836 E837 K871 P873 | L723-Y833 HydrophobicContact CD1-CD1 3.78Å; L723-Y833 HydrophobicContact CD1-CE1 4.26Å; K725-Y833 PolarHBondContact NZ-OH 2.79Å; A829-Y833 VanDerWaalsContact O-CB 3.3Å; A829-Y833 WeakPolarHBondContact O-CB 3.28Å; A829-Y833 PolarHBondContact O-N 3.36Å; H831-Y833 PolarHBondContact O-N 2.8Å; Y833-M836 HydrophobicContact CD2-CE 4.37Å; Y833-M836 PolarHBondContact O-N 2.83Å; Y833-E837 HydrophobicContact CD1-CG 4.05Å; Y833-E837 HydrophobicContact CE1-CG 3.5Å; Y833-E837 VanDerWaalsContact CE1-CG 3.5Å; Y833-E837 VanDerWaalsContact CE1-OE1 3.25Å; Y833-E837 WeakPolarHBondContact CE1-OE1 3.15Å; Y833-E837 VanDerWaalsContact CZ-OE1 3.23Å; Y833-E837 PolarHBondContact O-N 3.03Å; Y833-E837 PolarHBondContact OH-OE1 2.83Å; Y833-K871 WeakPolarHBondContact CD2-O 3.47Å; Y833-P873 HydrophobicContact CD2-CG 4.15Å; Y833-P873 HydrophobicContact CG-CG 3.96Å |
| 834 | Y | 80.8 | Confident | 67 | Low | 53 Ų | 53 | 73.9 Ų | 73.9 | 21% | 0.208 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69 | -47.4 | 177 | 176.8 | -95.3 | 0 | 0 | 0 | 112.2 | L719 E722 L723 M830 H831 M836 E837 T838 | L719-Y834 HydrophobicContact CD2-CD1 4.22Å; L719-Y834 HydrophobicContact CD2-CD2 3.79Å; L719-Y834 HydrophobicContact CD2-CE2 4.38Å; L719-Y834 HydrophobicContact CD2-CG 3.71Å; E722-Y834 HydrophobicContact CB-CE2 3.98Å; L723-Y834 HydrophobicContact CD1-CD2 4.16Å; L723-Y834 HydrophobicContact CD2-CD2 3.92Å; L723-Y834 HydrophobicContact CG-CD2 3.88Å; M830-Y834 WeakPolarHBondContact O-CB 3.36Å; M830-Y834 PolarHBondContact O-N 3.47Å; H831-Y834 WeakPolarHBondContact O-CA 3.28Å; H831-Y834 WeakPolarHBondContact O-CB 3.26Å; H831-Y834 PolarHBondContact O-N 3.08Å; Y834-M836 VanDerWaalsContact C-N 3.26Å; Y834-M836 PolarHBondContact O-N 2.69Å; Y834-E837 PolarHBondContact O-N 2.67Å; Y834-T838 HydrophobicContact CD1-CG2 4.39Å; Y834-T838 HydrophobicContact CD2-CG2 4.04Å; Y834-T838 HydrophobicContact CE1-CG2 4.03Å; Y834-T838 HydrophobicContact CE2-CG2 3.64Å; Y834-T838 HydrophobicContact CG-CG2 4.39Å; Y834-T838 WeakPolarHBondContact O-CB 3.47Å; Y834-T838 WeakPolarHBondContact O-CG2 3.3Å; Y834-T838 PolarHBondContact O-N 2.93Å; Y834-T838 PolarHBondContact O-OG1 3.36Å |
| 835 | E | 72.6 | Confident | 64.5 | Low | 78 Ų | 78 | 80.3 Ų | 80.3 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 174.1 | -65.8 | -154.3 | -167.9 | 0 | 0 | 110.4 | H831 T838 A839 R1444 | H831-E835 PolarHBondContact O-N 3.32Å; E835-T838 PolarHBondContact O-OG1 2.78Å; E835-A839 VanDerWaalsContact O-CB 3.28Å; E835-A839 WeakPolarHBondContact O-CB 3.33Å; E835-A839 PolarHBondContact O-N 2.79Å; E835-A839 VanDerWaalsContact O-N 3.13Å; E835-R1444 PolarHBondContact OE1-N 2.73Å |
| 836 | M | 69.5 | Low | 62.3 | Low | 72 Ų | 72 | 79.6 Ų | 79.6 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 178.1 | -169.8 | 176 | 63.3 | 0 | 0 | 114.3 | D832 Y833 Y834 F840 | D832-M836 WeakPolarHBondContact O-CB 3.48Å; D832-M836 PolarHBondContact O-N 3.42Å; Y833-M836 HydrophobicContact CD2-CE 4.37Å; Y833-M836 PolarHBondContact O-N 2.83Å; Y834-M836 VanDerWaalsContact C-N 3.26Å; Y834-M836 PolarHBondContact O-N 2.69Å; M836-F840 WeakPolarHBondContact O-CD2 3.46Å |
| 837 | E | 69.6 | Low | 59.6 | Low | 96 Ų | 96 | 83.1 Ų | 83.1 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -77.9 | -39.2 | 176.8 | -73.6 | -114.8 | -144.2 | 0 | 0 | 112.6 | L723 Y833 Y834 A839 F840 | L723-E837 HydrophobicContact CD2-CB 3.83Å; L723-E837 HydrophobicContact CD2-CG 4.32Å; Y833-E837 HydrophobicContact CD1-CG 4.05Å; Y833-E837 HydrophobicContact CE1-CG 3.5Å; Y833-E837 VanDerWaalsContact CE1-CG 3.5Å; Y833-E837 VanDerWaalsContact CE1-OE1 3.25Å; Y833-E837 WeakPolarHBondContact CE1-OE1 3.15Å; Y833-E837 VanDerWaalsContact CZ-OE1 3.23Å; Y833-E837 PolarHBondContact O-N 3.03Å; Y833-E837 PolarHBondContact OH-OE1 2.83Å; Y834-E837 PolarHBondContact O-N 2.67Å; E837-A839 VanDerWaalsContact C-N 3.34Å; E837-A839 PolarHBondContact O-N 3.45Å; E837-F840 PolarHBondContact O-N 2.74Å |
| 838 | T | 69 | Low | 56.9 | Low | 80 Ų | 80 | 91.7 Ų | 91.7 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.2 | -25.5 | -177.4 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | Y834 E835 F840 | Y834-T838 HydrophobicContact CD1-CG2 4.39Å; Y834-T838 HydrophobicContact CD2-CG2 4.04Å; Y834-T838 HydrophobicContact CE1-CG2 4.03Å; Y834-T838 HydrophobicContact CE2-CG2 3.64Å; Y834-T838 HydrophobicContact CG-CG2 4.39Å; Y834-T838 WeakPolarHBondContact O-CB 3.47Å; Y834-T838 WeakPolarHBondContact O-CG2 3.3Å; Y834-T838 PolarHBondContact O-N 2.93Å; Y834-T838 PolarHBondContact O-OG1 3.36Å; E835-T838 PolarHBondContact O-OG1 2.78Å; T838-F840 VanDerWaalsContact C-N 3.25Å; T838-F840 PolarHBondContact O-N 3.12Å |
| 839 | A | 56.4 | Low | 54.3 | Low | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E835 E837 S841 N1448 | E835-A839 VanDerWaalsContact O-CB 3.28Å; E835-A839 WeakPolarHBondContact O-CB 3.33Å; E835-A839 PolarHBondContact O-N 2.79Å; E835-A839 VanDerWaalsContact O-N 3.13Å; E837-A839 VanDerWaalsContact C-N 3.34Å; E837-A839 PolarHBondContact O-N 3.45Å; A839-S841 PolarHBondContact O-N 2.85Å; A839-N1448 HydrophobicContact CB-CB 3.61Å |
| 840 | F | 40.4 | Very low | 51.7 | Low | 139 Ų | 139 | 103.5 Ų | 103.5 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | trans | -98 | 93.4 | -173.1 | -87.8 | -89.1 | 0 | 0 | 0 | 114.2 | M836 E837 T838 | M836-F840 WeakPolarHBondContact O-CD2 3.46Å; E837-F840 PolarHBondContact O-N 2.74Å; T838-F840 VanDerWaalsContact C-N 3.25Å; T838-F840 PolarHBondContact O-N 3.12Å | ||
| 841 | S | 33.3 | Very low | 48.7 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 56% | 0.559 | 58% | 0.583 | S | S | * | * | trans | -65.8 | 139.7 | 173.5 | -163.8 | 0 | 0 | 0 | 0 | 112.6 | A839 T843 | A839-S841 PolarHBondContact O-N 2.85Å; S841-T843 PolarHBondContact O-N 2.98Å | ||
| 842 | P | 32.1 | Very low | 46.1 | Very low | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -85.1 | 25.9 | -147.7 | -16.7 | 34.6 | 0 | 0 | 0 | 118.3 | ||
| 843 | T | 35.2 | Very low | 43.8 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 76% | 0.761 | 62% | 0.62 | S | S | * | * | trans | -85.4 | -6.2 | -163.8 | -4.3 | 0 | 0 | 0 | 0 | 117 | S841 | S841-T843 PolarHBondContact O-N 2.98Š| ||
| 844 | L | 31.7 | Very low | 41.3 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 86% | 0.859 | 66% | 0.656 | S | S | * | * | trans | -133.3 | 93 | -177.8 | -76.6 | 169.1 | 0 | 0 | 0 | 112.5 | ||||
| 845 | K | 29.9 | Very low | 38.8 | Very low | 211 Ų | 211 | 127.8 Ų | 127.8 | 92% | 0.917 | 67% | 0.671 | S | S | * | * | trans | -126.6 | 75.4 | 168.8 | -86.6 | -168.7 | 173.4 | 179.3 | 0 | 112 | ||||
| 846 | S | 29.9 | Very low | 36.8 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | trans | -169.2 | 134.8 | 162.7 | 52 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 847 | T | 28.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 51.3 | 115.2 | 157.2 | 47.2 | 0 | 0 | 0 | 0 | 117.9 | ||
| 848 | E | 28.8 | Very low | 32.9 | Very low | 184 Ų | 184 | 130.6 Ų | 130.6 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | cis | -144.5 | 172.6 | 6.4 | -74.7 | 176.2 | 146 | 0 | 0 | 111.1 | ||||
| 849 | Y | 24.3 | Very low | 30.9 | Very low | 220 Ų | 220 | 131.3 Ų | 131.3 | 86% | 0.863 | 70% | 0.697 | S | S | * | * | trans | -90.7 | 161.9 | -172.8 | -89 | -110.3 | 0 | 0 | 0 | 114.1 | ||||
| 850 | N | 25.1 | Very low | 29.6 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | trans | 94 | 64.7 | 160.5 | -52.1 | -37.9 | 0 | 0 | 0 | 119.4 | ||||
| 851 | T | 25.7 | Very low | 29 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 88% | 0.877 | 71% | 0.707 | S | S | * | * | trans | -157.9 | 119.5 | 134.9 | 5.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 852 | L | 27.9 | Very low | 28.7 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 62% | 0.618 | 72% | 0.716 | S | S | * | * | trans | -142.1 | 114.3 | 179.9 | -81.5 | 168.2 | 0 | 0 | 0 | 106.1 | ||||
| 853 | N | 27.2 | Very low | 28.7 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | 89.8 | 101.1 | 83.3 | -88 | 17.4 | 0 | 0 | 0 | 111.4 | |||||
| 854 | E | 29.8 | Very low | 28.4 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | trans | -135.3 | 125.2 | 158.7 | -73.4 | -177.2 | 168.5 | 0 | 0 | 108.8 | ||||
| 855 | K | 28.5 | Very low | 28.3 | Very low | 118 Ų | 118 | 132 Ų | 132 | 51% | 0.513 | 68% | 0.681 | S | S | . | * | trans | -134.2 | 133.2 | 158 | -72.6 | -167.6 | -149.8 | 126 | 0 | 107.1 | E1447 | K855-E1447 IonicContact NZ-OE2 3.44Å; K855-E1447 PolarHBondContact NZ-OE2 3.16Å | ||
| 856 | P | 29.7 | Very low | 28.5 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | trans | -92 | 139.5 | 173.9 | 33.2 | -30.4 | 0 | 0 | 0 | 111.4 | L1459 | P856-L1459 HydrophobicContact CG-CD2 3.92Š| ||
| 857 | Y | 28.2 | Very low | 28.6 | Very low | 134 Ų | 134 | 128 Ų | 128 | 53% | 0.525 | 66% | 0.657 | S | S | . | * | trans | -127.7 | 172.9 | 162.7 | -93.6 | -68 | 0 | 0 | 0 | 109.6 | E1446 | Y857-E1446 VanDerWaalsContact CB-OE2 3.32Å; Y857-E1446 WeakPolarHBondContact CB-OE2 3.06Å; Y857-E1446 VanDerWaalsContact CD1-CD 3.48Å; Y857-E1446 WeakPolarHBondContact CD1-OE1 3.38Å; Y857-E1446 WeakPolarHBondContact CD1-OE2 3.45Å; Y857-E1446 HydrophobicContact CD2-CB 3.97Å; Y857-E1446 HydrophobicContact CD2-CG 4.29Å; Y857-E1446 WeakPolarHBondContact CD2-OE2 3.13Å; Y857-E1446 HydrophobicContact CE1-CG 4.42Å; Y857-E1446 WeakPolarHBondContact CE1-OE1 3.45Å; Y857-E1446 HydrophobicContact CE2-CB 3.7Å; Y857-E1446 HydrophobicContact CE2-CG 3.98Å | ||
| 858 | N | 28.9 | Very low | 29.2 | Very low | 78 Ų | 78 | 123.6 Ų | 123.6 | 42% | 0.417 | 63% | 0.629 | S | S | . | * | trans | -135.1 | 130.8 | -146.6 | -149.9 | -20.1 | 0 | 0 | 0 | 112.4 | E1462 | N858-E1462 VanDerWaalsContact ND2-CD 3.28Å; N858-E1462 PolarHBondContact ND2-OE1 3.15Å; N858-E1462 PolarHBondContact ND2-OE2 2.82Å; N858-E1462 VanDerWaalsContact ND2-OE2 3.12Å | ||
| 859 | S | 28.3 | Very low | 29.8 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | trans | 167.7 | 159.7 | 142.9 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 860 | N | 27.9 | Very low | 30.8 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 71% | 0.711 | 62% | 0.617 | S | S | * | * | trans | 70.6 | 114.1 | 156.6 | -58.7 | -12.1 | 0 | 0 | 0 | 120.9 | ||||
| 861 | D | 28.8 | Very low | 32.3 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 37 | 110.2 | 131.6 | -61.7 | -47.8 | 0 | 0 | 0 | 121.9 | E863 H1165 | D861-E863 PolarHBondContact O-N 3.23Å; D861-H1165 IonicContact OD1-CE1 2.66Å |
| 862 | N | 26.8 | Very low | 34.5 | Very low | 141 Ų | 141 | 109.4 Ų | 109.4 | 75% | 0.754 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 62.7 | 14 | 138.5 | -63.4 | -54.5 | 0 | 0 | 0 | 120.5 | ||
| 863 | E | 30.9 | Very low | 36.9 | Very low | 113 Ų | 113 | 104.4 Ų | 104.4 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | trans | -120.6 | 160.6 | 167.9 | -69.1 | -176.2 | 171.3 | 0 | 0 | 113 | R825 D861 | R825-E863 WeakPolarHBondContact CD-OE2 3.42Å; R825-E863 IonicContact CZ-OE1 3.6Å; R825-E863 VanDerWaalsContact CZ-OE1 3.3Å; R825-E863 IonicContact CZ-OE2 2.75Å; R825-E863 VanDerWaalsContact NE-CD 3.26Å; R825-E863 IonicContact NE-OE1 3.63Å; R825-E863 PolarHBondContact NE-OE1 3.45Å; R825-E863 IonicContact NE-OE2 3.09Å; R825-E863 PolarHBondContact NE-OE2 2.84Å; R825-E863 IonicContact NH2-OE1 2.74Å; R825-E863 PolarHBondContact NH2-OE1 2.93Å; R825-E863 IonicContact NH2-OE2 3.89Å; D861-E863 PolarHBondContact O-N 3.23Å | ||
| 864 | M | 30.5 | Very low | 39.6 | Very low | 131 Ų | 131 | 98.5 Ų | 98.5 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | trans | -82.2 | 143.4 | -174.5 | -71.6 | -160.1 | 69.3 | 0 | 0 | 112.1 | F866 | M864-F866 PolarHBondContact O-N 2.81Š| ||
| 865 | P | 29.5 | Very low | 41.7 | Very low | 68 Ų | 68 | 92.2 Ų | 92.2 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | trans | -76.1 | 124.4 | -177.2 | 31.4 | -35.4 | 0 | 0 | 0 | 111.9 | ||||
| 866 | F | 34.2 | Very low | 43.1 | Very low | 101 Ų | 101 | 90.3 Ų | 90.3 | 44% | 0.443 | 46% | 0.463 | S | S | . | . | trans | -95.9 | 92.7 | 168.6 | -88.1 | -91.4 | 0 | 0 | 0 | 109.6 | M864 D868 F878 | M864-F866 PolarHBondContact O-N 2.81Å; F866-D868 HydrophobicContact CB-CB 4.36Å; F866-D868 WeakPolarHBondContact CD1-OD2 3.11Å; F866-D868 PolarHBondContact O-N 2.84Å; F866-F878 AromaticContact CE1-CE1 3.81Å; F866-F878 HydrophobicContact CE1-CE1 3.81Å; F866-F878 AromaticContact CE1-CZ 3.78Å; F866-F878 HydrophobicContact CE1-CZ 3.78Å; F866-F878 HydrophobicContact CZ-CZ 4.27Å | ||
| 867 | N | 31.9 | Very low | 44.2 | Very low | 121 Ų | 121 | 91.6 Ų | 91.6 | 65% | 0.647 | 46% | 0.461 | S | S | * | . | trans | -74.1 | 67.3 | 175.9 | -77.5 | -3.7 | 0 | 0 | 0 | 110.9 | E909 | N867-E909 PolarHBondContact ND2-OE2 2.75Š| ||
| 868 | D | 40.9 | Very low | 44.8 | Very low | 34 Ų | 34 | 88.8 Ų | 88.8 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | trans | -136.6 | 22.3 | -157.8 | -105.9 | -27.2 | 0 | 0 | 0 | 114.4 | F866 K870 K871 | F866-D868 HydrophobicContact CB-CB 4.36Å; F866-D868 WeakPolarHBondContact CD1-OD2 3.11Å; F866-D868 PolarHBondContact O-N 2.84Å; D868-K870 PolarHBondContact O-N 3.36Å; D868-K871 HydrophobicContact CB-CD 3.98Å; D868-K871 PolarHBondContact O-N 3.2Å; D868-K871 VanDerWaalsContact O-N 3.16Å; D868-K871 WeakPolarHBondContact OD1-CE 3.35Å; D868-K871 IonicContact OD1-NZ 3.54Å; D868-K871 PolarHBondContact OD1-NZ 3.03Å; D868-K871 WeakPolarHBondContact OD2-CE 3.46Å; D868-K871 IonicContact OD2-NZ 2.75Å; D868-K871 PolarHBondContact OD2-NZ 3.42Å | ||
| 869 | I | 40.4 | Very low | 45.6 | Very low | 148 Ų | 148 | 88.6 Ų | 88.6 | 76% | 0.759 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 47.5 | -171.4 | -39.4 | 179.8 | 0 | 0 | 0 | 112.9 | ||
| 870 | K | 46.7 | Very low | 47 | Very low | 165 Ų | 165 | 93.3 Ų | 93.3 | 72% | 0.717 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.7 | -0.3 | 165.5 | -90.7 | -172 | 176.2 | 177 | 0 | 112.9 | D868 | D868-K870 PolarHBondContact O-N 3.36Š|
| 871 | K | 56.6 | Low | 49.1 | Very low | 51 Ų | 51 | 91 Ų | 91 | 22% | 0.222 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -90.8 | 157.1 | -175 | -70 | -179.6 | 174.4 | 176.4 | 0 | 112.9 | Y833 D868 P873 E877 | Y833-K871 WeakPolarHBondContact CD2-O 3.47Å; D868-K871 HydrophobicContact CB-CD 3.98Å; D868-K871 PolarHBondContact O-N 3.2Å; D868-K871 VanDerWaalsContact O-N 3.16Å; D868-K871 WeakPolarHBondContact OD1-CE 3.35Å; D868-K871 IonicContact OD1-NZ 3.54Å; D868-K871 PolarHBondContact OD1-NZ 3.03Å; D868-K871 WeakPolarHBondContact OD2-CE 3.46Å; D868-K871 IonicContact OD2-NZ 2.75Å; D868-K871 PolarHBondContact OD2-NZ 3.42Å; K871-P873 WeakPolarHBondContact O-CD 3.04Å; K871-E877 VanDerWaalsContact CD-O 3.25Å; K871-E877 WeakPolarHBondContact CD-O 3.46Å; K871-E877 WeakPolarHBondContact CE-O 3.49Å; K871-E877 PolarHBondContact NZ-O 3.29Å |
| 872 | D | 71.6 | Confident | 51.1 | Low | 30 Ų | 30 | 88.9 Ų | 88.9 | 16% | 0.16 | 43% | 0.427 | C | S | . | . | trans | -81.4 | 109.2 | 169.5 | -169.6 | -22 | 0 | 0 | 0 | 110.2 | K725 F874 R875 | K725-D872 WeakPolarHBondContact CD-OD2 3.15Å; K725-D872 WeakPolarHBondContact CE-OD2 3.43Å; K725-D872 IonicContact NZ-OD1 3.59Å; K725-D872 PolarHBondContact NZ-OD1 2.78Å; K725-D872 IonicContact NZ-OD2 2.83Å; K725-D872 PolarHBondContact NZ-OD2 3.17Å; D872-F874 PolarHBondContact O-N 3.15Å; D872-F874 WeakPolarHBondContact OD1-CB 3.38Å; D872-F874 WeakPolarHBondContact OD1-CD2 2.97Å; D872-F874 PolarHBondContact OD1-N 2.68Å; D872-F874 VanDerWaalsContact OD1-N 3.11Å; D872-R875 HydrophobicContact CB-CB 4.26Å; D872-R875 PolarHBondContact O-N 2.83Å; D872-R875 IonicContact OD2-NE 3.57Å | ||
| 873 | P | 78.6 | Confident | 53.6 | Low | 14 Ų | 14 | 85.1 Ų | 85.1 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.6 | -176.1 | 31.1 | -37.6 | 0 | 0 | 0 | 113.1 | A829 M830 Y833 K871 R875 | A829-P873 HydrophobicContact CB-CB 3.81Å; A829-P873 WeakPolarHBondContact O-CG 3.43Å; M830-P873 HydrophobicContact CB-CG 4.38Å; M830-P873 HydrophobicContact CG-CB 4Å; M830-P873 HydrophobicContact CG-CG 3.91Å; Y833-P873 HydrophobicContact CD2-CG 4.15Å; Y833-P873 HydrophobicContact CG-CG 3.96Å; K871-P873 WeakPolarHBondContact O-CD 3.04Å; P873-R875 PolarHBondContact O-N 2.84Å |
| 874 | F | 83.4 | Confident | 56.1 | Low | 5 Ų | 5 | 80 Ų | 80 | 2% | 0.022 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.5 | 173.5 | -58.1 | -97.7 | 0 | 0 | 0 | 112.1 | L719 L723 K725 V727 F729 M830 D872 | L719-F874 HydrophobicContact CB-CE1 4.33Å; L719-F874 HydrophobicContact CB-CZ 3.95Å; L723-F874 HydrophobicContact CD1-CE2 3.68Å; L723-F874 HydrophobicContact CD1-CZ 3.8Å; K725-F874 HydrophobicContact CB-CB 4.43Å; K725-F874 HydrophobicContact CB-CD1 4.2Å; K725-F874 HydrophobicContact CB-CD2 4.24Å; K725-F874 HydrophobicContact CB-CG 4.03Å; K725-F874 HydrophobicContact CD-CD2 3.93Å; K725-F874 HydrophobicContact CD-CE2 4.45Å; K725-F874 HydrophobicContact CD-CG 4.38Å; K725-F874 HydrophobicContact CG-CD1 4.41Å; K725-F874 HydrophobicContact CG-CD2 3.64Å; K725-F874 HydrophobicContact CG-CE2 3.85Å; K725-F874 HydrophobicContact CG-CG 3.96Å; K725-F874 HydrophobicContact CG-CZ 4.33Å; V727-F874 HydrophobicContact CB-CB 4.46Å; V727-F874 HydrophobicContact CB-CD1 4.47Å; V727-F874 HydrophobicContact CG2-CB 4.05Å; F729-F874 HydrophobicContact CE2-CD1 4.06Å; F729-F874 HydrophobicContact CE2-CE1 4.3Å; F729-F874 AromaticContact CZ-CD1 3.9Å; F729-F874 HydrophobicContact CZ-CD1 3.9Å; F729-F874 HydrophobicContact CZ-CE1 4.46Å; M830-F874 HydrophobicContact CB-CE1 4.34Å; M830-F874 HydrophobicContact CB-CE2 4.1Å; M830-F874 HydrophobicContact CB-CZ 3.79Å; M830-F874 HydrophobicContact CE-CD1 4.2Å; M830-F874 HydrophobicContact CG-CD1 4.19Å; M830-F874 HydrophobicContact CG-CD2 4.16Å; M830-F874 HydrophobicContact CG-CE1 3.83Å; M830-F874 HydrophobicContact CG-CE2 3.81Å; M830-F874 HydrophobicContact CG-CG 4.33Å; M830-F874 HydrophobicContact CG-CZ 3.63Å; M830-F874 HydrophobicContact SD-CD1 3.92Å; M830-F874 HydrophobicContact SD-CE1 3.64Å; M830-F874 HydrophobicContact SD-CZ 4.06Å; D872-F874 PolarHBondContact O-N 3.15Å; D872-F874 WeakPolarHBondContact OD1-CB 3.38Å; D872-F874 WeakPolarHBondContact OD1-CD2 2.97Å; D872-F874 PolarHBondContact OD1-N 2.68Å; D872-F874 VanDerWaalsContact OD1-N 3.11Å |
| 875 | R | 74.4 | Confident | 58.7 | Low | 62 Ų | 62 | 73.8 Ų | 73.8 | 23% | 0.234 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -126.1 | 178.6 | -176.3 | -62.6 | -178.3 | -179.5 | -83.9 | -17.8 | 111.1 | K725 D809 R826 D872 P873 | K725-R875 PolarHBondContact O-NH2 2.85Å; D809-R875 VanDerWaalsContact CG-NH1 3.28Å; D809-R875 VanDerWaalsContact CG-NH2 3.31Å; D809-R875 IonicContact OD1-CZ 3.87Å; D809-R875 IonicContact OD1-NH1 2.66Å; D809-R875 IonicContact OD1-NH2 3.1Å; D809-R875 PolarHBondContact OD1-NH2 2.74Å; D809-R875 IonicContact OD2-CZ 3.3Å; D809-R875 IonicContact OD2-NH1 2.73Å; D809-R875 PolarHBondContact OD2-NH1 3.15Å; D809-R875 IonicContact OD2-NH2 2.81Å; R826-R875 PolarHBondContact NH1-O 3.49Å; D872-R875 HydrophobicContact CB-CB 4.26Å; D872-R875 PolarHBondContact O-N 2.83Å; D872-R875 IonicContact OD2-NE 3.57Å; P873-R875 PolarHBondContact O-N 2.84Å |
| 876 | N | 57.5 | Low | 61.5 | Low | 77 Ų | 77 | 74 Ų | 74 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | trans | -130.2 | 78.9 | -171.9 | -147.3 | 0.6 | 0 | 0 | 0 | 110.4 | R826 | R826-N876 PolarHBondContact NH2-OD1 3.42Š| ||
| 877 | E | 53 | Low | 64.1 | Low | 120 Ų | 120 | 69.1 Ų | 69.1 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | trans | -118.3 | 123.6 | -174.3 | -64.1 | -179.3 | -169.8 | 0 | 0 | 109.8 | K871 | K871-E877 VanDerWaalsContact CD-O 3.25Å; K871-E877 WeakPolarHBondContact CD-O 3.46Å; K871-E877 WeakPolarHBondContact CE-O 3.49Å; K871-E877 PolarHBondContact NZ-O 3.29Å | ||
| 878 | F | 39.6 | Very low | 66.9 | Low | 76 Ų | 76 | 64.6 Ų | 64.6 | 33% | 0.333 | 30% | 0.296 | S | S | . | . | trans | -123.8 | 124.2 | -176.4 | -92.9 | -97.1 | 0 | 0 | 0 | 111.5 | F866 | F866-F878 AromaticContact CE1-CE1 3.81Å; F866-F878 HydrophobicContact CE1-CE1 3.81Å; F866-F878 AromaticContact CE1-CZ 3.78Å; F866-F878 HydrophobicContact CE1-CZ 3.78Å; F866-F878 HydrophobicContact CZ-CZ 4.27Å | ||
| 879 | P | 46.5 | Very low | 69.3 | Low | 73 Ų | 73 | 63 Ų | 63 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | trans | -75.9 | 138.7 | 159.5 | 34 | -31.1 | 0 | 0 | 0 | 108.8 | ||||
| 880 | W | 56.8 | Low | 71.7 | Confident | 193 Ų | 193 | 56.9 Ų | 56.9 | 73% | 0.731 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -78.4 | -28.7 | -157.8 | -65.9 | -49.9 | 0 | 0 | 0 | 115.2 | H1142 F1143 | W880-H1142 AromaticContact CD1-NE2 3.93Å; W880-H1142 WeakPolarHBondContact O-CA 3.4Å; W880-H1142 PolarHBondContact O-CD2 3.11Å; W880-F1143 PolarHBondContact O-N 3.47Å |
| 881 | Y | 71.6 | Confident | 73.8 | Confident | 86 Ų | 86 | 49 Ų | 49 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.2 | -173.8 | -73 | -98.3 | 0 | 0 | 0 | 113.4 | D1081 F1083 T1100 H1142 | Y881-D1081 HydrophobicContact CE1-CB 4.18Å; Y881-F1083 AromaticContact CD1-CD1 3.85Å; Y881-F1083 HydrophobicContact CD1-CD1 3.85Å; Y881-F1083 AromaticContact CD1-CE1 3.58Å; Y881-F1083 HydrophobicContact CD1-CE1 3.58Å; Y881-F1083 AromaticContact CE1-CD1 3.99Å; Y881-F1083 HydrophobicContact CE1-CD1 3.99Å; Y881-F1083 HydrophobicContact CE1-CE1 4.12Å; Y881-F1083 AromaticContact CG-CE1 3.94Å; Y881-F1083 HydrophobicContact CG-CE1 3.94Å; Y881-T1100 HydrophobicContact CE1-CG2 4.1Å; Y881-H1142 HydrophobicContact CD1-CB 4.1Å; Y881-H1142 HydrophobicContact CE1-CB 3.82Å |
| 882 | H | 71.3 | Confident | 75.4 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 156.6 | 178.7 | -66.4 | 65.1 | 0 | 0 | 0 | 110.9 | I884 F1079 Y1140 G1141 F1143 | H882-I884 PolarHBondContact O-N 2.98Å; H882-F1079 HydrophobicContact CB-CE1 4.38Å; H882-Y1140 CarbonylContact O-C 3.45Å; H882-Y1140 VanDerWaalsContact O-CA 3.22Å; H882-Y1140 WeakPolarHBondContact O-CA 3.42Å; H882-G1141 PolarHBondContact N-O 3.23Å; H882-G1141 PolarHBondContact O-N 3.39Å; H882-F1143 HydrophobicContact CB-CB 4.49Å |
| 883 | K | 80.2 | Confident | 76.2 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 27% | 0.274 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 121.1 | 177.1 | -173.3 | 172.7 | 178.4 | 166.8 | 0 | 111.4 | D1138 Y1140 | K883-D1138 VanDerWaalsContact CE-CG 3.44Å; K883-D1138 WeakPolarHBondContact CE-OD1 3.28Å; K883-D1138 IonicContact NZ-OD1 3.82Å; K883-D1138 PolarHBondContact NZ-OD1 2.85Å; K883-D1138 IonicContact NZ-OD2 3.28Å; K883-D1138 PolarHBondContact NZ-OD2 3.47Å; K883-Y1140 HydrophobicContact CB-CD1 3.95Å; K883-Y1140 HydrophobicContact CB-CE1 3.86Å; K883-Y1140 HydrophobicContact CD-CE1 4.44Å; K883-Y1140 HydrophobicContact CG-CD1 4.41Å; K883-Y1140 HydrophobicContact CG-CE1 4.18Å |
| 884 | I | 83.3 | Confident | 76.8 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -44 | 174.7 | -61.1 | 172.8 | 0 | 0 | 0 | 110.6 | H882 T914 F1075 F1079 V1082 V1139 | H882-I884 PolarHBondContact O-N 2.98Å; I884-T914 VanDerWaalsContact O-CB 3.26Å; I884-T914 WeakPolarHBondContact O-CB 3.26Å; I884-T914 WeakPolarHBondContact O-CG2 3.31Å; I884-T914 PolarHBondContact O-OG1 3.43Å; I884-F1075 HydrophobicContact CD1-CD1 4.28Å; I884-F1075 HydrophobicContact CD1-CD2 4.46Å; I884-F1075 HydrophobicContact CD1-CE1 4.48Å; I884-F1075 HydrophobicContact CD1-CG 4.26Å; I884-F1075 HydrophobicContact CG2-CD1 3.61Å; I884-F1075 HydrophobicContact CG2-CE1 3.86Å; I884-F1075 HydrophobicContact CG2-CG 4.46Å; I884-F1079 HydrophobicContact CD1-CD1 4.3Å; I884-F1079 HydrophobicContact CD1-CD2 4.02Å; I884-F1079 HydrophobicContact CD1-CE2 4.32Å; I884-F1079 HydrophobicContact CD1-CG 4.02Å; I884-F1079 HydrophobicContact CG1-CD1 4.2Å; I884-F1079 HydrophobicContact CG1-CD2 4.02Å; I884-F1079 HydrophobicContact CG1-CE1 3.97Å; I884-F1079 HydrophobicContact CG1-CE2 3.79Å; I884-F1079 HydrophobicContact CG1-CG 4.23Å; I884-F1079 HydrophobicContact CG1-CZ 3.76Å; I884-V1082 HydrophobicContact CD1-CG1 4.15Å; I884-V1082 HydrophobicContact CD1-CG2 3.85Å; I884-V1139 HydrophobicContact CB-CB 4.49Å; I884-V1139 HydrophobicContact CB-CG1 4.25Å; I884-V1139 HydrophobicContact CD1-CG1 4.08Å; I884-V1139 PolarHBondContact N-O 3.18Å |
| 885 | G | 85.2 | Confident | 77 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171 | 170.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | L907 V1139 | G885-L907 CarbonylContact C-O 3.55Å; G885-L907 WeakPolarHBondContact CA-O 3.32Å; G885-V1139 PolarHBondContact N-O 3.45Å; G885-V1139 PolarHBondContact O-N 2.94Å |
| 886 | R | 88.1 | Confident | 77.4 | Confident | 72 Ų | 72 | 46.7 Ų | 46.7 | 27% | 0.272 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 142.5 | 176.8 | -177.5 | 166.4 | -74.4 | 165.5 | -0.3 | 111.5 | L906 L907 F1137 D1138 | R886-L906 WeakPolarHBondContact O-CA 2.86Å; R886-L907 PolarHBondContact N-O 3.1Å; R886-L907 PolarHBondContact O-N 3.3Å; R886-F1137 CarbonylContact C-O 3.52Å; R886-F1137 VanDerWaalsContact CA-O 3.26Å; R886-F1137 WeakPolarHBondContact CA-O 3.49Å; R886-D1138 WeakPolarHBondContact CB-OD1 3.03Å; R886-D1138 VanDerWaalsContact CG-OD1 3.24Å; R886-D1138 WeakPolarHBondContact CG-OD1 3.02Å; R886-D1138 IonicContact CZ-OD1 3.73Å; R886-D1138 IonicContact CZ-OD2 2.69Å; R886-D1138 IonicContact NE-OD1 2.81Å; R886-D1138 PolarHBondContact NE-OD1 3.08Å; R886-D1138 IonicContact NE-OD2 3.71Å; R886-D1138 PolarHBondContact NE-OD2 3.14Å; R886-D1138 IonicContact NH2-OD1 3.88Å; R886-D1138 PolarHBondContact NH2-OD1 2.64Å; R886-D1138 IonicContact NH2-OD2 3.31Å; R886-D1138 PolarHBondContact NH2-OD2 3.42Å |
| 887 | G | 88.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 159.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T905 F1137 | G887-T905 WeakPolarHBondContact CA-O 3.38Å; G887-F1137 PolarHBondContact N-O 3.36Å; G887-F1137 PolarHBondContact O-N 2.92Å |
| 888 | L | 90.1 | Very high | 80.1 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.7 | -177 | -60.1 | 176.8 | 0 | 0 | 0 | 111.1 | V904 P1134 E1136 Q1481 | L888-V904 VanDerWaalsContact N-CG1 3.33Å; L888-P1134 HydrophobicContact CB-CB 4.03Å; L888-P1134 HydrophobicContact CD2-CB 4.2Å; L888-P1134 HydrophobicContact CD2-CG 4.03Å; L888-E1136 HydrophobicContact CD2-CG 4.05Å; L888-Q1481 PolarHBondContact O-NE2 2.84Å |
| 889 | L | 91.6 | Very high | 82.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 118 | -178.5 | -177.3 | 69.7 | 0 | 0 | 0 | 111.5 | L891 S902 V904 I919 V921 P1134 L1135 F1137 | L889-L891 HydrophobicContact CD2-CD2 4.11Å; L889-L891 HydrophobicContact CG-CD2 4.29Å; L889-S902 VanDerWaalsContact CD1-CB 3.47Å; L889-V904 HydrophobicContact CB-CG2 4.22Å; L889-V904 HydrophobicContact CD1-CG2 3.81Å; L889-I919 HydrophobicContact CD2-CB 4.4Å; L889-I919 HydrophobicContact CD2-CD1 4.15Å; L889-I919 HydrophobicContact CD2-CG2 3.97Å; L889-V921 HydrophobicContact CD2-CG2 3.7Å; L889-P1134 CarbonylContact O-C 3.5Å; L889-P1134 WeakPolarHBondContact O-CA 3.46Å; L889-L1135 HydrophobicContact CB-CB 4.46Å; L889-L1135 PolarHBondContact N-O 3.01Å; L889-L1135 PolarHBondContact O-N 2.77Å; L889-F1137 HydrophobicContact CB-CD2 4.17Å; L889-F1137 HydrophobicContact CB-CE2 3.71Å; L889-F1137 HydrophobicContact CD2-CE2 3.64Å; L889-F1137 HydrophobicContact CD2-CZ 3.93Å; L889-F1137 HydrophobicContact CG-CE2 4.35Å |
| 890 | Y | 90.7 | Very high | 84.3 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 7% | 0.071 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.2 | 178.9 | -69.4 | -84.7 | 0 | 0 | 0 | 111.4 | K892 P1134 S1474 K1478 | Y890-K892 PolarHBondContact O-N 2.85Å; Y890-P1134 HydrophobicContact CD1-CB 4.11Å; Y890-P1134 HydrophobicContact CD2-CB 4.46Å; Y890-P1134 HydrophobicContact CE1-CB 3.76Å; Y890-P1134 HydrophobicContact CE1-CG 4.09Å; Y890-P1134 HydrophobicContact CE2-CB 4.13Å; Y890-P1134 HydrophobicContact CG-CB 4.45Å; Y890-S1474 PolarHBondContact OH-OG 2.78Å; Y890-K1478 HydrophobicContact CD1-CD 4.24Å; Y890-K1478 HydrophobicContact CD1-CG 4.14Å; Y890-K1478 HydrophobicContact CD2-CB 3.97Å; Y890-K1478 HydrophobicContact CD2-CG 4.16Å; Y890-K1478 HydrophobicContact CE1-CB 4.29Å; Y890-K1478 HydrophobicContact CE1-CD 3.7Å; Y890-K1478 HydrophobicContact CE1-CG 3.93Å; Y890-K1478 VanDerWaalsContact CE2-CA 3.49Å; Y890-K1478 HydrophobicContact CE2-CB 3.49Å; Y890-K1478 VanDerWaalsContact CE2-CB 3.49Å; Y890-K1478 HydrophobicContact CE2-CD 4.45Å; Y890-K1478 HydrophobicContact CE2-CG 3.96Å; Y890-K1478 HydrophobicContact CG-CG 4.24Å |
| 891 | L | 91.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -78 | 16.8 | -173.6 | -56.6 | -180 | 0 | 0 | 0 | 114.3 | L889 N893 L894 V921 F1088 I1130 L1135 | L889-L891 HydrophobicContact CD2-CD2 4.11Å; L889-L891 HydrophobicContact CG-CD2 4.29Å; L891-N893 PolarHBondContact O-N 3.39Å; L891-N893 VanDerWaalsContact O-N 3.07Å; L891-L894 HydrophobicContact CB-CD1 4.01Å; L891-L894 HydrophobicContact CB-CG 4.48Å; L891-L894 HydrophobicContact CD1-CD1 4.5Å; L891-L894 VanDerWaalsContact O-CB 3.3Å; L891-L894 WeakPolarHBondContact O-CB 3.28Å; L891-L894 WeakPolarHBondContact O-CG 3.48Å; L891-L894 PolarHBondContact O-N 3.41Å; L891-V921 HydrophobicContact CD2-CG1 4.31Å; L891-V921 HydrophobicContact CD2-CG2 4.02Å; L891-F1088 HydrophobicContact CD1-CE1 3.88Å; L891-F1088 HydrophobicContact CD1-CZ 4.43Å; L891-I1130 HydrophobicContact CB-CB 4.29Å; L891-I1130 HydrophobicContact CB-CG2 4.1Å; L891-L1135 HydrophobicContact CD1-CB 4.37Å; L891-L1135 HydrophobicContact CD2-CB 4.47Å; L891-L1135 HydrophobicContact CD2-CD2 4.41Å; L891-L1135 HydrophobicContact CG-CB 4.39Å |
| 892 | K | 89.7 | Confident | 86.6 | Confident | 54 Ų | 54 | 25.2 Ų | 25.2 | 24% | 0.235 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -66.8 | -13.1 | -171.9 | -164.6 | 165.6 | 178.9 | -171.4 | 0 | 113.8 | Y890 L894 Y895 Y896 I1130 L1131 W1482 L1485 | Y890-K892 PolarHBondContact O-N 2.85Å; K892-L894 VanDerWaalsContact C-N 3.26Å; K892-L894 PolarHBondContact O-N 2.77Å; K892-Y895 WeakPolarHBondContact O-CB 3.38Å; K892-Y895 PolarHBondContact O-N 3.09Å; K892-Y896 HydrophobicContact CG-CE2 4.4Å; K892-Y896 WeakPolarHBondContact O-CD2 3.36Å; K892-I1130 WeakPolarHBondContact CA-O 3.35Å; K892-I1130 WeakPolarHBondContact CB-O 3.48Å; K892-I1130 PolarHBondContact N-O 3.19Å; K892-L1131 HydrophobicContact CD-CD2 4.29Å; K892-L1131 HydrophobicContact CG-CD2 4.24Å; K892-W1482 HydrophobicContact CD-CE3 3.81Å; K892-W1482 HydrophobicContact CD-CH2 4.34Å; K892-W1482 HydrophobicContact CD-CZ3 3.43Å; K892-W1482 VanDerWaalsContact CD-CZ3 3.43Å; K892-W1482 HydrophobicContact CG-CE3 4.47Å; K892-W1482 HydrophobicContact CG-CZ3 3.98Å; K892-L1485 HydrophobicContact CB-CD2 4.18Å; K892-L1485 HydrophobicContact CG-CD2 4.28Å |
| 893 | N | 89.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -65.7 | -28.5 | 169.7 | 69.1 | -68.3 | 0 | 0 | 0 | 112.8 | L891 Y895 Y896 G897 V898 M900 V921 L1485 | L891-N893 PolarHBondContact O-N 3.39Å; L891-N893 VanDerWaalsContact O-N 3.07Å; N893-Y895 VanDerWaalsContact C-N 3.28Å; N893-Y895 PolarHBondContact O-N 3.06Å; N893-Y896 PolarHBondContact O-N 2.75Å; N893-Y896 VanDerWaalsContact O-N 3.16Å; N893-G897 PolarHBondContact O-N 2.79Å; N893-V898 PolarHBondContact ND2-O 3.49Å; N893-V898 PolarHBondContact O-N 3.26Å; N893-M900 HydrophobicContact CB-CB 3.72Å; N893-M900 HydrophobicContact CB-CE 3.95Å; N893-M900 HydrophobicContact CB-SD 4.11Å; N893-V921 PolarHBondContact ND2-O 3.03Å; N893-L1485 HydrophobicContact CB-CD1 3.88Å; N893-L1485 HydrophobicContact CB-CD2 4.47Å |
| 894 | L | 90.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -62.3 | -36 | 175.1 | -62.8 | 178.6 | 0 | 0 | 0 | 111.5 | L891 K892 Y896 G897 V921 P923 F1063 F1065 I1130 | L891-L894 HydrophobicContact CB-CD1 4.01Å; L891-L894 HydrophobicContact CB-CG 4.48Å; L891-L894 HydrophobicContact CD1-CD1 4.5Å; L891-L894 VanDerWaalsContact O-CB 3.3Å; L891-L894 WeakPolarHBondContact O-CB 3.28Å; L891-L894 WeakPolarHBondContact O-CG 3.48Å; L891-L894 PolarHBondContact O-N 3.41Å; K892-L894 VanDerWaalsContact C-N 3.26Å; K892-L894 PolarHBondContact O-N 2.77Å; L894-Y896 PolarHBondContact O-N 3.26Å; L894-G897 PolarHBondContact O-N 2.89Å; L894-V921 HydrophobicContact CD1-CG1 4.29Å; L894-V921 HydrophobicContact CD2-CG1 3.67Å; L894-V921 HydrophobicContact CG-CG1 3.99Å; L894-P923 HydrophobicContact CD2-CB 4.19Å; L894-F1063 HydrophobicContact CB-CE1 4.13Å; L894-F1063 HydrophobicContact CB-CZ 4.21Å; L894-F1063 HydrophobicContact CD1-CE1 4.23Å; L894-F1063 HydrophobicContact CD2-CE1 4.08Å; L894-F1063 HydrophobicContact CD2-CZ 4.09Å; L894-F1063 HydrophobicContact CG-CE1 4.38Å; L894-F1065 HydrophobicContact CD1-CB 4.3Å; L894-F1065 HydrophobicContact CD1-CD1 4.23Å; L894-F1065 HydrophobicContact CD1-CD2 4Å; L894-F1065 HydrophobicContact CD1-CE2 4.38Å; L894-F1065 HydrophobicContact CD1-CG 3.92Å; L894-F1065 HydrophobicContact CD2-CB 3.75Å; L894-F1065 HydrophobicContact CD2-CG 4.28Å; L894-I1130 HydrophobicContact CB-CD1 4.34Å; L894-I1130 HydrophobicContact CD1-CG2 4.41Å |
| 895 | Y | 87.5 | Confident | 87.9 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -57 | -33.9 | 175.6 | -172.2 | -90.8 | 0 | 0 | 0 | 112.7 | K892 N893 L1048 L1053 P1054 L1057 L1131 | K892-Y895 WeakPolarHBondContact O-CB 3.38Å; K892-Y895 PolarHBondContact O-N 3.09Å; N893-Y895 VanDerWaalsContact C-N 3.28Å; N893-Y895 PolarHBondContact O-N 3.06Å; Y895-L1048 HydrophobicContact CE2-CD1 4.21Å; Y895-L1053 HydrophobicContact CE2-CD2 4.36Å; Y895-P1054 WeakPolarHBondContact O-CG 2.92Å; Y895-L1057 HydrophobicContact CD2-CD1 4.27Å; Y895-L1131 HydrophobicContact CD1-CD2 4.43Å; Y895-L1131 HydrophobicContact CD2-CD1 4.29Å; Y895-L1131 HydrophobicContact CD2-CD2 3.7Å; Y895-L1131 HydrophobicContact CD2-CG 4.13Å; Y895-L1131 HydrophobicContact CE2-CD1 4.27Å; Y895-L1131 HydrophobicContact CE2-CD2 4.19Å; Y895-L1131 HydrophobicContact CG-CD2 3.84Å |
| 896 | Y | 84.4 | Confident | 88 | Confident | 48 Ų | 48 | 24.8 Ų | 24.8 | 19% | 0.188 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -97.2 | 0.9 | -179.7 | -59.6 | -82.6 | 0 | 0 | 0 | 113.5 | K892 N893 L894 V898 W1482 L1485 L1489 | K892-Y896 HydrophobicContact CG-CE2 4.4Å; K892-Y896 WeakPolarHBondContact O-CD2 3.36Å; N893-Y896 PolarHBondContact O-N 2.75Å; N893-Y896 VanDerWaalsContact O-N 3.16Å; L894-Y896 PolarHBondContact O-N 3.26Å; Y896-V898 VanDerWaalsContact C-N 3.29Å; Y896-V898 WeakPolarHBondContact O-CG2 3.45Å; Y896-V898 PolarHBondContact O-N 2.74Å; Y896-W1482 HydrophobicContact CE2-CH2 4.35Å; Y896-W1482 HydrophobicContact CE2-CZ3 4.13Å; Y896-L1485 HydrophobicContact CD2-CD1 4.41Å; Y896-L1485 HydrophobicContact CD2-CD2 3.98Å; Y896-L1485 HydrophobicContact CD2-CG 4.48Å; Y896-L1485 HydrophobicContact CE2-CD2 4.05Å; Y896-L1489 HydrophobicContact CD1-CD1 4.01Å; Y896-L1489 HydrophobicContact CD1-CD2 4.11Å; Y896-L1489 HydrophobicContact CD2-CD1 3.97Å; Y896-L1489 HydrophobicContact CE1-CD1 4.11Å; Y896-L1489 HydrophobicContact CE2-CD1 4.07Å; Y896-L1489 HydrophobicContact CG-CD1 3.94Å; Y896-L1489 HydrophobicContact CG-CD2 3.99Å |
| 897 | G | 82.4 | Confident | 87.7 | Confident | 15 Ų | 15 | 22.1 Ų | 22.1 | 16% | 0.155 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 24.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N893 L894 P923 | N893-G897 PolarHBondContact O-N 2.79Å; L894-G897 PolarHBondContact O-N 2.89Å; G897-P923 WeakPolarHBondContact O-CG 3.14Å |
| 898 | V | 83.8 | Confident | 87.1 | Confident | 27 Ų | 27 | 24 Ų | 24 | 16% | 0.164 | 13% | 0.129 | C | C | . | . | trans | -111.5 | 133.8 | -175.7 | -159.5 | 0 | 0 | 0 | 0 | 111.5 | N893 Y896 I1488 L1489 | N893-V898 PolarHBondContact ND2-O 3.49Å; N893-V898 PolarHBondContact O-N 3.26Å; Y896-V898 VanDerWaalsContact C-N 3.29Å; Y896-V898 WeakPolarHBondContact O-CG2 3.45Å; Y896-V898 PolarHBondContact O-N 2.74Å; V898-I1488 HydrophobicContact CB-CG2 4.36Å; V898-I1488 HydrophobicContact CG1-CG2 3.5Å; V898-L1489 HydrophobicContact CG2-CD2 4.17Å | ||
| 899 | P | 86.9 | Confident | 85.9 | Confident | 68 Ų | 68 | 27.2 Ų | 27.2 | 44% | 0.442 | 14% | 0.143 | S | C | . | . | trans | -65.6 | 142.1 | 170.9 | 28.3 | -35.3 | 0 | 0 | 0 | 111.4 | V921 Q922 | P899-V921 CarbonylContact C-O 3.5Å; P899-V921 VanDerWaalsContact CA-O 3.28Å; P899-V921 WeakPolarHBondContact CA-O 3.39Å; P899-Q922 HydrophobicContact CB-CB 4.46Å; P899-Q922 HydrophobicContact CB-CG 4.17Å | ||
| 900 | M | 87.6 | Confident | 84.4 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 121.2 | 180 | -175.5 | 169.4 | 73.4 | 0 | 0 | 111.8 | N893 E920 V921 L1485 I1488 | N893-M900 HydrophobicContact CB-CB 3.72Å; N893-M900 HydrophobicContact CB-CE 3.95Å; N893-M900 HydrophobicContact CB-SD 4.11Å; M900-E920 WeakPolarHBondContact O-CA 3.41Å; M900-V921 PolarHBondContact N-O 3.35Å; M900-V921 PolarHBondContact O-N 3.07Å; M900-L1485 HydrophobicContact SD-CB 4.04Å; M900-I1488 HydrophobicContact CB-CD1 4.24Å; M900-I1488 HydrophobicContact CG-CD1 3.81Å; M900-I1488 HydrophobicContact SD-CD1 4.34Å |
| 901 | T | 90.1 | Very high | 83.1 | Confident | 57 Ų | 57 | 29.3 Ų | 29.3 | 35% | 0.35 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116.9 | 167.3 | -38 | 0 | 0 | 0 | 0 | 110.2 | I919 E920 L1070 K1484 | T901-I919 CarbonylContact C-O 3.42Å; T901-I919 WeakPolarHBondContact CA-O 3.36Å; T901-E920 HydrophobicContact CG2-CB 4.22Å; T901-L1070 HydrophobicContact CG2-CD1 3.92Å; T901-K1484 WeakPolarHBondContact O-CE 3.18Å; T901-K1484 PolarHBondContact O-NZ 3.3Å |
| 902 | S | 86.4 | Confident | 82 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.3 | 175.9 | -72.5 | 0 | 0 | 0 | 0 | 110.9 | L889 I919 | L889-S902 VanDerWaalsContact CD1-CB 3.47Å; S902-I919 PolarHBondContact N-O 3.47Å; S902-I919 PolarHBondContact O-N 2.7Å |
| 903 | Q | 88.3 | Confident | 81.4 | Confident | 98 Ų | 98 | 33.8 Ų | 33.8 | 46% | 0.458 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 106.1 | 163.5 | -42.5 | -161.7 | -74.9 | 0 | 0 | 106.7 | I916 L917 N918 R1480 | Q903-I916 HydrophobicContact CB-CG2 3.99Å; Q903-L917 CarbonylContact C-O 3.56Å; Q903-N918 VanDerWaalsContact CG-OD1 3.23Å; Q903-N918 WeakPolarHBondContact CG-OD1 3.41Å; Q903-N918 PolarHBondContact NE2-OD1 2.77Å; Q903-R1480 PolarHBondContact O-NH1 2.87Å; Q903-R1480 PolarHBondContact O-NH2 3.26Å; Q903-R1480 VanDerWaalsContact O-NH2 3.09Å |
| 904 | V | 86.7 | Confident | 81 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.7 | -179.7 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | L888 L889 I916 L917 I919 | L888-V904 VanDerWaalsContact N-CG1 3.33Å; L889-V904 HydrophobicContact CB-CG2 4.22Å; L889-V904 HydrophobicContact CD1-CG2 3.81Å; V904-I916 WeakPolarHBondContact O-CA 3.44Å; V904-L917 PolarHBondContact N-O 3.27Å; V904-L917 PolarHBondContact O-N 3.02Å; V904-I919 HydrophobicContact CB-CD1 4.12Å; V904-I919 HydrophobicContact CG2-CD1 3.61Å; V904-I919 HydrophobicContact CG2-CG1 4.21Å |
| 905 | T | 87 | Confident | 80.7 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 132.8 | 176 | -42.5 | 0 | 0 | 0 | 0 | 109.5 | G887 L907 I913 E1477 R1480 | G887-T905 WeakPolarHBondContact CA-O 3.38Å; T905-L907 HydrophobicContact CG2-CD2 4.33Å; T905-I913 HydrophobicContact CG2-CB 4.23Å; T905-I913 HydrophobicContact CG2-CD1 3.9Å; T905-I913 HydrophobicContact CG2-CG1 3.71Å; T905-I913 HydrophobicContact CG2-CG2 3.66Å; T905-E1477 VanDerWaalsContact CB-OE1 3.23Å; T905-E1477 WeakPolarHBondContact CB-OE1 3.04Å; T905-E1477 PolarHBondContact OG1-OE1 2.9Å; T905-R1480 PolarHBondContact OG1-NH1 2.97Å |
| 906 | L | 86.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 133.1 | 175.4 | -62.3 | 167.5 | 0 | 0 | 0 | 109.7 | R886 I913 T914 G915 L917 F1075 V1139 | R886-L906 WeakPolarHBondContact O-CA 2.86Å; L906-I913 WeakPolarHBondContact O-CA 3.32Å; L906-T914 PolarHBondContact O-N 2.77Å; L906-T914 PolarHBondContact O-OG1 2.81Å; L906-G915 PolarHBondContact N-O 3.25Å; L906-L917 HydrophobicContact CD1-CB 4.23Å; L906-L917 HydrophobicContact CD1-CD1 4.24Å; L906-L917 HydrophobicContact CD2-CB 4.45Å; L906-L917 HydrophobicContact CG-CB 4.41Å; L906-F1075 HydrophobicContact CD1-CE1 3.59Å; L906-F1075 HydrophobicContact CD1-CZ 3.95Å; L906-V1139 HydrophobicContact CD1-CB 4.26Å; L906-V1139 HydrophobicContact CD1-CG2 3.7Å; L906-V1139 HydrophobicContact CD2-CG2 3.75Å; L906-V1139 HydrophobicContact CG-CG2 4.39Å |
| 907 | L | 81.5 | Confident | 80.8 | Confident | 15 Ų | 15 | 34 Ų | 34 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.5 | -168.7 | -58.6 | 157.3 | 0 | 0 | 0 | 109.1 | G885 R886 T905 S912 I913 I1473 | G885-L907 CarbonylContact C-O 3.55Å; G885-L907 WeakPolarHBondContact CA-O 3.32Å; R886-L907 PolarHBondContact N-O 3.1Å; R886-L907 PolarHBondContact O-N 3.3Å; T905-L907 HydrophobicContact CG2-CD2 4.33Å; L907-S912 WeakPolarHBondContact CA-O 3.36Å; L907-I913 HydrophobicContact CD2-CG1 4.32Å; L907-I1473 HydrophobicContact CD1-CG2 3.48Å; L907-I1473 VanDerWaalsContact CD1-CG2 3.48Å; L907-I1473 HydrophobicContact CD2-CG2 4.49Å |
| 908 | N | 76.2 | Confident | 81.1 | Confident | 41 Ų | 41 | 34.1 Ų | 34.1 | 22% | 0.219 | 19% | 0.185 | C | C | . | . | trans | -69.7 | 175.8 | 168.2 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | H910 S911 S912 T914 | N908-H910 PolarHBondContact O-N 2.91Å; N908-S911 VanDerWaalsContact O-CA 3.26Å; N908-S911 WeakPolarHBondContact O-CA 3.5Å; N908-S911 PolarHBondContact O-N 3.48Å; N908-S911 PolarHBondContact OD1-N 2.8Å; N908-S912 PolarHBondContact N-O 3.26Å; N908-S912 PolarHBondContact ND2-OG 2.81Å; N908-S912 PolarHBondContact OD1-N 2.81Å; N908-S912 PolarHBondContact OD1-O 2.82Å; N908-S912 PolarHBondContact OD1-OG 2.99Å; N908-T914 HydrophobicContact CB-CG2 3.73Å | ||
| 909 | E | 64.8 | Low | 81.5 | Confident | 93 Ų | 93 | 32.9 Ų | 32.9 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -42.6 | 174.7 | -74.4 | 131.5 | -138.5 | 0 | 0 | 111.7 | N867 S911 | N867-E909 PolarHBondContact ND2-OE2 2.75Å; E909-S911 PolarHBondContact O-N 3.09Å |
| 910 | H | 61.4 | Low | 81.7 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 25% | 0.245 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 12 | 176 | -48.9 | -15.9 | 0 | 0 | 0 | 113.7 | N908 S912 R1164 R1469 | N908-H910 PolarHBondContact O-N 2.91Å; H910-S912 PolarHBondContact O-N 3.32Å; H910-R1164 PolarHBondContact CD2-NH2 3.3Å; H910-R1164 VanDerWaalsContact CD2-NH2 3.34Å; H910-R1164 PolarHBondContact CE1-NH2 3.36Å; H910-R1164 PolarHBondContact NE2-NH2 2.79Å; H910-R1469 PolarHBondContact O-NH1 3.28Å; H910-R1469 PolarHBondContact O-NH2 3.29Å |
| 911 | S | 62.4 | Low | 81.9 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | trans | 45.9 | 37 | 176.3 | 22.4 | 0 | 0 | 0 | 0 | 114.6 | N908 E909 R1469 | N908-S911 VanDerWaalsContact O-CA 3.26Å; N908-S911 WeakPolarHBondContact O-CA 3.5Å; N908-S911 PolarHBondContact O-N 3.48Å; N908-S911 PolarHBondContact OD1-N 2.8Å; E909-S911 PolarHBondContact O-N 3.09Å; S911-R1469 PolarHBondContact O-NH2 3.45Å; S911-R1469 WeakPolarHBondContact OG-CD 3.31Å; S911-R1469 PolarHBondContact OG-NE 2.97Å; S911-R1469 PolarHBondContact OG-NH1 2.82Å; S911-R1469 VanDerWaalsContact OG-NH1 3.15Å | ||
| 912 | S | 67.4 | Low | 81.8 | Confident | 28 Ų | 28 | 30.9 Ų | 30.9 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | trans | -91.6 | 149.4 | 166.1 | 70.4 | 0 | 0 | 0 | 0 | 109.6 | L907 N908 H910 T914 C1162 | L907-S912 WeakPolarHBondContact CA-O 3.36Å; N908-S912 PolarHBondContact N-O 3.26Å; N908-S912 PolarHBondContact ND2-OG 2.81Å; N908-S912 PolarHBondContact OD1-N 2.81Å; N908-S912 PolarHBondContact OD1-O 2.82Å; N908-S912 PolarHBondContact OD1-OG 2.99Å; H910-S912 PolarHBondContact O-N 3.32Å; S912-T914 PolarHBondContact O-N 2.84Å; S912-C1162 VanDerWaalsContact CB-SG 3.54Å | ||
| 913 | I | 78.1 | Confident | 82 | Confident | 120 Ų | 120 | 31.7 Ų | 31.7 | 62% | 0.615 | 16% | 0.163 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 109.4 | -179 | -58.3 | 177.5 | 0 | 0 | 0 | 108.7 | T905 L906 L907 | T905-I913 HydrophobicContact CG2-CB 4.23Å; T905-I913 HydrophobicContact CG2-CD1 3.9Å; T905-I913 HydrophobicContact CG2-CG1 3.71Å; T905-I913 HydrophobicContact CG2-CG2 3.66Å; L906-I913 WeakPolarHBondContact O-CA 3.32Å; L907-I913 HydrophobicContact CD2-CG1 4.32Å |
| 914 | T | 80.6 | Confident | 81.8 | Confident | 30 Ų | 30 | 29.1 Ų | 29.1 | 18% | 0.184 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -8.1 | -179.9 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | I884 L906 N908 S912 K1074 F1075 | I884-T914 VanDerWaalsContact O-CB 3.26Å; I884-T914 WeakPolarHBondContact O-CB 3.26Å; I884-T914 WeakPolarHBondContact O-CG2 3.31Å; I884-T914 PolarHBondContact O-OG1 3.43Å; L906-T914 PolarHBondContact O-N 2.77Å; L906-T914 PolarHBondContact O-OG1 2.81Å; N908-T914 HydrophobicContact CB-CG2 3.73Å; S912-T914 PolarHBondContact O-N 2.84Å; T914-K1074 VanDerWaalsContact O-O 3.05Å; T914-F1075 WeakPolarHBondContact O-CD1 3.43Å |
| 915 | G | 83.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | -174.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L906 K1073 | L906-G915 PolarHBondContact N-O 3.25Å; G915-K1073 CarbonylContact C-O 3.59Å; G915-K1073 VanDerWaalsContact CA-O 3.26Å; G915-K1073 WeakPolarHBondContact CA-O 3.2Å |
| 916 | I | 86.8 | Confident | 80.1 | Confident | 33 Ų | 33 | 37.4 Ų | 37.4 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127.2 | 175.8 | -55.6 | 176.5 | 0 | 0 | 0 | 109.1 | Q903 V904 A1072 K1073 K1074 | Q903-I916 HydrophobicContact CB-CG2 3.99Å; V904-I916 WeakPolarHBondContact O-CA 3.44Å; I916-A1072 CarbonylContact O-C 3.59Å; I916-A1072 WeakPolarHBondContact O-CA 3.41Å; I916-K1073 PolarHBondContact N-O 3.49Å; I916-K1073 PolarHBondContact O-N 2.89Å; I916-K1074 HydrophobicContact CD1-CD 4.24Å |
| 917 | L | 88.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.7 | 171.3 | -144.3 | 74.2 | 0 | 0 | 0 | 109.6 | Q903 V904 L906 I919 I1069 A1072 I1112 F1137 V1139 | Q903-L917 CarbonylContact C-O 3.56Å; V904-L917 PolarHBondContact N-O 3.27Å; V904-L917 PolarHBondContact O-N 3.02Å; L906-L917 HydrophobicContact CD1-CB 4.23Å; L906-L917 HydrophobicContact CD1-CD1 4.24Å; L906-L917 HydrophobicContact CD2-CB 4.45Å; L906-L917 HydrophobicContact CG-CB 4.41Å; L917-I919 HydrophobicContact CB-CD1 4.35Å; L917-I919 HydrophobicContact CB-CG1 4.16Å; L917-I919 HydrophobicContact CD2-CD1 3.8Å; L917-I919 HydrophobicContact CD2-CG1 3.95Å; L917-I919 HydrophobicContact CG-CD1 4.42Å; L917-I919 HydrophobicContact CG-CG1 4.13Å; L917-I1069 HydrophobicContact CD1-CG2 4.35Å; L917-I1069 HydrophobicContact CD2-CG2 3.98Å; L917-I1069 HydrophobicContact CG-CG2 4.11Å; L917-A1072 HydrophobicContact CD1-CB 3.59Å; L917-I1112 HydrophobicContact CD1-CD1 4.23Å; L917-F1137 HydrophobicContact CD2-CB 4.45Å; L917-F1137 HydrophobicContact CD2-CD1 3.86Å; L917-F1137 HydrophobicContact CD2-CG 4.36Å; L917-V1139 HydrophobicContact CD1-CG2 4.12Å |
| 918 | N | 89.2 | Confident | 75.8 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114 | 172.2 | -68.3 | -63.6 | 0 | 0 | 0 | 109 | Q903 L1070 N1071 | Q903-N918 VanDerWaalsContact CG-OD1 3.23Å; Q903-N918 WeakPolarHBondContact CG-OD1 3.41Å; Q903-N918 PolarHBondContact NE2-OD1 2.77Å; N918-L1070 HydrophobicContact CB-CB 4.48Å; N918-L1070 WeakPolarHBondContact O-CB 3.36Å; N918-L1070 PolarHBondContact O-N 3.31Å; N918-N1071 PolarHBondContact N-O 3.04Å; N918-N1071 PolarHBondContact ND2-OD1 3.42Å |
| 919 | I | 90.8 | Very high | 73.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.9 | -172.3 | -40.4 | 177.2 | 0 | 0 | 0 | 108.9 | L889 T901 S902 V904 L917 I1067 N1068 F1137 | L889-I919 HydrophobicContact CD2-CB 4.4Å; L889-I919 HydrophobicContact CD2-CD1 4.15Å; L889-I919 HydrophobicContact CD2-CG2 3.97Å; T901-I919 CarbonylContact C-O 3.42Å; T901-I919 WeakPolarHBondContact CA-O 3.36Å; S902-I919 PolarHBondContact N-O 3.47Å; S902-I919 PolarHBondContact O-N 2.7Å; V904-I919 HydrophobicContact CB-CD1 4.12Å; V904-I919 HydrophobicContact CG2-CD1 3.61Å; V904-I919 HydrophobicContact CG2-CG1 4.21Å; L917-I919 HydrophobicContact CB-CD1 4.35Å; L917-I919 HydrophobicContact CB-CG1 4.16Å; L917-I919 HydrophobicContact CD2-CD1 3.8Å; L917-I919 HydrophobicContact CD2-CG1 3.95Å; L917-I919 HydrophobicContact CG-CD1 4.42Å; L917-I919 HydrophobicContact CG-CG1 4.13Å; I919-I1067 HydrophobicContact CG2-CG2 3.76Å; I919-N1068 CarbonylContact C-O 3.51Å; I919-N1068 WeakPolarHBondContact CA-O 3.5Å; I919-N1068 WeakPolarHBondContact CG2-O 3.08Å; I919-F1137 HydrophobicContact CD1-CD1 3.91Å; I919-F1137 HydrophobicContact CD1-CD2 3.91Å; I919-F1137 HydrophobicContact CD1-CE1 3.78Å; I919-F1137 HydrophobicContact CD1-CE2 3.76Å; I919-F1137 HydrophobicContact CD1-CG 4Å; I919-F1137 HydrophobicContact CD1-CZ 3.7Å; I919-F1137 HydrophobicContact CG2-CZ 4.27Å |
| 920 | E | 91.7 | Very high | 72 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.9 | 171.7 | 178.4 | -162.2 | -152 | 0 | 0 | 110.5 | M900 T901 Q922 N1068 L1070 | M900-E920 WeakPolarHBondContact O-CA 3.41Å; T901-E920 HydrophobicContact CG2-CB 4.22Å; E920-Q922 HydrophobicContact CG-CG 3.89Å; E920-Q922 PolarHBondContact OE1-NE2 3.43Å; E920-Q922 PolarHBondContact OE2-NE2 3.25Å; E920-Q922 VanDerWaalsContact OE2-NE2 3.14Å; E920-N1068 HydrophobicContact CB-CB 4.17Å; E920-N1068 PolarHBondContact N-O 3.48Å; E920-N1068 PolarHBondContact O-N 3.05Å; E920-N1068 PolarHBondContact OE2-ND2 2.67Å; E920-L1070 HydrophobicContact CB-CD1 4.18Å; E920-L1070 HydrophobicContact CB-CG 4.47Å |
| 921 | V | 91.7 | Very high | 70.6 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.2 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | L889 L891 N893 L894 P899 M900 R1066 I1067 | L889-V921 HydrophobicContact CD2-CG2 3.7Å; L891-V921 HydrophobicContact CD2-CG1 4.31Å; L891-V921 HydrophobicContact CD2-CG2 4.02Å; N893-V921 PolarHBondContact ND2-O 3.03Å; L894-V921 HydrophobicContact CD1-CG1 4.29Å; L894-V921 HydrophobicContact CD2-CG1 3.67Å; L894-V921 HydrophobicContact CG-CG1 3.99Å; P899-V921 CarbonylContact C-O 3.5Å; P899-V921 VanDerWaalsContact CA-O 3.28Å; P899-V921 WeakPolarHBondContact CA-O 3.39Å; M900-V921 PolarHBondContact N-O 3.35Å; M900-V921 PolarHBondContact O-N 3.07Å; V921-R1066 WeakPolarHBondContact CA-O 3.36Å; V921-I1067 HydrophobicContact CG2-CG1 4.46Å |
| 922 | Q | 88.8 | Confident | 69 | Low | 49 Ų | 49 | 77.6 Ų | 77.6 | 23% | 0.229 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.2 | -178.8 | -57.4 | -178.7 | -28.3 | 0 | 0 | 110.8 | P899 E920 F1065 R1066 | P899-Q922 HydrophobicContact CB-CB 4.46Å; P899-Q922 HydrophobicContact CB-CG 4.17Å; E920-Q922 HydrophobicContact CG-CG 3.89Å; E920-Q922 PolarHBondContact OE1-NE2 3.43Å; E920-Q922 PolarHBondContact OE2-NE2 3.25Å; E920-Q922 VanDerWaalsContact OE2-NE2 3.14Å; Q922-F1065 CarbonylContact O-C 3.52Å; Q922-F1065 VanDerWaalsContact O-CA 3.29Å; Q922-F1065 WeakPolarHBondContact O-CA 3.42Å; Q922-F1065 WeakPolarHBondContact O-CB 3.24Å; Q922-R1066 HydrophobicContact CB-CB 4.37Å; Q922-R1066 PolarHBondContact N-O 2.92Å; Q922-R1066 PolarHBondContact O-N 2.76Å |
| 923 | P | 88.9 | Confident | 67.2 | Low | 20 Ų | 20 | 85 Ų | 85 | 13% | 0.13 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 130.3 | 167.9 | 30.5 | -30.7 | 0 | 0 | 0 | 110.3 | L894 G897 L925 F1063 | L894-P923 HydrophobicContact CD2-CB 4.19Å; G897-P923 WeakPolarHBondContact O-CG 3.14Å; P923-L925 VanDerWaalsContact C-N 3.32Å; P923-L925 HydrophobicContact CB-CD2 4.34Å; P923-L925 HydrophobicContact CB-CG 4.21Å; P923-L925 PolarHBondContact O-N 2.8Å; P923-L925 VanDerWaalsContact O-N 3.16Å; P923-F1063 HydrophobicContact CB-CE2 4.25Å; P923-F1063 HydrophobicContact CB-CZ 3.88Å |
| 924 | I | 85.4 | Confident | 64.9 | Low | 44 Ų | 44 | 85 Ų | 85 | 23% | 0.226 | 41% | 0.411 | C | S | . | . | trans | -90.7 | 73.6 | 177.8 | -53.4 | 168.9 | 0 | 0 | 0 | 107.9 | K1064 R1066 N1117 | I924-K1064 HydrophobicContact CB-CB 3.81Å; I924-K1064 HydrophobicContact CD1-CB 4.33Å; I924-K1064 HydrophobicContact CG2-CB 4.42Å; I924-K1064 PolarHBondContact N-O 3.2Å; I924-R1066 HydrophobicContact CD1-CB 4.2Å; I924-R1066 HydrophobicContact CG1-CB 4.36Å; I924-N1117 HydrophobicContact CD1-CB 4.33Å | ||
| 925 | L | 78.9 | Confident | 62.6 | Low | 55 Ų | 55 | 89 Ų | 89 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | trans | -75 | 124.4 | 175 | -57.2 | -178.7 | 0 | 0 | 0 | 109.4 | P923 L927 F1056 F1063 | P923-L925 VanDerWaalsContact C-N 3.32Å; P923-L925 HydrophobicContact CB-CD2 4.34Å; P923-L925 HydrophobicContact CB-CG 4.21Å; P923-L925 PolarHBondContact O-N 2.8Å; P923-L925 VanDerWaalsContact O-N 3.16Å; L925-L927 HydrophobicContact CB-CD1 4.02Å; L925-L927 HydrophobicContact CB-CG 4.2Å; L925-L927 HydrophobicContact CD1-CD1 4.16Å; L925-L927 PolarHBondContact O-N 3.12Å; L925-F1056 HydrophobicContact CD2-CB 3.71Å; L925-F1056 HydrophobicContact CD2-CD1 4.31Å; L925-F1056 HydrophobicContact CD2-CD2 3.88Å; L925-F1056 HydrophobicContact CD2-CG 3.7Å; L925-F1063 HydrophobicContact CD2-CE2 4.05Å | ||
| 926 | N | 59.9 | Low | 60 | Low | 137 Ų | 137 | 95.4 Ų | 95.4 | 73% | 0.733 | 47% | 0.469 | S | S | * | . | trans | -75.7 | 47.8 | 178.2 | -78.4 | -48.8 | 0 | 0 | 0 | 113 | N928 | N926-N928 PolarHBondContact O-N 3.02Š| ||
| 927 | L | 45.7 | Very low | 57.4 | Low | 140 Ų | 140 | 101.2 Ų | 101.2 | 73% | 0.733 | 50% | 0.5 | S | S | * | . | trans | -75.5 | 58.8 | 171.2 | -71.7 | 165.1 | 0 | 0 | 0 | 110.6 | L925 | L925-L927 HydrophobicContact CB-CD1 4.02Å; L925-L927 HydrophobicContact CB-CG 4.2Å; L925-L927 HydrophobicContact CD1-CD1 4.16Å; L925-L927 PolarHBondContact O-N 3.12Å | ||
| 928 | N | 32.3 | Very low | 54.8 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 83% | 0.834 | 54% | 0.536 | S | S | * | . | trans | -171.4 | 76.2 | 162.9 | -94.9 | -27.1 | 0 | 0 | 0 | 110.7 | N926 | N926-N928 PolarHBondContact O-N 3.02Š| ||
| 929 | R | 28.8 | Very low | 51.9 | Low | 226 Ų | 226 | 113.8 Ų | 113.8 | 85% | 0.853 | 57% | 0.567 | S | S | * | * | trans | -108.3 | 146.3 | 146.3 | -76.7 | -175.8 | 173.3 | 177.9 | -1.1 | 107 | ||||
| 930 | Y | 31.5 | Very low | 48.9 | Very low | 223 Ų | 223 | 121.1 Ų | 121.1 | 88% | 0.875 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 86.9 | 142 | -169.5 | -59.3 | -77.8 | 0 | 0 | 0 | 116.5 | ||
| 931 | E | 32.2 | Very low | 45.8 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 84% | 0.841 | 62% | 0.624 | S | S | * | * | trans | 74.2 | 64.1 | 163.1 | -45.9 | -141 | 141.6 | 0 | 0 | 121 | ||||
| 932 | N | 28 | Very low | 42.7 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | 28.2 | 118.2 | 121.6 | -76.8 | -61.5 | 0 | 0 | 0 | 121.7 | |||||
| 933 | K | 29 | Very low | 39.8 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | 76.8 | 159 | 125.1 | -65.1 | 176.6 | -179.5 | 177 | 0 | 121.4 | |||||
| 934 | T | 31.3 | Very low | 36.8 | Very low | 122 Ų | 122 | 140 Ų | 140 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | 79.9 | 94.5 | 158.6 | 22.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 935 | T | 32 | Very low | 34.1 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | 69 | 118.2 | 129.1 | 52 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 936 | N | 29.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 54.7 | 136.1 | 127 | -57.5 | 20.6 | 0 | 0 | 0 | 118.9 | |||||
| 937 | D | 32 | Very low | 30.2 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | cis | -142.3 | -179.5 | 49.6 | -113.1 | -33.5 | 0 | 0 | 0 | 116.8 | ||||
| 938 | Q | 32.7 | Very low | 29.3 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -104.5 | -173.3 | -161.5 | -58 | -177.1 | -31 | 0 | 0 | 115.7 | ||||
| 939 | T | 28.7 | Very low | 29.1 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 82.6 | 139.6 | 167.5 | 74 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 940 | I | 28.6 | Very low | 29 | Very low | 153 Ų | 153 | 143 Ų | 143 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | cis | -156.7 | 148.4 | 1.4 | -122 | 161.2 | 0 | 0 | 0 | 108.4 | ||||
| 941 | C | 25.7 | Very low | 29 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 58% | 0.581 | 75% | 0.746 | S | S | * | * | cis | -166.4 | 149.4 | -29.1 | -111.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 942 | Q | 27.1 | Very low | 29.7 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | trans | 57.7 | 112.7 | 138 | -64.4 | 167.7 | -42.2 | 0 | 0 | 122.8 | ||||
| 943 | S | 27.9 | Very low | 31 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | 177.6 | 69.6 | 116.1 | 62.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 944 | E | 26.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | 42.5 | 97.4 | 81.6 | -84.5 | -173.3 | -133 | 0 | 0 | 115.2 | |||||
| 945 | V | 28.9 | Very low | 35.3 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | trans | -131.3 | 122.7 | 140.9 | 177.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 946 | N | 25.1 | Very low | 37.6 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | trans | -79.4 | 122.4 | -179.3 | -71.7 | -71.5 | 0 | 0 | 0 | 110.9 | ||||
| 947 | I | 30.3 | Very low | 40.2 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | trans | -131.8 | 99.8 | 160.9 | -56.5 | -177 | 0 | 0 | 0 | 109.4 | ||||
| 948 | N | 27.8 | Very low | 42.5 | Very low | 128 Ų | 128 | 117.8 Ų | 117.8 | 68% | 0.684 | 64% | 0.643 | S | S | * | * | trans | 34.2 | 97.8 | 153.5 | -59 | -17.9 | 0 | 0 | 0 | 119.1 | N950 | N948-N950 PolarHBondContact O-N 2.52Š| ||
| 949 | T | 27 | Very low | 44.9 | Very low | 143 Ų | 143 | 110.4 Ų | 110.4 | 88% | 0.877 | 61% | 0.608 | S | S | * | * | trans | -65.2 | 89.3 | 153.9 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 950 | N | 28 | Very low | 47.4 | Very low | 127 Ų | 127 | 107.6 Ų | 107.6 | 68% | 0.679 | 59% | 0.588 | S | S | * | * | trans | -126.5 | 118.9 | 173.2 | -81.3 | -22.1 | 0 | 0 | 0 | 110.2 | N948 Y952 | N948-N950 PolarHBondContact O-N 2.52Å; N950-Y952 PolarHBondContact O-N 3.14Å | ||
| 951 | G | 31.7 | Very low | 49.8 | Very low | 65 Ų | 65 | 100.9 Ų | 100.9 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | trans | 58.7 | 49 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | D953 | G951-D953 PolarHBondContact O-N 3.46Š| ||
| 952 | Y | 45.8 | Very low | 52.2 | Low | 163 Ų | 163 | 99.8 Ų | 99.8 | 64% | 0.639 | 55% | 0.548 | S | S | * | . | trans | -75 | 76.5 | 159.2 | -72.6 | -62.5 | 0 | 0 | 0 | 109.9 | N950 | N950-Y952 PolarHBondContact O-N 3.14Š| ||
| 953 | D | 56.5 | Low | 54.6 | Low | 121 Ų | 121 | 99 Ų | 99 | 65% | 0.647 | 54% | 0.544 | S | S | * | . | trans | -59.2 | 137.2 | -178.3 | -74 | -29.1 | 0 | 0 | 0 | 111.7 | G951 L955 Q1116 | G951-D953 PolarHBondContact O-N 3.46Å; D953-L955 PolarHBondContact O-N 3.24Å; D953-Q1116 PolarHBondContact O-NE2 3.02Å; D953-Q1116 VanDerWaalsContact O-NE2 3.16Å | ||
| 954 | E | 68.8 | Low | 57.3 | Low | 97 Ų | 97 | 93.5 Ų | 93.5 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | trans | -75.3 | 89.6 | 175.8 | -64.5 | -166.2 | 140.8 | 0 | 0 | 109.6 | E956 K1064 | E954-E956 PolarHBondContact O-N 3.22Å; E954-K1064 IonicContact OE1-NZ 2.69Å; E954-K1064 PolarHBondContact OE1-NZ 2.87Å; E954-K1064 WeakPolarHBondContact OE2-CE 3.37Å; E954-K1064 IonicContact OE2-NZ 2.81Å; E954-K1064 PolarHBondContact OE2-NZ 2.75Å | ||
| 955 | L | 79.9 | Confident | 59.7 | Low | 63 Ų | 63 | 87.8 Ų | 87.8 | 33% | 0.33 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 121 | -179.3 | -65.6 | 179.7 | 0 | 0 | 0 | 110.8 | D953 F1096 Q1116 N1117 F1118 K1119 | D953-L955 PolarHBondContact O-N 3.24Å; L955-F1096 HydrophobicContact CD1-CD1 3.81Å; L955-F1096 HydrophobicContact CD1-CE1 3.77Å; L955-Q1116 HydrophobicContact CD1-CG 4.04Å; L955-N1117 PolarHBondContact N-O 3.15Å; L955-F1118 HydrophobicContact CB-CD1 4.01Å; L955-F1118 HydrophobicContact CB-CE1 4.12Å; L955-F1118 HydrophobicContact CD1-CE1 4.2Å; L955-F1118 WeakPolarHBondContact O-CA 3.49Å; L955-K1119 PolarHBondContact O-N 3.38Å |
| 956 | E | 81.7 | Confident | 62.1 | Low | 96 Ų | 96 | 88.6 Ų | 88.6 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 112.6 | -178.4 | -179.2 | 144 | -130.2 | 0 | 0 | 110.5 | E954 K1119 | E954-E956 PolarHBondContact O-N 3.22Å; E956-K1119 CarbonylContact C-O 3.43Å; E956-K1119 WeakPolarHBondContact CA-O 3.42Å; E956-K1119 HydrophobicContact CB-CD 4.3Å; E956-K1119 HydrophobicContact CG-CD 4.35Å; E956-K1119 WeakPolarHBondContact OE1-CE 3.35Å; E956-K1119 IonicContact OE1-NZ 2.65Å; E956-K1119 PolarHBondContact OE1-NZ 3.41Å; E956-K1119 IonicContact OE2-NZ 2.63Å; E956-K1119 PolarHBondContact OE2-NZ 3.34Å |
| 957 | I | 82.5 | Confident | 64.7 | Low | 4 Ų | 4 | 83.1 Ų | 83.1 | 2% | 0.021 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.7 | 179.4 | -57.9 | -176.2 | 0 | 0 | 0 | 109.5 | F959 F1088 F1096 F1118 K1119 | I957-F959 HydrophobicContact CG2-CD2 3.83Å; I957-F959 HydrophobicContact CG2-CE2 3.7Å; I957-F1088 HydrophobicContact CD1-CD2 4.09Å; I957-F1088 HydrophobicContact CD1-CE2 3.36Å; I957-F1088 HydrophobicContact CD1-CZ 3.82Å; I957-F1096 HydrophobicContact CD1-CE2 4.37Å; I957-F1096 HydrophobicContact CD1-CZ 4.1Å; I957-F1096 HydrophobicContact CG1-CZ 4.47Å; I957-F1118 HydrophobicContact CD1-CD1 3.43Å; I957-F1118 VanDerWaalsContact CD1-CD1 3.43Å; I957-F1118 HydrophobicContact CD1-CE1 3.75Å; I957-F1118 HydrophobicContact CD1-CG 4.09Å; I957-F1118 HydrophobicContact CG1-CD1 3.93Å; I957-F1118 HydrophobicContact CG1-CE1 4.4Å; I957-K1119 PolarHBondContact N-O 2.81Å |
| 958 | V | 81.7 | Confident | 66.6 | Low | 102 Ų | 102 | 77.9 Ų | 77.9 | 62% | 0.618 | 41% | 0.411 | S | S | * | . | trans | -110.6 | 94 | -175.2 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | D960 | V958-D960 VanDerWaalsContact C-N 3.3Å; V958-D960 PolarHBondContact O-N 3.14Å | ||
| 959 | F | 82.7 | Confident | 68.4 | Low | 5 Ų | 5 | 74 Ų | 74 | 2% | 0.022 | 39% | 0.394 | C | S | . | . | trans | -77.5 | 74.3 | 168.9 | -81.2 | -101.4 | 0 | 0 | 0 | 111 | I957 T961 Y964 F1088 H1090 V1120 T1123 F1126 Y1129 | I957-F959 HydrophobicContact CG2-CD2 3.83Å; I957-F959 HydrophobicContact CG2-CE2 3.7Å; F959-T961 PolarHBondContact O-N 3.04Å; F959-Y964 HydrophobicContact CD1-CD2 4.26Å; F959-F1088 HydrophobicContact CE2-CD1 4.36Å; F959-F1088 HydrophobicContact CE2-CE1 4.41Å; F959-F1088 AromaticContact CZ-CD1 3.79Å; F959-F1088 HydrophobicContact CZ-CD1 3.79Å; F959-F1088 HydrophobicContact CZ-CE1 4.12Å; F959-H1090 AromaticContact CD1-CE1 3.45Å; F959-H1090 VanDerWaalsContact CD1-CE1 3.45Å; F959-H1090 WeakPolarHBondContact CD1-CE1 3.39Å; F959-H1090 AromaticContact CD1-NE2 3.43Å; F959-H1090 WeakPolarHBondContact CD1-NE2 3.43Å; F959-H1090 AromaticContact CE1-CE1 3.09Å; F959-H1090 WeakPolarHBondContact CE1-CE1 3.46Å; F959-H1090 AromaticContact CE1-ND1 3.62Å; F959-H1090 AromaticContact CE1-NE2 3.59Å; F959-H1090 AromaticContact CE2-CE1 3.81Å; F959-H1090 AromaticContact CG-CE1 3.97Å; F959-H1090 AromaticContact CG-NE2 3.83Å; F959-H1090 AromaticContact CZ-CE1 3.3Å; F959-H1090 WeakPolarHBondContact CZ-CE1 3.45Å; F959-H1090 AromaticContact CZ-ND1 3.96Å; F959-V1120 HydrophobicContact CD2-CG2 3.82Å; F959-V1120 HydrophobicContact CE2-CG2 4.41Å; F959-T1123 WeakPolarHBondContact CB-OG1 3.48Å; F959-T1123 WeakPolarHBondContact O-CB 3.39Å; F959-T1123 VanDerWaalsContact O-CG2 3.31Å; F959-T1123 WeakPolarHBondContact O-CG2 3.46Å; F959-T1123 PolarHBondContact O-OG1 2.99Å; F959-F1126 HydrophobicContact CB-CB 3.98Å; F959-F1126 HydrophobicContact CD1-CB 4.12Å; F959-F1126 HydrophobicContact CD2-CB 4.11Å; F959-F1126 AromaticContact CD2-CD2 3.84Å; F959-F1126 HydrophobicContact CD2-CD2 3.84Å; F959-F1126 HydrophobicContact CD2-CG 4.37Å; F959-F1126 HydrophobicContact CE1-CD2 4.38Å; F959-F1126 AromaticContact CE2-CD2 3.62Å; F959-F1126 HydrophobicContact CE2-CD2 3.62Å; F959-F1126 HydrophobicContact CE2-CE2 4.32Å; F959-F1126 HydrophobicContact CG-CB 3.82Å; F959-F1126 HydrophobicContact CG-CD2 4.31Å; F959-F1126 AromaticContact CZ-CD2 3.91Å; F959-F1126 HydrophobicContact CZ-CD2 3.91Å; F959-Y1129 VanDerWaalsContact CE1-CB 3.5Å; F959-Y1129 HydrophobicContact CE1-CD1 4.49Å; F959-Y1129 AromaticContact CE1-CD2 3.82Å; F959-Y1129 HydrophobicContact CE1-CD2 3.82Å; F959-Y1129 AromaticContact CE1-CG 3.68Å; F959-Y1129 HydrophobicContact CE1-CG 3.68Å; F959-Y1129 HydrophobicContact CZ-CD1 4.38Å; F959-Y1129 HydrophobicContact CZ-CD2 4.31Å; F959-Y1129 AromaticContact CZ-CG 3.99Å; F959-Y1129 HydrophobicContact CZ-CG 3.99Å | ||
| 960 | D | 81.6 | Confident | 70 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 34% | 0.337 | 37% | 0.373 | S | S | . | . | trans | -62.5 | 118.1 | 172.3 | 177.4 | 87 | 0 | 0 | 0 | 110.5 | V958 S962 Q963 Y964 | V958-D960 VanDerWaalsContact C-N 3.3Å; V958-D960 PolarHBondContact O-N 3.14Å; D960-S962 PolarHBondContact O-N 3.08Å; D960-S962 VanDerWaalsContact O-N 3.11Å; D960-S962 WeakPolarHBondContact OD2-CA 3.29Å; D960-S962 VanDerWaalsContact OD2-CB 3.3Å; D960-S962 WeakPolarHBondContact OD2-CB 3.26Å; D960-S962 PolarHBondContact OD2-N 3.01Å; D960-S962 PolarHBondContact OD2-OG 2.8Å; D960-Q963 HydrophobicContact CB-CB 4.31Å; D960-Q963 HydrophobicContact CB-CG 4.25Å; D960-Q963 PolarHBondContact O-N 2.72Å; D960-Q963 PolarHBondContact OD2-N 2.89Å; D960-Y964 VanDerWaalsContact O-CB 3.28Å; D960-Y964 WeakPolarHBondContact O-CB 3.45Å; D960-Y964 PolarHBondContact O-N 2.99Å | ||
| 961 | T | 79.1 | Confident | 71.1 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.2 | -29.5 | -174.5 | -36 | 0 | 0 | 0 | 0 | 112.4 | F959 I965 E1039 L1042 V1124 | F959-T961 PolarHBondContact O-N 3.04Å; T961-I965 HydrophobicContact CG2-CD1 4.09Å; T961-I965 WeakPolarHBondContact O-CB 3.41Å; T961-I965 WeakPolarHBondContact O-CD1 3.04Å; T961-I965 WeakPolarHBondContact O-CG1 3.37Å; T961-I965 PolarHBondContact O-N 3.1Å; T961-E1039 WeakPolarHBondContact CB-OE1 3.49Å; T961-E1039 HydrophobicContact CG2-CG 4.06Å; T961-E1039 PolarHBondContact OG1-OE1 3.3Å; T961-L1042 HydrophobicContact CG2-CD1 4.38Å; T961-V1124 HydrophobicContact CG2-CB 4.38Å |
| 962 | S | 75.4 | Confident | 71.5 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -79 | -37.9 | -178 | 83.8 | 0 | 0 | 0 | 0 | 113.1 | D960 K966 | D960-S962 PolarHBondContact O-N 3.08Å; D960-S962 VanDerWaalsContact O-N 3.11Å; D960-S962 WeakPolarHBondContact OD2-CA 3.29Å; D960-S962 VanDerWaalsContact OD2-CB 3.3Å; D960-S962 WeakPolarHBondContact OD2-CB 3.26Å; D960-S962 PolarHBondContact OD2-N 3.01Å; D960-S962 PolarHBondContact OD2-OG 2.8Å; S962-K966 WeakPolarHBondContact O-CG 3.41Å; S962-K966 PolarHBondContact O-N 3.48Å |
| 963 | Q | 78.6 | Confident | 70.8 | Confident | 137 Ų | 137 | 63.6 Ų | 63.6 | 64% | 0.64 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.4 | -43.6 | 171.5 | -63.9 | -172.7 | 30.8 | 0 | 0 | 110.4 | D960 I965 K966 W967 | D960-Q963 HydrophobicContact CB-CB 4.31Å; D960-Q963 HydrophobicContact CB-CG 4.25Å; D960-Q963 PolarHBondContact O-N 2.72Å; D960-Q963 PolarHBondContact OD2-N 2.89Å; Q963-I965 VanDerWaalsContact C-N 3.34Å; Q963-I965 PolarHBondContact O-N 3.44Å; Q963-K966 WeakPolarHBondContact O-CB 3.22Å; Q963-K966 PolarHBondContact O-N 3.16Å; Q963-K966 VanDerWaalsContact O-N 3.16Å; Q963-W967 PolarHBondContact O-N 2.52Å |
| 964 | Y | 83 | Confident | 69.5 | Low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58 | -43.2 | 176.3 | -177 | -96.6 | 0 | 0 | 0 | 112.6 | F959 D960 W967 R968 L1042 H1090 D1128 Y1129 Y1133 | F959-Y964 HydrophobicContact CD1-CD2 4.26Å; D960-Y964 VanDerWaalsContact O-CB 3.28Å; D960-Y964 WeakPolarHBondContact O-CB 3.45Å; D960-Y964 PolarHBondContact O-N 2.99Å; Y964-W967 HydrophobicContact CD2-CE3 4.03Å; Y964-W967 HydrophobicContact CD2-CZ3 4.31Å; Y964-W967 AromaticContact CE2-CE3 3.67Å; Y964-W967 HydrophobicContact CE2-CE3 3.67Å; Y964-W967 AromaticContact CE2-CZ3 3.52Å; Y964-W967 HydrophobicContact CE2-CZ3 3.52Å; Y964-W967 AromaticContact CZ-CZ3 3.98Å; Y964-W967 PolarHBondContact O-N 2.92Å; Y964-R968 HydrophobicContact CE1-CB 4.4Å; Y964-R968 WeakPolarHBondContact O-CB 3.49Å; Y964-R968 PolarHBondContact O-N 3.33Å; Y964-L1042 HydrophobicContact CD1-CD1 3.99Å; Y964-L1042 HydrophobicContact CE1-CD1 4.12Å; Y964-H1090 HydrophobicContact CD2-CB 4.28Å; Y964-H1090 AromaticContact CD2-CD2 3.91Å; Y964-D1128 HydrophobicContact CE1-CB 3.94Å; Y964-D1128 WeakPolarHBondContact CE1-OD2 3.46Å; Y964-D1128 VanDerWaalsContact CZ-OD2 3.32Å; Y964-D1128 VanDerWaalsContact OH-CG 3.31Å; Y964-D1128 PolarHBondContact OH-OD2 3.49Å; Y964-Y1129 HydrophobicContact CE2-CD2 4.06Å; Y964-Y1133 WeakPolarHBondContact OH-CE2 3.33Å |
| 965 | I | 78.1 | Confident | 67.6 | Low | 29 Ų | 29 | 64.9 Ų | 64.9 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 175.3 | -77.2 | 166.8 | 0 | 0 | 0 | 112.2 | T961 Q963 W967 R968 S969 S1038 L1042 | T961-I965 HydrophobicContact CG2-CD1 4.09Å; T961-I965 WeakPolarHBondContact O-CB 3.41Å; T961-I965 WeakPolarHBondContact O-CD1 3.04Å; T961-I965 WeakPolarHBondContact O-CG1 3.37Å; T961-I965 PolarHBondContact O-N 3.1Å; Q963-I965 VanDerWaalsContact C-N 3.34Å; Q963-I965 PolarHBondContact O-N 3.44Å; I965-W967 VanDerWaalsContact C-N 3.35Å; I965-R968 PolarHBondContact O-N 2.71Å; I965-S969 VanDerWaalsContact O-CB 3.23Å; I965-S969 WeakPolarHBondContact O-CB 3.46Å; I965-S969 PolarHBondContact O-N 3.47Å; I965-S969 PolarHBondContact O-OG 3.48Å; I965-S1038 WeakPolarHBondContact CD1-O 3.37Å; I965-L1042 HydrophobicContact CD1-CD1 3.96Å; I965-L1042 HydrophobicContact CG1-CD1 3.52Å |
| 966 | K | 78.1 | Confident | 64.9 | Low | 152 Ų | 152 | 65.7 Ų | 65.7 | 66% | 0.661 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.1 | -45.9 | 176.5 | -72.2 | 171.2 | -178.6 | -179.8 | 0 | 110.8 | S962 Q963 S969 S970 | S962-K966 WeakPolarHBondContact O-CG 3.41Å; S962-K966 PolarHBondContact O-N 3.48Å; Q963-K966 WeakPolarHBondContact O-CB 3.22Å; Q963-K966 PolarHBondContact O-N 3.16Å; Q963-K966 VanDerWaalsContact O-N 3.16Å; K966-S969 PolarHBondContact O-N 3.24Å; K966-S970 PolarHBondContact O-N 2.63Å; K966-S970 VanDerWaalsContact O-N 3.12Å |
| 967 | W | 79.9 | Confident | 62.2 | Low | 27 Ų | 27 | 68 Ų | 68 | 10% | 0.102 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.2 | -52.7 | 175.6 | 174 | 80.7 | 0 | 0 | 0 | 112 | Q963 Y964 I965 S969 S970 M971 Q1089 H1090 Y1129 Y1133 | Q963-W967 PolarHBondContact O-N 2.52Å; Y964-W967 HydrophobicContact CD2-CE3 4.03Å; Y964-W967 HydrophobicContact CD2-CZ3 4.31Å; Y964-W967 AromaticContact CE2-CE3 3.67Å; Y964-W967 HydrophobicContact CE2-CE3 3.67Å; Y964-W967 AromaticContact CE2-CZ3 3.52Å; Y964-W967 HydrophobicContact CE2-CZ3 3.52Å; Y964-W967 AromaticContact CZ-CZ3 3.98Å; Y964-W967 PolarHBondContact O-N 2.92Å; I965-W967 VanDerWaalsContact C-N 3.35Å; W967-S969 VanDerWaalsContact C-N 3.32Å; W967-S969 PolarHBondContact O-N 2.75Å; W967-S970 WeakPolarHBondContact O-CB 3.38Å; W967-S970 PolarHBondContact O-N 3.46Å; W967-S970 PolarHBondContact O-OG 3.05Å; W967-M971 HydrophobicContact CD2-SD 4.34Å; W967-M971 HydrophobicContact CH2-SD 3.6Å; W967-M971 VanDerWaalsContact CH2-SD 3.6Å; W967-M971 HydrophobicContact CZ2-SD 3.24Å; W967-M971 WeakPolarHBondContact CZ2-SD 3.09Å; W967-M971 HydrophobicContact CZ3-SD 4.26Å; W967-M971 PolarHBondContact O-N 3.32Å; W967-Q1089 HydrophobicContact CH2-CB 4.16Å; W967-Q1089 HydrophobicContact CZ2-CB 3.54Å; W967-Q1089 PolarHBondContact NE1-O 3.43Å; W967-H1090 HydrophobicContact CB-CB 4.47Å; W967-H1090 HydrophobicContact CD2-CB 3.38Å; W967-H1090 HydrophobicContact CE3-CB 3.57Å; W967-H1090 HydrophobicContact CG-CB 3.8Å; W967-H1090 HydrophobicContact CH2-CB 4.18Å; W967-H1090 HydrophobicContact CZ2-CB 4.03Å; W967-H1090 HydrophobicContact CZ3-CB 3.97Å; W967-Y1129 HydrophobicContact CH2-CD2 4.41Å; W967-Y1129 HydrophobicContact CH2-CE2 4.16Å; W967-Y1129 HydrophobicContact CZ3-CD2 4.45Å; W967-Y1133 AromaticContact CH2-CD1 3.58Å; W967-Y1133 HydrophobicContact CH2-CD1 3.58Å; W967-Y1133 HydrophobicContact CH2-CD2 4.44Å; W967-Y1133 AromaticContact CH2-CE1 3.69Å; W967-Y1133 HydrophobicContact CH2-CE1 3.69Å; W967-Y1133 AromaticContact CH2-CG 3.97Å; W967-Y1133 HydrophobicContact CH2-CG 3.97Å; W967-Y1133 HydrophobicContact CZ3-CD1 4.24Å; W967-Y1133 HydrophobicContact CZ3-CD2 4.42Å; W967-Y1133 HydrophobicContact CZ3-CE1 4.07Å; W967-Y1133 HydrophobicContact CZ3-CE2 4.27Å; W967-Y1133 HydrophobicContact CZ3-CG 4.4Å |
| 968 | R | 71.6 | Confident | 59.4 | Low | 37 Ų | 37 | 72.3 Ų | 72.3 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 178.7 | 176.4 | 164.6 | 171.6 | -161.3 | -10.5 | 112.4 | Y964 I965 S970 M971 S972 L1042 S1045 D1128 | Y964-R968 HydrophobicContact CE1-CB 4.4Å; Y964-R968 WeakPolarHBondContact O-CB 3.49Å; Y964-R968 PolarHBondContact O-N 3.33Å; I965-R968 PolarHBondContact O-N 2.71Å; R968-S970 VanDerWaalsContact C-N 3.29Å; R968-S970 PolarHBondContact O-N 2.8Å; R968-M971 PolarHBondContact O-N 3.41Å; R968-S972 PolarHBondContact O-N 2.91Å; R968-S972 VanDerWaalsContact O-N 3.12Å; R968-S972 PolarHBondContact O-OG 2.82Å; R968-L1042 VanDerWaalsContact NH1-CD2 3.34Å; R968-S1045 PolarHBondContact NH2-OG 3.1Å; R968-D1128 WeakPolarHBondContact CD-OD2 3.45Å; R968-D1128 IonicContact CZ-OD1 2.73Å; R968-D1128 IonicContact CZ-OD2 3.25Å; R968-D1128 IonicContact NE-OD2 3.95Å; R968-D1128 IonicContact NH1-OD1 3.08Å; R968-D1128 PolarHBondContact NH1-OD1 2.8Å; R968-D1128 IonicContact NH1-OD2 3.4Å; R968-D1128 PolarHBondContact NH1-OD2 3.48Å |
| 969 | S | 65.3 | Low | 56.7 | Low | 46 Ų | 46 | 72.9 Ų | 72.9 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 175.1 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | I965 K966 W967 S972 T973 | I965-S969 VanDerWaalsContact O-CB 3.23Å; I965-S969 WeakPolarHBondContact O-CB 3.46Å; I965-S969 PolarHBondContact O-N 3.47Å; I965-S969 PolarHBondContact O-OG 3.48Å; K966-S969 PolarHBondContact O-N 3.24Å; W967-S969 VanDerWaalsContact C-N 3.32Å; W967-S969 PolarHBondContact O-N 2.75Å; S969-S972 WeakPolarHBondContact CA-OG 3.36Å; S969-S972 PolarHBondContact O-N 3.12Å; S969-S972 PolarHBondContact O-OG 2.9Å; S969-T973 PolarHBondContact O-N 3.04Å; S969-T973 VanDerWaalsContact O-N 3.1Å; S969-T973 PolarHBondContact O-OG1 2.95Å; S969-T973 VanDerWaalsContact O-OG1 3.13Å |
| 970 | S | 59.5 | Low | 54 | Low | 62 Ų | 62 | 75.2 Ų | 75.2 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.2 | -28.4 | 176.9 | 76 | 0 | 0 | 0 | 0 | 114 | K966 W967 R968 T973 T974 | K966-S970 PolarHBondContact O-N 2.63Å; K966-S970 VanDerWaalsContact O-N 3.12Å; W967-S970 WeakPolarHBondContact O-CB 3.38Å; W967-S970 PolarHBondContact O-N 3.46Å; W967-S970 PolarHBondContact O-OG 3.05Å; R968-S970 VanDerWaalsContact C-N 3.29Å; R968-S970 PolarHBondContact O-N 2.8Å; S970-T973 PolarHBondContact O-OG1 3.15Å; S970-T974 PolarHBondContact O-OG1 3.09Å |
| 971 | M | 52.6 | Low | 51.4 | Low | 65 Ų | 65 | 78 Ų | 78 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -76.6 | -28.9 | 172 | -69.1 | -170.2 | 75.5 | 0 | 0 | 113.3 | W967 R968 T974 N975 Y1133 | W967-M971 HydrophobicContact CD2-SD 4.34Å; W967-M971 HydrophobicContact CH2-SD 3.6Å; W967-M971 VanDerWaalsContact CH2-SD 3.6Å; W967-M971 HydrophobicContact CZ2-SD 3.24Å; W967-M971 WeakPolarHBondContact CZ2-SD 3.09Å; W967-M971 HydrophobicContact CZ3-SD 4.26Å; W967-M971 PolarHBondContact O-N 3.32Å; R968-M971 PolarHBondContact O-N 3.41Å; M971-T974 PolarHBondContact O-OG1 3.01Å; M971-T974 VanDerWaalsContact O-OG1 3.06Å; M971-N975 PolarHBondContact O-ND2 3.29Å; M971-Y1133 HydrophobicContact CE-CD1 4.47Å; M971-Y1133 HydrophobicContact CE-CE1 3.97Å; M971-Y1133 HydrophobicContact SD-CD1 4.38Å; M971-Y1133 HydrophobicContact SD-CE1 3.73Å |
| 972 | S | 39.2 | Very low | 48.9 | Very low | 55 Ų | 55 | 81.8 Ų | 81.8 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -74.9 | -41.2 | 174.2 | 45.2 | 0 | 0 | 0 | 0 | 112.6 | R968 S969 T974 N975 S976 | R968-S972 PolarHBondContact O-N 2.91Å; R968-S972 VanDerWaalsContact O-N 3.12Å; R968-S972 PolarHBondContact O-OG 2.82Å; S969-S972 WeakPolarHBondContact CA-OG 3.36Å; S969-S972 PolarHBondContact O-N 3.12Å; S969-S972 PolarHBondContact O-OG 2.9Å; S972-T974 PolarHBondContact O-N 3.27Å; S972-T974 VanDerWaalsContact O-N 3.1Å; S972-N975 PolarHBondContact O-N 3.36Å; S972-S976 PolarHBondContact O-N 3.22Å; S972-S976 PolarHBondContact O-OG 3.11Å |
| 973 | T | 31.7 | Very low | 46.6 | Very low | 98 Ų | 98 | 83.8 Ų | 83.8 | 60% | 0.601 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.2 | 178.9 | 45.5 | 0 | 0 | 0 | 0 | 114 | S969 S970 | S969-T973 PolarHBondContact O-N 3.04Å; S969-T973 VanDerWaalsContact O-N 3.1Å; S969-T973 PolarHBondContact O-OG1 2.95Å; S969-T973 VanDerWaalsContact O-OG1 3.13Å; S970-T973 PolarHBondContact O-OG1 3.15Å |
| 974 | T | 29.8 | Very low | 44.2 | Very low | 106 Ų | 106 | 82.4 Ų | 82.4 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 0.5 | 174.3 | 39.7 | 0 | 0 | 0 | 0 | 114.2 | S970 M971 S972 | S970-T974 PolarHBondContact O-OG1 3.09Å; M971-T974 PolarHBondContact O-OG1 3.01Å; M971-T974 VanDerWaalsContact O-OG1 3.06Å; S972-T974 PolarHBondContact O-N 3.27Å; S972-T974 VanDerWaalsContact O-N 3.1Å |
| 975 | N | 26.9 | Very low | 41.5 | Very low | 139 Ų | 139 | 89.8 Ų | 89.8 | 74% | 0.743 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.7 | 5.6 | -176.1 | -77.5 | -82.6 | 0 | 0 | 0 | 115.7 | M971 S972 | M971-N975 PolarHBondContact O-ND2 3.29Å; S972-N975 PolarHBondContact O-N 3.36Å |
| 976 | S | 24.8 | Very low | 39.2 | Very low | 81 Ų | 81 | 92.3 Ų | 92.3 | 57% | 0.566 | 51% | 0.51 | S | S | * | . | trans | -145.6 | 71.4 | -176.3 | 69.9 | 0 | 0 | 0 | 0 | 115.9 | S972 | S972-S976 PolarHBondContact O-N 3.22Å; S972-S976 PolarHBondContact O-OG 3.11Å | ||
| 977 | F | 24.7 | Very low | 36.8 | Very low | 145 Ų | 145 | 94.5 Ų | 94.5 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | trans | -141.4 | 113.2 | 155.4 | -88.7 | -82.4 | 0 | 0 | 0 | 108.7 | L1250 | F977-L1250 HydrophobicContact CD1-CD2 3.86Å; F977-L1250 HydrophobicContact CE1-CD2 3.59Å; F977-L1250 HydrophobicContact CZ-CD2 4.2Å | ||
| 978 | R | 22.8 | Very low | 34.3 | Very low | 93 Ų | 93 | 99.6 Ų | 99.6 | 35% | 0.351 | 55% | 0.549 | S | S | . | . | trans | -172.4 | 31.1 | 157.5 | -109.2 | -174.6 | -174.5 | -166.2 | 2.6 | 117.3 | E1248 R1314 | R978-E1248 VanDerWaalsContact CA-OE1 3.23Å; R978-E1248 WeakPolarHBondContact CA-OE1 3.49Å; R978-E1248 WeakPolarHBondContact CA-OE2 3.39Å; R978-E1248 WeakPolarHBondContact CG-OE2 3.47Å; R978-E1248 IonicContact NE-OE2 2.61Å; R978-R1314 PolarHBondContact O-NH2 3.3Å | ||
| 979 | T | 26.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 105.9 Ų | 105.9 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | trans | -152.8 | 105.5 | 177.5 | 51.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 980 | N | 24.1 | Very low | 30.4 | Very low | 54 Ų | 54 | 106.9 Ų | 106.9 | 29% | 0.289 | 60% | 0.601 | S | S | . | * | 60.1 | 105.8 | 124.2 | -51 | 4.6 | 0 | 0 | 0 | 121 | S1311 S1312 D1313 | N980-S1311 PolarHBondContact ND2-O 3.24Å; N980-S1312 VanDerWaalsContact OD1-CA 3.27Å; N980-S1312 WeakPolarHBondContact OD1-CA 3.31Å; N980-S1312 WeakPolarHBondContact OD1-CB 3.42Å; N980-D1313 WeakPolarHBondContact CA-OD1 3.3Å; N980-D1313 WeakPolarHBondContact CA-OD2 3.39Å; N980-D1313 PolarHBondContact N-OD2 2.91Å; N980-D1313 VanDerWaalsContact N-OD2 3.14Å | |||
| 981 | N | 28.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 113.9 Ų | 113.9 | 65% | 0.652 | 62% | 0.624 | S | S | * | * | 179.5 | 122.4 | 92.4 | -81.6 | -40.9 | 0 | 0 | 0 | 114.3 | D1313 | N981-D1313 WeakPolarHBondContact CA-OD1 3.1Å; N981-D1313 PolarHBondContact N-OD1 2.83Å; N981-D1313 PolarHBondContact N-OD2 2.88Å | |||
| 982 | Y | 25.8 | Very low | 27.7 | Very low | 91 Ų | 91 | 116 Ų | 116 | 36% | 0.357 | 64% | 0.642 | S | S | . | * | trans | 7.1 | 143.6 | 137.4 | -74 | -97.6 | 0 | 0 | 0 | 118.3 | E1309 S1312 D1313 | Y982-E1309 PolarHBondContact OH-O 2.83Å; Y982-S1312 WeakPolarHBondContact CE2-O 3.48Å; Y982-D1313 PolarHBondContact N-OD1 2.69Å | ||
| 983 | D | 26.9 | Very low | 27 | Very low | 105 Ų | 105 | 121 Ų | 121 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | 178.1 | 175.4 | 53.9 | -149.4 | -8.6 | 0 | 0 | 0 | 115.5 | |||||
| 984 | I | 28.4 | Very low | 26.8 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 55% | 0.554 | 65% | 0.654 | S | S | * | * | trans | 71.5 | 102.3 | 154.5 | -67.3 | 153.8 | 0 | 0 | 0 | 120.3 | K1254 | I984-K1254 PolarHBondContact O-NZ 3.23Š| ||
| 985 | N | 27.6 | Very low | 26.6 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 83% | 0.829 | 66% | 0.656 | S | S | * | * | 40.8 | 129.9 | 129.8 | -60.8 | -59.3 | 0 | 0 | 0 | 122.8 | |||||
| 986 | G | 28.2 | Very low | 26.4 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 86% | 0.856 | 66% | 0.655 | S | S | * | * | trans | -174.7 | 133.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 987 | K | 27.9 | Very low | 26.3 | Very low | 197 Ų | 197 | 124.9 Ų | 124.9 | 86% | 0.857 | 67% | 0.667 | S | S | * | * | trans | -109.6 | 160.9 | -175.4 | -74.8 | -178.5 | 176.7 | 173.9 | 0 | 113.4 | ||||
| 988 | N | 27.8 | Very low | 26.1 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | trans | 95.7 | 128.7 | 141.5 | -79.1 | -7 | 0 | 0 | 0 | 122.4 | ||||
| 989 | I | 27 | Very low | 26.1 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 86% | 0.862 | 69% | 0.69 | S | S | * | * | trans | 81.4 | 130.8 | 145.5 | -62 | 156.4 | 0 | 0 | 0 | 119.4 | ||||
| 990 | G | 27.5 | Very low | 26 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | trans | 134.6 | 90.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 991 | K | 27.1 | Very low | 26 | Very low | 208 Ų | 208 | 132.2 Ų | 132.2 | 90% | 0.904 | 71% | 0.705 | S | S | * | * | trans | -93 | 161.4 | 154.5 | -83.6 | -178.6 | 178.2 | 177.9 | 0 | 108.2 | ||||
| 992 | P | 28.7 | Very low | 25.8 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | cis | -155.7 | -173.9 | 42.5 | 45.9 | -23.9 | 0 | 0 | 0 | 119.1 | ||||
| 993 | K | 25.5 | Very low | 25.8 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | trans | 16.1 | 152 | 135.5 | -63.4 | 175.7 | 163.5 | -96.7 | 0 | 120.4 | ||||
| 994 | E | 26 | Very low | 25.8 | Very low | 115 Ų | 115 | 136 Ų | 136 | 54% | 0.537 | 73% | 0.732 | S | S | . | * | cis | -171.9 | 166.1 | -1.5 | -117.1 | 165 | -145.4 | 0 | 0 | 112.1 | ||||
| 995 | N | 25.8 | Very low | 25.8 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | trans | 68.6 | 124.1 | 151.2 | -60.6 | -28.1 | 0 | 0 | 0 | 123.9 | ||||
| 996 | C | 22.3 | Very low | 25.9 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | 59.2 | 127.4 | 130.8 | -65.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 997 | L | 22.7 | Very low | 25.8 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | trans | 63.7 | 104.5 | 133.5 | -63.2 | 172.3 | 0 | 0 | 0 | 120.6 | ||||
| 998 | S | 22.1 | Very low | 25.9 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | trans | 53.9 | 133.9 | 130.5 | 67.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 999 | F | 22.7 | Very low | 25.9 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | trans | 88.5 | 114.5 | 163.3 | -75.9 | -83.7 | 0 | 0 | 0 | 120.1 | ||||
| 1000 | Q | 23 | Very low | 26 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | 71 | 120.7 | 139.5 | -79.3 | 175.6 | -73.2 | 0 | 0 | 123.2 | ||||
| 1001 | E | 24.8 | Very low | 26.2 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | 73.1 | 123.3 | 127.1 | -71.5 | 160.9 | -158 | 0 | 0 | 121.8 | |||||
| 1002 | E | 24.9 | Very low | 26.3 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | 60.4 | 147.3 | 133.8 | -64.2 | -164.1 | 175.1 | 0 | 0 | 121.6 | ||||
| 1003 | S | 25.5 | Very low | 26.4 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 57% | 0.573 | 69% | 0.686 | S | S | * | * | cis | -171.2 | 179 | -17.9 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1004 | L | 26.3 | Very low | 26.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | trans | 72.4 | 120.7 | 162.1 | -60.1 | 171.2 | 0 | 0 | 0 | 117.3 | ||||
| 1005 | N | 28.2 | Very low | 26.8 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | 64 | 138.5 | 80 | -78.8 | -45 | 0 | 0 | 0 | 113.5 | |||||
| 1006 | K | 29.6 | Very low | 26.8 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | cis | -172.4 | -178.7 | 27.8 | -130.2 | 173.6 | 177.3 | -156.2 | 0 | 109 | ||||
| 1007 | Q | 27.5 | Very low | 27 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 53% | 0.533 | 70% | 0.701 | S | S | . | * | cis | -162.1 | -173 | 0.2 | -159 | 170.8 | -102.9 | 0 | 0 | 108.6 | ||||
| 1008 | F | 29.6 | Very low | 27.1 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | trans | 78.6 | 116.5 | 169.7 | -55.4 | -74.5 | 0 | 0 | 0 | 116.5 | ||||
| 1009 | S | 28 | Very low | 27.2 | Very low | 85 Ų | 85 | 142.5 Ų | 142.5 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | cis | 84.8 | 145.4 | 22.2 | 100.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1010 | D | 28.6 | Very low | 27.3 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | cis | -140.3 | 167.1 | 0.9 | -71.7 | -72 | 0 | 0 | 0 | 108 | ||||
| 1011 | Y | 30.7 | Very low | 27.5 | Very low | 213 Ų | 213 | 149.3 Ų | 149.3 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | -168.8 | 150.9 | 55.2 | -102.6 | -88.1 | 0 | 0 | 0 | 112.8 | |||||
| 1012 | D | 30.1 | Very low | 27.6 | Very low | 116 Ų | 116 | 150 Ų | 150 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | trans | -13.9 | 159 | 140.5 | -77.8 | -10.6 | 0 | 0 | 0 | 119.3 | ||||
| 1013 | K | 30.5 | Very low | 27.6 | Very low | 140 Ų | 140 | 145 Ų | 145 | 61% | 0.609 | 71% | 0.71 | S | S | * | * | cis | -174.5 | 175.8 | 5.6 | -113.8 | 175.3 | 175.4 | 70 | 0 | 109.6 | ||||
| 1014 | E | 28.4 | Very low | 27.7 | Very low | 141 Ų | 141 | 148 Ų | 148 | 66% | 0.659 | 72% | 0.715 | S | S | * | * | cis | -155.9 | -159.3 | -8.9 | -162 | 95.5 | -89.7 | 0 | 0 | 106.8 | ||||
| 1015 | N | 31.2 | Very low | 27.6 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | trans | 68.1 | 145.8 | 171.6 | -63.6 | -7.7 | 0 | 0 | 0 | 119.2 | ||||
| 1016 | E | 26.5 | Very low | 27.5 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | -155.7 | 160 | -65.8 | -121.1 | -161 | 150.8 | 0 | 0 | 111.6 | |||||
| 1017 | L | 25.6 | Very low | 27.3 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | 70.5 | 149.8 | 164 | -66.4 | 155.7 | 0 | 0 | 0 | 119.8 | ||||
| 1018 | N | 26 | Very low | 27.3 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 70.3 | 34.4 | 164.3 | -62.7 | -8.3 | 0 | 0 | 0 | 121.2 | ||
| 1019 | C | 24 | Very low | 27.1 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | trans | -165 | 101.8 | 145.6 | -107.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1020 | R | 25.2 | Very low | 27.1 | Very low | 234 Ų | 234 | 149.7 Ų | 149.7 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | 172.8 | 133.4 | 156.3 | -105.2 | 165.3 | -177.4 | -173.8 | 1.8 | 113.2 | ||||
| 1021 | R | 26.1 | Very low | 26.9 | Very low | 231 Ų | 231 | 152.4 Ų | 152.4 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | 164.9 | 107.2 | 142.5 | -91 | 154.2 | -167.1 | -159.4 | 4.8 | 107.4 | ||||
| 1022 | H | 27.2 | Very low | 27 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | 93.2 | 144.7 | 70.6 | -83.8 | -22.5 | 0 | 0 | 0 | 112.3 | |||||
| 1023 | C | 24.9 | Very low | 27.4 | Very low | 71 Ų | 71 | 149 Ų | 149 | 48% | 0.48 | 75% | 0.745 | S | S | . | * | cis | 177.6 | 162.7 | -25.9 | -117.9 | 0 | 0 | 0 | 0 | 108.6 | R1034 | C1023-R1034 PolarHBondContact O-NH1 3.27Å; C1023-R1034 PolarHBondContact O-NH2 2.7Å | ||
| 1024 | Q | 27 | Very low | 27.6 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | trans | 65.9 | 147.5 | 151.6 | -76.7 | 159.7 | -7.8 | 0 | 0 | 116 | R1034 | Q1024-R1034 PolarHBondContact O-NH1 3.1Š| ||
| 1025 | F | 25.3 | Very low | 28 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 63% | 0.627 | 74% | 0.741 | S | S | * | * | -143.6 | 147.5 | 60.6 | -107.1 | -36.6 | 0 | 0 | 0 | 116.7 | R1034 | F1025-R1034 HydrophobicContact CE2-CB 4.49Å; F1025-R1034 VanDerWaalsContact CE2-CD 3.48Å; F1025-R1034 HydrophobicContact CE2-CG 3.58Å; F1025-R1034 HydrophobicContact CZ-CG 3.97Å | |||
| 1026 | S | 25.1 | Very low | 28.8 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | -71 | 177.4 | 158.7 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1027 | H | 26.8 | Very low | 30.3 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -53 | 155.4 | 163 | -105.2 | -120.9 | 0 | 0 | 0 | 113.4 | ||
| 1028 | E | 26.4 | Very low | 31.7 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | trans | 29 | 103.5 | 150.3 | -65 | 167.3 | 109.2 | 0 | 0 | 118.7 | ||||
| 1029 | L | 26.2 | Very low | 33.6 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 81% | 0.806 | 68% | 0.681 | S | S | * | * | trans | -173.6 | 131.5 | 138 | -101.7 | 156.5 | 0 | 0 | 0 | 111.7 | ||||
| 1030 | T | 26.6 | Very low | 35.7 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | trans | 50.1 | 108.1 | 165.2 | 49.6 | 0 | 0 | 0 | 0 | 119.6 | T1032 | T1030-T1032 PolarHBondContact O-N 2.88Š| ||
| 1031 | L | 25.5 | Very low | 37.9 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 96% | 0.963 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -85.7 | 86.2 | 179.8 | -70.4 | 156 | 0 | 0 | 0 | 114.2 | ||
| 1032 | T | 33.6 | Very low | 39.8 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -144.5 | -67.9 | 164.4 | 42.3 | 0 | 0 | 0 | 0 | 115.3 | T1030 R1034 | T1030-T1032 PolarHBondContact O-N 2.88Å; T1032-R1034 PolarHBondContact O-N 3.23Å |
| 1033 | D | 36.8 | Very low | 42 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 79% | 0.786 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -84.1 | -4.8 | -150.6 | -72.8 | -73.7 | 0 | 0 | 0 | 117.5 | R1035 | D1033-R1035 PolarHBondContact O-N 2.67Š|
| 1034 | R | 34.7 | Very low | 44.2 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 39% | 0.385 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -82.7 | -3.4 | -165.3 | -100.7 | -106.8 | -175.9 | 165.3 | -3.6 | 117.5 | C1023 Q1024 F1025 T1032 | C1023-R1034 PolarHBondContact O-NH1 3.27Å; C1023-R1034 PolarHBondContact O-NH2 2.7Å; Q1024-R1034 PolarHBondContact O-NH1 3.1Å; F1025-R1034 HydrophobicContact CE2-CB 4.49Å; F1025-R1034 VanDerWaalsContact CE2-CD 3.48Å; F1025-R1034 HydrophobicContact CE2-CG 3.58Å; F1025-R1034 HydrophobicContact CZ-CG 3.97Å; T1032-R1034 PolarHBondContact O-N 3.23Å |
| 1035 | R | 37.6 | Very low | 46.1 | Very low | 209 Ų | 209 | 114 Ų | 114 | 79% | 0.789 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -72.7 | -27.1 | -171.5 | -76.1 | -178.1 | 168.7 | 167.1 | -4.2 | 115.4 | D1033 S1038 | D1033-R1035 PolarHBondContact O-N 2.67Å; R1035-S1038 PolarHBondContact O-OG 3.36Å |
| 1036 | K | 48 | Very low | 48 | Very low | 167 Ų | 167 | 108.4 Ų | 108.4 | 73% | 0.726 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -76 | -44 | -168.3 | -68.4 | -173.4 | 174.6 | -176.4 | 0 | 115.1 | S1038 E1039 E1040 | K1036-S1038 VanDerWaalsContact C-N 3.28Å; K1036-S1038 PolarHBondContact O-N 3.28Å; K1036-E1039 PolarHBondContact O-N 3.29Å; K1036-E1040 PolarHBondContact O-N 2.94Å |
| 1037 | S | 57 | Low | 49.9 | Very low | 75 Ų | 75 | 111.2 Ų | 111.2 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.6 | -25.4 | -171.6 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | W1041 | S1037-W1041 PolarHBondContact O-N 2.95Å |
| 1038 | S | 57 | Low | 51.8 | Low | 38 Ų | 38 | 105.4 Ų | 105.4 | 27% | 0.266 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 175.2 | 31.4 | 0 | 0 | 0 | 0 | 113.2 | I965 R1035 K1036 | I965-S1038 WeakPolarHBondContact CD1-O 3.37Å; R1035-S1038 PolarHBondContact O-OG 3.36Å; K1036-S1038 VanDerWaalsContact C-N 3.28Å; K1036-S1038 PolarHBondContact O-N 3.28Å |
| 1039 | E | 65.8 | Low | 53.7 | Low | 73 Ų | 73 | 99.7 Ų | 99.7 | 34% | 0.341 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -83.1 | -37.9 | -176.9 | -53.8 | -163.2 | 121.7 | 0 | 0 | 110.6 | T961 K1036 W1041 L1042 M1043 V1124 | T961-E1039 WeakPolarHBondContact CB-OE1 3.49Å; T961-E1039 HydrophobicContact CG2-CG 4.06Å; T961-E1039 PolarHBondContact OG1-OE1 3.3Å; K1036-E1039 PolarHBondContact O-N 3.29Å; E1039-W1041 PolarHBondContact O-N 3.26Å; E1039-L1042 PolarHBondContact O-N 2.89Å; E1039-M1043 WeakPolarHBondContact O-CG 3.46Å; E1039-M1043 PolarHBondContact O-N 2.97Å; E1039-V1124 HydrophobicContact CB-CG2 4.2Å |
| 1040 | E | 67.6 | Low | 55.5 | Low | 119 Ų | 119 | 98.9 Ų | 98.9 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.7 | -44.8 | 169.9 | -70.2 | 176.8 | 163.9 | 0 | 0 | 112.2 | K1036 L1042 M1043 N1044 | K1036-E1040 PolarHBondContact O-N 2.94Å; E1040-L1042 VanDerWaalsContact C-N 3.3Å; E1040-L1042 PolarHBondContact O-N 2.99Å; E1040-M1043 PolarHBondContact O-N 3.25Å; E1040-N1044 VanDerWaalsContact O-CB 3.3Å; E1040-N1044 WeakPolarHBondContact O-CB 3.34Å; E1040-N1044 VanDerWaalsContact O-CG 3.22Å; E1040-N1044 PolarHBondContact O-N 3.35Å; E1040-N1044 PolarHBondContact O-ND2 3.23Å |
| 1041 | W | 70.1 | Confident | 57.4 | Low | 128 Ų | 128 | 98.2 Ų | 98.2 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 177.4 | 177.1 | 84 | 0 | 0 | 0 | 112.5 | S1037 E1039 S1045 | S1037-W1041 PolarHBondContact O-N 2.95Å; E1039-W1041 PolarHBondContact O-N 3.26Å; W1041-S1045 PolarHBondContact O-N 3.45Å |
| 1042 | L | 67.7 | Low | 59.5 | Low | 0 Ų | 0 | 91.5 Ų | 91.5 | 0% | 0 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -76.1 | -40 | -176.7 | -135.6 | 163.6 | 0 | 0 | 0 | 111.7 | T961 Y964 I965 R968 E1039 E1040 S1045 L1046 V1124 D1128 | T961-L1042 HydrophobicContact CG2-CD1 4.38Å; Y964-L1042 HydrophobicContact CD1-CD1 3.99Å; Y964-L1042 HydrophobicContact CE1-CD1 4.12Å; I965-L1042 HydrophobicContact CD1-CD1 3.96Å; I965-L1042 HydrophobicContact CG1-CD1 3.52Å; R968-L1042 VanDerWaalsContact NH1-CD2 3.34Å; E1039-L1042 PolarHBondContact O-N 2.89Å; E1040-L1042 VanDerWaalsContact C-N 3.3Å; E1040-L1042 PolarHBondContact O-N 2.99Å; L1042-S1045 WeakPolarHBondContact O-CB 3.49Å; L1042-S1045 PolarHBondContact O-N 3.44Å; L1042-L1046 HydrophobicContact CD2-CD1 4.33Å; L1042-L1046 WeakPolarHBondContact O-CG 3.06Å; L1042-L1046 PolarHBondContact O-N 3.2Å; L1042-L1046 VanDerWaalsContact O-N 3.08Å; L1042-V1124 HydrophobicContact CB-CG1 3.86Å; L1042-V1124 HydrophobicContact CD2-CG1 4.06Å; L1042-V1124 HydrophobicContact CG-CG1 4.42Å; L1042-D1128 HydrophobicContact CD2-CB 3.57Å |
| 1043 | M | 73.2 | Confident | 61.3 | Low | 21 Ų | 21 | 87.4 Ų | 87.4 | 10% | 0.103 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 170.6 | -72.1 | -65.1 | -80.3 | 0 | 0 | 111.8 | E1039 E1040 S1045 L1046 Q1047 L1048 E1050 V1124 | E1039-M1043 WeakPolarHBondContact O-CG 3.46Å; E1039-M1043 PolarHBondContact O-N 2.97Å; E1040-M1043 PolarHBondContact O-N 3.25Å; M1043-S1045 VanDerWaalsContact C-N 3.34Å; M1043-S1045 PolarHBondContact O-N 2.93Å; M1043-L1046 PolarHBondContact O-N 2.41Å; M1043-Q1047 PolarHBondContact O-N 3.05Å; M1043-Q1047 VanDerWaalsContact O-N 3.13Å; M1043-L1048 HydrophobicContact CE-CB 4.37Å; M1043-L1048 PolarHBondContact O-N 3.16Å; M1043-E1050 HydrophobicContact CE-CG 4.24Å; M1043-V1124 HydrophobicContact CG-CG1 3.76Å; M1043-V1124 HydrophobicContact CG-CG2 4.14Å; M1043-V1124 HydrophobicContact SD-CG1 3.6Å; M1043-V1124 HydrophobicContact SD-CG2 4.18Å |
| 1044 | N | 70.9 | Confident | 63.3 | Low | 125 Ų | 125 | 81.2 Ų | 81.2 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 174.9 | -75.4 | -42.6 | 0 | 0 | 0 | 111.9 | E1040 L1046 Q1047 | E1040-N1044 VanDerWaalsContact O-CB 3.3Å; E1040-N1044 WeakPolarHBondContact O-CB 3.34Å; E1040-N1044 VanDerWaalsContact O-CG 3.22Å; E1040-N1044 PolarHBondContact O-N 3.35Å; E1040-N1044 PolarHBondContact O-ND2 3.23Å; N1044-L1046 PolarHBondContact O-N 3.19Å; N1044-Q1047 PolarHBondContact O-N 2.9Å |
| 1045 | S | 66.8 | Low | 65.3 | Low | 55 Ų | 55 | 80.3 Ų | 80.3 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -25.6 | 173.4 | 177.6 | 0 | 0 | 0 | 0 | 113.6 | R968 W1041 L1042 M1043 | R968-S1045 PolarHBondContact NH2-OG 3.1Å; W1041-S1045 PolarHBondContact O-N 3.45Å; L1042-S1045 WeakPolarHBondContact O-CB 3.49Å; L1042-S1045 PolarHBondContact O-N 3.44Å; M1043-S1045 VanDerWaalsContact C-N 3.34Å; M1043-S1045 PolarHBondContact O-N 2.93Å |
| 1046 | L | 64.2 | Low | 67.4 | Low | 27 Ų | 27 | 73.1 Ų | 73.1 | 14% | 0.141 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -88.2 | -11.1 | 177.1 | -72.3 | 175 | 0 | 0 | 0 | 113.4 | L1042 M1043 N1044 L1048 V1124 D1128 L1131 | L1042-L1046 HydrophobicContact CD2-CD1 4.33Å; L1042-L1046 WeakPolarHBondContact O-CG 3.06Å; L1042-L1046 PolarHBondContact O-N 3.2Å; L1042-L1046 VanDerWaalsContact O-N 3.08Å; M1043-L1046 PolarHBondContact O-N 2.41Å; N1044-L1046 PolarHBondContact O-N 3.19Å; L1046-L1048 HydrophobicContact CB-CB 4.38Å; L1046-L1048 HydrophobicContact CB-CD1 4.18Å; L1046-L1048 HydrophobicContact CB-CG 4.17Å; L1046-L1048 HydrophobicContact CD1-CD1 4.48Å; L1046-L1048 PolarHBondContact O-N 3.06Å; L1046-V1124 HydrophobicContact CD1-CG1 4.37Å; L1046-D1128 HydrophobicContact CD1-CB 4.18Å; L1046-D1128 HydrophobicContact CD2-CB 4.35Å; L1046-D1128 WeakPolarHBondContact CD2-OD1 3.24Å; L1046-L1131 HydrophobicContact CD1-CD1 4.42Å; L1046-L1131 HydrophobicContact CD2-CD1 3.86Å |
| 1047 | Q | 66.6 | Low | 69 | Low | 155 Ų | 155 | 65.1 Ų | 65.1 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 31.1 | -171.8 | -54.5 | -179.2 | 6.2 | 0 | 0 | 113.3 | M1043 N1044 | M1043-Q1047 PolarHBondContact O-N 3.05Å; M1043-Q1047 VanDerWaalsContact O-N 3.13Å; N1044-Q1047 PolarHBondContact O-N 2.9Å |
| 1048 | L | 65.9 | Low | 70.2 | Confident | 34 Ų | 34 | 67 Ų | 67 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | trans | -112.1 | 142.3 | 178 | -65.9 | 175.6 | 0 | 0 | 0 | 110.6 | Y895 M1043 L1046 L1053 L1131 | Y895-L1048 HydrophobicContact CE2-CD1 4.21Å; M1043-L1048 HydrophobicContact CE-CB 4.37Å; M1043-L1048 PolarHBondContact O-N 3.16Å; L1046-L1048 HydrophobicContact CB-CB 4.38Å; L1046-L1048 HydrophobicContact CB-CD1 4.18Å; L1046-L1048 HydrophobicContact CB-CG 4.17Å; L1046-L1048 HydrophobicContact CD1-CD1 4.48Å; L1046-L1048 PolarHBondContact O-N 3.06Å; L1048-L1053 HydrophobicContact CD1-CD2 4.12Å; L1048-L1131 HydrophobicContact CD1-CD1 4.15Å | ||
| 1049 | S | 65.2 | Low | 71.5 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | trans | -100.5 | 160.5 | 160.3 | 83.5 | 0 | 0 | 0 | 0 | 110.3 | N1051 D1052 | S1049-N1051 PolarHBondContact O-N 3.15Å; S1049-N1051 VanDerWaalsContact O-N 3.09Å; S1049-N1051 PolarHBondContact OG-N 2.79Å; S1049-D1052 WeakPolarHBondContact CB-OD2 3.21Å; S1049-D1052 PolarHBondContact N-OD2 3.31Å; S1049-D1052 PolarHBondContact O-N 2.81Å; S1049-D1052 PolarHBondContact OG-OD2 3.09Å | ||
| 1050 | E | 64 | Low | 72.2 | Confident | 137 Ų | 137 | 66.4 Ų | 66.4 | 64% | 0.64 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -54.8 | -28.2 | 172.4 | -67.4 | -170.7 | 124.3 | 0 | 0 | 112.5 | M1043 D1052 L1059 | M1043-E1050 HydrophobicContact CE-CG 4.24Å; E1050-D1052 PolarHBondContact O-N 2.59Å; E1050-L1059 HydrophobicContact CG-CD1 4.2Å |
| 1051 | N | 66.7 | Low | 73 | Confident | 113 Ų | 113 | 65 Ų | 65 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -80.3 | -0.2 | -179.8 | -55.1 | -77 | 0 | 0 | 0 | 113.5 | S1049 R1579 | S1049-N1051 PolarHBondContact O-N 3.15Å; S1049-N1051 VanDerWaalsContact O-N 3.09Å; S1049-N1051 PolarHBondContact OG-N 2.79Å; N1051-R1579 PolarHBondContact O-NE 3.04Å; N1051-R1579 PolarHBondContact O-NH2 3.22Å |
| 1052 | D | 69.3 | Low | 73.8 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -111.3 | -1.5 | 178.1 | -58.4 | -63.4 | 0 | 0 | 0 | 112.8 | S1049 E1050 | S1049-D1052 WeakPolarHBondContact CB-OD2 3.21Å; S1049-D1052 PolarHBondContact N-OD2 3.31Å; S1049-D1052 PolarHBondContact O-N 2.81Å; S1049-D1052 PolarHBondContact OG-OD2 3.09Å; E1050-D1052 PolarHBondContact O-N 2.59Å |
| 1053 | L | 73.3 | Confident | 74.8 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -78.4 | 142.8 | 176.5 | -66.6 | 173.1 | 0 | 0 | 0 | 111.6 | Y895 L1048 L1059 L1127 | Y895-L1053 HydrophobicContact CE2-CD2 4.36Å; L1048-L1053 HydrophobicContact CD1-CD2 4.12Å; L1053-L1059 HydrophobicContact CD1-CG 4.1Å; L1053-L1127 HydrophobicContact CD1-CD1 3.85Å; L1053-L1127 HydrophobicContact CD2-CD1 3.76Å; L1053-L1127 HydrophobicContact CD2-CD2 4.26Å; L1053-L1127 HydrophobicContact CG-CD1 4.5Å |
| 1054 | P | 77.5 | Confident | 75.6 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | trans | -59.7 | 146.5 | 168.3 | -21 | 32.2 | 0 | 0 | 0 | 111.6 | Y895 F1056 L1057 K1058 | Y895-P1054 WeakPolarHBondContact O-CG 2.92Å; P1054-F1056 HydrophobicContact CB-CD1 4.02Å; P1054-F1056 HydrophobicContact CB-CE1 3.5Å; P1054-F1056 VanDerWaalsContact CB-CE1 3.5Å; P1054-F1056 HydrophobicContact CB-CE2 4.03Å; P1054-F1056 HydrophobicContact CB-CG 4.49Å; P1054-F1056 HydrophobicContact CB-CZ 3.49Å; P1054-F1056 VanDerWaalsContact CB-CZ 3.49Å; P1054-F1056 HydrophobicContact CG-CZ 4.09Å; P1054-F1056 PolarHBondContact O-N 3.39Å; P1054-F1056 VanDerWaalsContact O-N 3.11Å; P1054-L1057 CarbonylContact O-C 3.58Å; P1054-L1057 PolarHBondContact O-N 3.1Å; P1054-K1058 PolarHBondContact O-N 2.91Å | ||
| 1055 | S | 76.2 | Confident | 76.7 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -56.1 | -33.6 | -175.2 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | L1057 | S1055-L1057 VanDerWaalsContact C-N 3.33Š|
| 1056 | F | 81.9 | Confident | 77.8 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -79.8 | -7.4 | 177 | 57 | -93.6 | 0 | 0 | 0 | 114.8 | L925 P1054 F1063 N1122 | L925-F1056 HydrophobicContact CD2-CB 3.71Å; L925-F1056 HydrophobicContact CD2-CD1 4.31Å; L925-F1056 HydrophobicContact CD2-CD2 3.88Å; L925-F1056 HydrophobicContact CD2-CG 3.7Å; P1054-F1056 HydrophobicContact CB-CD1 4.02Å; P1054-F1056 HydrophobicContact CB-CE1 3.5Å; P1054-F1056 VanDerWaalsContact CB-CE1 3.5Å; P1054-F1056 HydrophobicContact CB-CE2 4.03Å; P1054-F1056 HydrophobicContact CB-CG 4.49Å; P1054-F1056 HydrophobicContact CB-CZ 3.49Å; P1054-F1056 VanDerWaalsContact CB-CZ 3.49Å; P1054-F1056 HydrophobicContact CG-CZ 4.09Å; P1054-F1056 PolarHBondContact O-N 3.39Å; P1054-F1056 VanDerWaalsContact O-N 3.11Å; F1056-F1063 HydrophobicContact CD2-CD2 4.24Å; F1056-F1063 AromaticContact CD2-CE2 3.75Å; F1056-F1063 HydrophobicContact CD2-CE2 3.75Å; F1056-F1063 HydrophobicContact CE2-CE2 4.41Å; F1056-F1063 WeakPolarHBondContact O-CD2 3.33Å; F1056-N1122 PolarHBondContact O-ND2 3.05Å |
| 1057 | L | 82.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -115 | 16 | 176.3 | -78.1 | 174 | 0 | 0 | 0 | 113.1 | Y895 P1054 S1055 L1059 F1063 N1122 F1126 L1127 I1130 | Y895-L1057 HydrophobicContact CD2-CD1 4.27Å; P1054-L1057 CarbonylContact O-C 3.58Å; P1054-L1057 PolarHBondContact O-N 3.1Å; S1055-L1057 VanDerWaalsContact C-N 3.33Å; L1057-L1059 PolarHBondContact O-N 2.84Å; L1057-F1063 HydrophobicContact CD2-CB 4.4Å; L1057-F1063 HydrophobicContact CD2-CD1 4.14Å; L1057-F1063 HydrophobicContact CD2-CD2 4.02Å; L1057-F1063 HydrophobicContact CD2-CE1 4.38Å; L1057-F1063 HydrophobicContact CD2-CE2 4.28Å; L1057-F1063 HydrophobicContact CD2-CG 3.94Å; L1057-F1063 HydrophobicContact CD2-CZ 4.44Å; L1057-N1122 WeakPolarHBondContact CA-ND2 3.33Å; L1057-N1122 WeakPolarHBondContact CD2-OD1 3.42Å; L1057-F1126 HydrophobicContact CD2-CE1 3.98Å; L1057-L1127 HydrophobicContact CB-CD2 4.18Å; L1057-L1127 HydrophobicContact CD1-CD2 4.43Å; L1057-L1127 HydrophobicContact CD2-CD2 4.29Å; L1057-I1130 HydrophobicContact CD1-CD1 4.35Å |
| 1058 | K | 81.7 | Confident | 80.2 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 50% | 0.496 | 28% | 0.279 | S | S | . | . | trans | -60.4 | 134.3 | 175.6 | -179.6 | 172.1 | 158 | -136.3 | 0 | 111.2 | P1054 E1061 N1122 | P1054-K1058 PolarHBondContact O-N 2.91Å; K1058-E1061 HydrophobicContact CB-CG 4.46Å; K1058-E1061 WeakPolarHBondContact CD-OE1 3.38Å; K1058-E1061 WeakPolarHBondContact CE-OE1 3.35Å; K1058-E1061 IonicContact NZ-OE1 3.87Å; K1058-E1061 PolarHBondContact NZ-OE1 2.8Å; K1058-E1061 PolarHBondContact O-N 2.84Å; K1058-N1122 WeakPolarHBondContact O-CB 3.24Å; K1058-N1122 PolarHBondContact O-ND2 3.08Å | ||
| 1059 | L | 84 | Confident | 81.2 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 138.6 | -176.1 | -66.9 | 177 | 0 | 0 | 0 | 112 | E1050 L1053 L1057 E1061 N1122 V1124 L1127 | E1050-L1059 HydrophobicContact CG-CD1 4.2Å; L1053-L1059 HydrophobicContact CD1-CG 4.1Å; L1057-L1059 PolarHBondContact O-N 2.84Å; L1059-E1061 PolarHBondContact O-N 2.68Å; L1059-N1122 WeakPolarHBondContact CA-O 3.44Å; L1059-N1122 WeakPolarHBondContact CD2-O 3.29Å; L1059-V1124 HydrophobicContact CD1-CG2 3.98Å; L1059-V1124 HydrophobicContact CD2-CG2 4.06Å; L1059-L1127 HydrophobicContact CD2-CD1 3.67Å |
| 1060 | G | 81 | Confident | 82.3 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | -12.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N1122 | G1060-N1122 PolarHBondContact N-O 3.48Š|
| 1061 | E | 85.1 | Confident | 83.3 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -81.6 | 155.6 | 173.7 | -61.1 | -165.9 | -165.3 | 0 | 0 | 111.7 | K1058 L1059 F1063 N1122 | K1058-E1061 HydrophobicContact CB-CG 4.46Å; K1058-E1061 WeakPolarHBondContact CD-OE1 3.38Å; K1058-E1061 WeakPolarHBondContact CE-OE1 3.35Å; K1058-E1061 IonicContact NZ-OE1 3.87Å; K1058-E1061 PolarHBondContact NZ-OE1 2.8Å; K1058-E1061 PolarHBondContact O-N 2.84Å; L1059-E1061 PolarHBondContact O-N 2.68Å; E1061-F1063 PolarHBondContact O-N 2.71Å; E1061-N1122 WeakPolarHBondContact O-CB 3.31Å; E1061-N1122 PolarHBondContact O-N 2.86Å; E1061-N1122 PolarHBondContact O-ND2 2.9Å |
| 1062 | I | 86 | Confident | 84 | Confident | 97 Ų | 97 | 41.1 Ų | 41.1 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108.9 | -179.3 | -61.8 | 169.4 | 0 | 0 | 0 | 108.9 | K1064 K1119 V1120 I1121 | I1062-K1064 HydrophobicContact CG2-CG 4.41Å; I1062-K1119 HydrophobicContact CG2-CD 4.46Å; I1062-K1119 HydrophobicContact CG2-CG 3.6Å; I1062-V1120 CarbonylContact C-O 3.13Å; I1062-V1120 WeakPolarHBondContact CA-O 3.19Å; I1062-I1121 HydrophobicContact CG1-CG1 4.42Å |
| 1063 | F | 89.2 | Confident | 84.7 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 147 | 168.8 | -176.2 | -111.2 | 0 | 0 | 0 | 110.3 | L894 P923 L925 F1056 L1057 E1061 F1065 V1120 N1122 F1126 | L894-F1063 HydrophobicContact CB-CE1 4.13Å; L894-F1063 HydrophobicContact CB-CZ 4.21Å; L894-F1063 HydrophobicContact CD1-CE1 4.23Å; L894-F1063 HydrophobicContact CD2-CE1 4.08Å; L894-F1063 HydrophobicContact CD2-CZ 4.09Å; L894-F1063 HydrophobicContact CG-CE1 4.38Å; P923-F1063 HydrophobicContact CB-CE2 4.25Å; P923-F1063 HydrophobicContact CB-CZ 3.88Å; L925-F1063 HydrophobicContact CD2-CE2 4.05Å; F1056-F1063 HydrophobicContact CD2-CD2 4.24Å; F1056-F1063 AromaticContact CD2-CE2 3.75Å; F1056-F1063 HydrophobicContact CD2-CE2 3.75Å; F1056-F1063 HydrophobicContact CE2-CE2 4.41Å; F1056-F1063 WeakPolarHBondContact O-CD2 3.33Å; L1057-F1063 HydrophobicContact CD2-CB 4.4Å; L1057-F1063 HydrophobicContact CD2-CD1 4.14Å; L1057-F1063 HydrophobicContact CD2-CD2 4.02Å; L1057-F1063 HydrophobicContact CD2-CE1 4.38Å; L1057-F1063 HydrophobicContact CD2-CE2 4.28Å; L1057-F1063 HydrophobicContact CD2-CG 3.94Å; L1057-F1063 HydrophobicContact CD2-CZ 4.44Å; E1061-F1063 PolarHBondContact O-N 2.71Å; F1063-F1065 AromaticContact CD1-CD1 3.93Å; F1063-F1065 HydrophobicContact CD1-CD1 3.93Å; F1063-F1065 HydrophobicContact CE1-CB 4.02Å; F1063-F1065 AromaticContact CE1-CD1 3.89Å; F1063-F1065 HydrophobicContact CE1-CD1 3.89Å; F1063-F1065 HydrophobicContact CE1-CG 4.32Å; F1063-V1120 HydrophobicContact CB-CG1 4.13Å; F1063-V1120 HydrophobicContact CD1-CG1 4.16Å; F1063-V1120 PolarHBondContact N-O 3.4Å; F1063-V1120 PolarHBondContact O-N 3.26Å; F1063-N1122 WeakPolarHBondContact CB-OD1 3.25Å; F1063-F1126 AromaticContact CD1-CE1 3.85Å; F1063-F1126 HydrophobicContact CD1-CE1 3.85Å; F1063-F1126 AromaticContact CD1-CZ 3.89Å; F1063-F1126 HydrophobicContact CD1-CZ 3.89Å; F1063-F1126 HydrophobicContact CE1-CE1 4.48Å; F1063-F1126 HydrophobicContact CE1-CZ 4.28Å |
| 1064 | K | 91 | Very high | 84.8 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 18% | 0.183 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.2 | 177.9 | -70.9 | -172.7 | 171.1 | -170.3 | 0 | 110.1 | I924 E954 I1062 F1118 | I924-K1064 HydrophobicContact CB-CB 3.81Å; I924-K1064 HydrophobicContact CD1-CB 4.33Å; I924-K1064 HydrophobicContact CG2-CB 4.42Å; I924-K1064 PolarHBondContact N-O 3.2Å; E954-K1064 IonicContact OE1-NZ 2.69Å; E954-K1064 PolarHBondContact OE1-NZ 2.87Å; E954-K1064 WeakPolarHBondContact OE2-CE 3.37Å; E954-K1064 IonicContact OE2-NZ 2.81Å; E954-K1064 PolarHBondContact OE2-NZ 2.75Å; I1062-K1064 HydrophobicContact CG2-CG 4.41Å; K1064-F1118 WeakPolarHBondContact CA-O 3.44Å |
| 1065 | F | 92 | Very high | 84.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 165.3 | 175.7 | 64.2 | -83.2 | 0 | 0 | 0 | 110.9 | L894 Q922 F1063 I1067 F1088 F1118 V1120 F1126 | L894-F1065 HydrophobicContact CD1-CB 4.3Å; L894-F1065 HydrophobicContact CD1-CD1 4.23Å; L894-F1065 HydrophobicContact CD1-CD2 4Å; L894-F1065 HydrophobicContact CD1-CE2 4.38Å; L894-F1065 HydrophobicContact CD1-CG 3.92Å; L894-F1065 HydrophobicContact CD2-CB 3.75Å; L894-F1065 HydrophobicContact CD2-CG 4.28Å; Q922-F1065 CarbonylContact O-C 3.52Å; Q922-F1065 VanDerWaalsContact O-CA 3.29Å; Q922-F1065 WeakPolarHBondContact O-CA 3.42Å; Q922-F1065 WeakPolarHBondContact O-CB 3.24Å; F1063-F1065 AromaticContact CD1-CD1 3.93Å; F1063-F1065 HydrophobicContact CD1-CD1 3.93Å; F1063-F1065 HydrophobicContact CE1-CB 4.02Å; F1063-F1065 AromaticContact CE1-CD1 3.89Å; F1063-F1065 HydrophobicContact CE1-CD1 3.89Å; F1063-F1065 HydrophobicContact CE1-CG 4.32Å; F1065-I1067 HydrophobicContact CD2-CG1 4.24Å; F1065-I1067 HydrophobicContact CE2-CD1 4.16Å; F1065-I1067 HydrophobicContact CE2-CG1 4.18Å; F1065-F1088 HydrophobicContact CZ-CZ 4.24Å; F1065-F1118 HydrophobicContact CD1-CB 4.17Å; F1065-F1118 HydrophobicContact CD2-CB 4.2Å; F1065-F1118 HydrophobicContact CD2-CD2 4.22Å; F1065-F1118 HydrophobicContact CE1-CB 3.76Å; F1065-F1118 HydrophobicContact CE2-CB 3.8Å; F1065-F1118 AromaticContact CE2-CD2 3.64Å; F1065-F1118 HydrophobicContact CE2-CD2 3.64Å; F1065-F1118 HydrophobicContact CE2-CG 4.02Å; F1065-F1118 HydrophobicContact CG-CB 4.38Å; F1065-F1118 HydrophobicContact CZ-CB 3.56Å; F1065-F1118 HydrophobicContact CZ-CD2 4.11Å; F1065-F1118 HydrophobicContact CZ-CG 4.02Å; F1065-F1118 PolarHBondContact N-O 3.5Å; F1065-F1118 PolarHBondContact O-N 2.93Å; F1065-V1120 HydrophobicContact CD1-CG1 4.35Å; F1065-V1120 HydrophobicContact CE1-CG1 3.92Å; F1065-F1126 HydrophobicContact CE1-CE2 4.29Å; F1065-F1126 HydrophobicContact CE1-CZ 4.24Å |
| 1066 | R | 91.3 | Very high | 84.4 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 29% | 0.287 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.2 | 179.6 | -173.7 | -177.6 | -65.8 | 147.8 | -9.4 | 109.9 | V921 Q922 I924 N1068 S1115 Q1116 N1117 | V921-R1066 WeakPolarHBondContact CA-O 3.36Å; Q922-R1066 HydrophobicContact CB-CB 4.37Å; Q922-R1066 PolarHBondContact N-O 2.92Å; Q922-R1066 PolarHBondContact O-N 2.76Å; I924-R1066 HydrophobicContact CD1-CB 4.2Å; I924-R1066 HydrophobicContact CG1-CB 4.36Å; R1066-N1068 WeakPolarHBondContact CD-OD1 3.45Å; R1066-N1068 VanDerWaalsContact CG-OD1 3.27Å; R1066-N1068 WeakPolarHBondContact CG-OD1 2.99Å; R1066-S1115 WeakPolarHBondContact CD-OG 3.27Å; R1066-Q1116 WeakPolarHBondContact CA-O 3.42Å; R1066-N1117 PolarHBondContact NE-OD1 3.46Å; R1066-N1117 PolarHBondContact NH2-OD1 3.49Å |
| 1067 | I | 90.7 | Very high | 83.7 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.2 | 167.4 | -57 | -172.2 | 0 | 0 | 0 | 108 | I919 V921 F1065 Y1086 S1115 Q1116 F1118 L1135 F1137 | I919-I1067 HydrophobicContact CG2-CG2 3.76Å; V921-I1067 HydrophobicContact CG2-CG1 4.46Å; F1065-I1067 HydrophobicContact CD2-CG1 4.24Å; F1065-I1067 HydrophobicContact CE2-CD1 4.16Å; F1065-I1067 HydrophobicContact CE2-CG1 4.18Å; I1067-Y1086 HydrophobicContact CD1-CE2 4.45Å; I1067-S1115 WeakPolarHBondContact O-CA 3.27Å; I1067-Q1116 PolarHBondContact N-O 3.17Å; I1067-Q1116 PolarHBondContact O-N 2.68Å; I1067-F1118 HydrophobicContact CB-CE2 4.31Å; I1067-F1118 HydrophobicContact CD1-CD2 4.27Å; I1067-F1118 HydrophobicContact CD1-CE2 3.9Å; I1067-F1118 HydrophobicContact CG1-CD2 4.14Å; I1067-F1118 HydrophobicContact CG1-CE2 4.02Å; I1067-L1135 HydrophobicContact CD1-CD2 3.35Å; I1067-F1137 HydrophobicContact CG2-CZ 4.2Å |
| 1068 | N | 89.1 | Confident | 83.1 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112.9 | 176.3 | -64 | -25.7 | 0 | 0 | 0 | 109.1 | I919 E920 R1066 L1070 Q1114 S1115 | I919-N1068 CarbonylContact C-O 3.51Å; I919-N1068 WeakPolarHBondContact CA-O 3.5Å; I919-N1068 WeakPolarHBondContact CG2-O 3.08Å; E920-N1068 HydrophobicContact CB-CB 4.17Å; E920-N1068 PolarHBondContact N-O 3.48Å; E920-N1068 PolarHBondContact O-N 3.05Å; E920-N1068 PolarHBondContact OE2-ND2 2.67Å; R1066-N1068 WeakPolarHBondContact CD-OD1 3.45Å; R1066-N1068 VanDerWaalsContact CG-OD1 3.27Å; R1066-N1068 WeakPolarHBondContact CG-OD1 2.99Å; N1068-L1070 HydrophobicContact CB-CD2 3.8Å; N1068-L1070 PolarHBondContact O-N 3Å; N1068-Q1114 CarbonylContact C-O 3.48Å; N1068-Q1114 WeakPolarHBondContact CA-O 3.48Å; N1068-S1115 VanDerWaalsContact OD1-CB 3.3Å; N1068-S1115 WeakPolarHBondContact OD1-CB 3.42Å |
| 1069 | I | 88.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 99.2 | 168.9 | -57.3 | 174.4 | 0 | 0 | 0 | 106.8 | L917 Y1086 T1098 I1112 M1113 Q1114 F1137 | L917-I1069 HydrophobicContact CD1-CG2 4.35Å; L917-I1069 HydrophobicContact CD2-CG2 3.98Å; L917-I1069 HydrophobicContact CG-CG2 4.11Å; I1069-Y1086 HydrophobicContact CD1-CD1 3.98Å; I1069-Y1086 HydrophobicContact CD1-CE1 3.89Å; I1069-T1098 HydrophobicContact CD1-CG2 3.69Å; I1069-I1112 HydrophobicContact CB-CG2 4.46Å; I1069-I1112 HydrophobicContact CG2-CB 4.06Å; I1069-I1112 HydrophobicContact CG2-CD1 4.09Å; I1069-I1112 HydrophobicContact CG2-CG2 4.02Å; I1069-M1113 CarbonylContact O-C 3.5Å; I1069-M1113 VanDerWaalsContact O-CA 3.28Å; I1069-M1113 WeakPolarHBondContact O-CA 3.36Å; I1069-M1113 PolarHBondContact O-N 3.18Å; I1069-Q1114 PolarHBondContact N-O 2.73Å; I1069-Q1114 PolarHBondContact O-N 3.39Å; I1069-F1137 HydrophobicContact CD1-CD1 4.4Å; I1069-F1137 HydrophobicContact CD1-CE1 4.03Å; I1069-F1137 HydrophobicContact CG1-CE1 4.21Å |
| 1070 | L | 87.3 | Confident | 82.2 | Confident | 60 Ų | 60 | 43 Ų | 43 | 31% | 0.314 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -61.7 | -169 | -55.1 | 175.8 | 0 | 0 | 0 | 111.1 | T901 N918 E920 N1068 I1112 M1113 | T901-L1070 HydrophobicContact CG2-CD1 3.92Å; N918-L1070 HydrophobicContact CB-CB 4.48Å; N918-L1070 WeakPolarHBondContact O-CB 3.36Å; N918-L1070 PolarHBondContact O-N 3.31Å; E920-L1070 HydrophobicContact CB-CD1 4.18Å; E920-L1070 HydrophobicContact CB-CG 4.47Å; N1068-L1070 HydrophobicContact CB-CD2 3.8Å; N1068-L1070 PolarHBondContact O-N 3Å; L1070-I1112 PolarHBondContact O-N 2.71Å; L1070-M1113 PolarHBondContact O-N 3.29Å; L1070-M1113 VanDerWaalsContact O-N 3.17Å |
| 1071 | N | 86 | Confident | 82.2 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 164.8 | 177.8 | 60.4 | 50.9 | 0 | 0 | 0 | 112.3 | N918 V1110 N1111 | N918-N1071 PolarHBondContact N-O 3.04Å; N918-N1071 PolarHBondContact ND2-OD1 3.42Å; N1071-V1110 CarbonylContact C-O 3.53Å; N1071-V1110 WeakPolarHBondContact CA-O 3.35Å; N1071-V1110 WeakPolarHBondContact CB-O 3.37Å; N1071-N1111 WeakPolarHBondContact CB-OD1 3.36Å |
| 1072 | A | 81.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I916 L917 F1075 G1109 V1110 I1112 | I916-A1072 CarbonylContact O-C 3.59Å; I916-A1072 WeakPolarHBondContact O-CA 3.41Å; L917-A1072 HydrophobicContact CD1-CB 3.59Å; A1072-F1075 HydrophobicContact CB-CE2 3.52Å; A1072-F1075 HydrophobicContact CB-CZ 3.58Å; A1072-G1109 CarbonylContact O-C 3.52Å; A1072-G1109 WeakPolarHBondContact O-CA 3.48Å; A1072-V1110 PolarHBondContact N-O 3.12Å; A1072-V1110 PolarHBondContact O-N 3.47Å; A1072-I1112 HydrophobicContact CB-CD1 3.83Å; A1072-I1112 HydrophobicContact CB-CG1 4.44Å |
| 1073 | K | 82.6 | Confident | 82.2 | Confident | 60 Ų | 60 | 35.2 Ų | 35.2 | 26% | 0.261 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 157.3 | -172.2 | -63.1 | -163.4 | 167 | -125.1 | 0 | 112.9 | G915 I916 D1108 | G915-K1073 CarbonylContact C-O 3.59Å; G915-K1073 VanDerWaalsContact CA-O 3.26Å; G915-K1073 WeakPolarHBondContact CA-O 3.2Å; I916-K1073 PolarHBondContact N-O 3.49Å; I916-K1073 PolarHBondContact O-N 2.89Å; K1073-D1108 WeakPolarHBondContact CD-O 3.44Å; K1073-D1108 WeakPolarHBondContact CE-O 3.3Å; K1073-D1108 WeakPolarHBondContact CG-O 3.45Å; K1073-D1108 PolarHBondContact NZ-O 3.39Å; K1073-D1108 IonicContact NZ-OD2 3.5Å; K1073-D1108 PolarHBondContact NZ-OD2 3.45Å |
| 1074 | K | 75.6 | Confident | 82.2 | Confident | 140 Ų | 140 | 34.9 Ų | 34.9 | 61% | 0.609 | 17% | 0.173 | S | C | * | . | trans | 63.5 | 41.1 | 170.4 | -52.4 | -171.9 | 176.4 | -168.3 | 0 | 115.6 | T914 I916 | T914-K1074 VanDerWaalsContact O-O 3.05Å; I916-K1074 HydrophobicContact CD1-CD 4.24Å | ||
| 1075 | F | 75.9 | Confident | 82.1 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | trans | -80.8 | 160.1 | 169.7 | -56.9 | -46.4 | 0 | 0 | 0 | 111.7 | I884 L906 T914 A1072 V1082 Y1103 V1139 | I884-F1075 HydrophobicContact CD1-CD1 4.28Å; I884-F1075 HydrophobicContact CD1-CD2 4.46Å; I884-F1075 HydrophobicContact CD1-CE1 4.48Å; I884-F1075 HydrophobicContact CD1-CG 4.26Å; I884-F1075 HydrophobicContact CG2-CD1 3.61Å; I884-F1075 HydrophobicContact CG2-CE1 3.86Å; I884-F1075 HydrophobicContact CG2-CG 4.46Å; L906-F1075 HydrophobicContact CD1-CE1 3.59Å; L906-F1075 HydrophobicContact CD1-CZ 3.95Å; T914-F1075 WeakPolarHBondContact O-CD1 3.43Å; A1072-F1075 HydrophobicContact CB-CE2 3.52Å; A1072-F1075 HydrophobicContact CB-CZ 3.58Å; F1075-V1082 HydrophobicContact CD2-CG1 4.46Å; F1075-V1082 HydrophobicContact CD2-CG2 4.12Å; F1075-V1082 HydrophobicContact CE2-CG1 3.8Å; F1075-V1082 HydrophobicContact CE2-CG2 4.27Å; F1075-V1082 HydrophobicContact CZ-CG1 4.27Å; F1075-Y1103 HydrophobicContact CB-CD2 4.47Å; F1075-Y1103 HydrophobicContact CB-CE1 4.13Å; F1075-Y1103 HydrophobicContact CB-CE2 3.88Å; F1075-Y1103 AromaticContact CD2-CD2 3.69Å; F1075-Y1103 HydrophobicContact CD2-CD2 3.69Å; F1075-Y1103 AromaticContact CD2-CE2 3.48Å; F1075-Y1103 HydrophobicContact CD2-CE2 3.48Å; F1075-Y1103 VanDerWaalsContact CD2-CE2 3.48Å; F1075-Y1103 HydrophobicContact CE2-CE2 4.47Å; F1075-Y1103 HydrophobicContact CG-CE2 4.08Å; F1075-Y1103 PolarHBondContact N-OH 3.11Å; F1075-Y1103 VanDerWaalsContact N-OH 3.1Å; F1075-Y1103 PolarHBondContact O-OH 3.16Å; F1075-Y1103 VanDerWaalsContact O-OH 3.09Å; F1075-V1139 HydrophobicContact CE1-CG1 4.2Å; F1075-V1139 HydrophobicContact CZ-CG1 3.79Å | ||
| 1076 | N | 68.8 | Low | 82 | Confident | 70 Ų | 70 | 35.9 Ų | 35.9 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | trans | -65.9 | 140.7 | 174.1 | -176.9 | 16 | 0 | 0 | 0 | 110.9 | S1078 F1079 | N1076-S1078 PolarHBondContact ND2-OG 3.34Å; N1076-S1078 PolarHBondContact O-N 2.95Å; N1076-F1079 HydrophobicContact CB-CD2 4.05Å; N1076-F1079 HydrophobicContact CB-CE2 4.04Å; N1076-F1079 WeakPolarHBondContact O-CD2 3.25Å; N1076-F1079 PolarHBondContact O-N 3.13Å; N1076-F1079 VanDerWaalsContact O-N 3.15Å | ||
| 1077 | S | 68.1 | Low | 81.9 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 33% | 0.329 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -1.6 | -178.9 | 75.7 | 0 | 0 | 0 | 0 | 115.7 | F1079 N1105 K1146 | S1077-F1079 VanDerWaalsContact C-N 3.34Å; S1077-N1105 VanDerWaalsContact CA-OD1 3.22Å; S1077-N1105 WeakPolarHBondContact CA-OD1 3.27Å; S1077-N1105 WeakPolarHBondContact CB-OD1 3.34Å; S1077-K1146 WeakPolarHBondContact O-CE 3.46Å; S1077-K1146 PolarHBondContact O-NZ 2.96Å; S1077-K1146 VanDerWaalsContact O-NZ 3.1Å; S1077-K1146 PolarHBondContact OG-NZ 2.88Å |
| 1078 | S | 68.8 | Low | 81.8 | Confident | 13 Ų | 13 | 35.4 Ų | 35.4 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -7 | 171 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | N1076 F1143 V1144 | N1076-S1078 PolarHBondContact ND2-OG 3.34Å; N1076-S1078 PolarHBondContact O-N 2.95Å; S1078-F1143 VanDerWaalsContact CB-CE2 3.49Å; S1078-V1144 PolarHBondContact O-N 3.01Å |
| 1079 | F | 74.6 | Confident | 81.5 | Confident | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.096 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.3 | 178 | -64.3 | -69.9 | 0 | 0 | 0 | 111.6 | H882 I884 N1076 S1077 Y1103 H1142 F1143 | H882-F1079 HydrophobicContact CB-CE1 4.38Å; I884-F1079 HydrophobicContact CD1-CD1 4.3Å; I884-F1079 HydrophobicContact CD1-CD2 4.02Å; I884-F1079 HydrophobicContact CD1-CE2 4.32Å; I884-F1079 HydrophobicContact CD1-CG 4.02Å; I884-F1079 HydrophobicContact CG1-CD1 4.2Å; I884-F1079 HydrophobicContact CG1-CD2 4.02Å; I884-F1079 HydrophobicContact CG1-CE1 3.97Å; I884-F1079 HydrophobicContact CG1-CE2 3.79Å; I884-F1079 HydrophobicContact CG1-CG 4.23Å; I884-F1079 HydrophobicContact CG1-CZ 3.76Å; N1076-F1079 HydrophobicContact CB-CD2 4.05Å; N1076-F1079 HydrophobicContact CB-CE2 4.04Å; N1076-F1079 WeakPolarHBondContact O-CD2 3.25Å; N1076-F1079 PolarHBondContact O-N 3.13Å; N1076-F1079 VanDerWaalsContact O-N 3.15Å; S1077-F1079 VanDerWaalsContact C-N 3.34Å; F1079-Y1103 WeakPolarHBondContact O-CD1 3.41Å; F1079-H1142 CarbonylContact C-O 3.53Å; F1079-H1142 VanDerWaalsContact CA-O 3.23Å; F1079-H1142 WeakPolarHBondContact CA-O 3.24Å; F1079-F1143 HydrophobicContact CD1-CB 4.23Å; F1079-F1143 HydrophobicContact CD1-CD2 4.29Å; F1079-F1143 HydrophobicContact CE1-CB 3.96Å; F1079-F1143 AromaticContact CE1-CD2 3.81Å; F1079-F1143 HydrophobicContact CE1-CD2 3.81Å; F1079-F1143 HydrophobicContact CE1-CG 4.38Å; F1079-F1143 HydrophobicContact CZ-CD2 4.05Å |
| 1080 | T | 74 | Confident | 81.1 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 33% | 0.325 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -33.3 | 179.1 | 58.4 | 0 | 0 | 0 | 0 | 114 | Y1103 H1142 V1144 | T1080-Y1103 PolarHBondContact O-N 3.44Å; T1080-H1142 PolarHBondContact N-O 2.85Å; T1080-H1142 WeakPolarHBondContact OG1-CB 3.42Å; T1080-H1142 PolarHBondContact OG1-ND1 3.25Å; T1080-V1144 HydrophobicContact CG2-CB 4.43Å; T1080-V1144 HydrophobicContact CG2-CG2 3.63Å |
| 1081 | D | 80 | Confident | 80.6 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.8 | -172.7 | -56 | -87.1 | 0 | 0 | 0 | 109.2 | Y881 G1141 H1142 | Y881-D1081 HydrophobicContact CE1-CB 4.18Å; D1081-G1141 CarbonylContact O-C 3.49Å; D1081-G1141 WeakPolarHBondContact O-CA 3.41Å; D1081-H1142 HydrophobicContact CB-CB 3.97Å; D1081-H1142 PolarHBondContact O-N 3.49Å |
| 1082 | V | 83.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140.8 | -170.3 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | I884 F1075 V1101 V1139 Y1140 | I884-V1082 HydrophobicContact CD1-CG1 4.15Å; I884-V1082 HydrophobicContact CD1-CG2 3.85Å; F1075-V1082 HydrophobicContact CD2-CG1 4.46Å; F1075-V1082 HydrophobicContact CD2-CG2 4.12Å; F1075-V1082 HydrophobicContact CE2-CG1 3.8Å; F1075-V1082 HydrophobicContact CE2-CG2 4.27Å; F1075-V1082 HydrophobicContact CZ-CG1 4.27Å; V1082-V1101 PolarHBondContact N-O 2.89Å; V1082-V1101 PolarHBondContact O-N 3.11Å; V1082-V1139 HydrophobicContact CG1-CG1 3.54Å; V1082-Y1140 VanDerWaalsContact CA-O 3.32Å; V1082-Y1140 WeakPolarHBondContact CA-O 3.33Å; V1082-Y1140 WeakPolarHBondContact CG1-O 3.27Å |
| 1083 | F | 88.1 | Confident | 79 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 13% | 0.132 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 162.9 | 167.8 | 70.6 | -89 | 0 | 0 | 0 | 111.6 | Y881 Q1085 T1100 V1139 Y1140 | Y881-F1083 AromaticContact CD1-CD1 3.85Å; Y881-F1083 HydrophobicContact CD1-CD1 3.85Å; Y881-F1083 AromaticContact CD1-CE1 3.58Å; Y881-F1083 HydrophobicContact CD1-CE1 3.58Å; Y881-F1083 AromaticContact CE1-CD1 3.99Å; Y881-F1083 HydrophobicContact CE1-CD1 3.99Å; Y881-F1083 HydrophobicContact CE1-CE1 4.12Å; Y881-F1083 AromaticContact CG-CE1 3.94Å; Y881-F1083 HydrophobicContact CG-CE1 3.94Å; F1083-Q1085 HydrophobicContact CD2-CG 4.24Å; F1083-Q1085 HydrophobicContact CE2-CG 3.96Å; F1083-T1100 HydrophobicContact CB-CG2 3.94Å; F1083-T1100 HydrophobicContact CD1-CG2 3.77Å; F1083-T1100 HydrophobicContact CG-CG2 4.2Å; F1083-V1139 WeakPolarHBondContact O-CA 3.49Å; F1083-Y1140 HydrophobicContact CD2-CD2 4.26Å; F1083-Y1140 VanDerWaalsContact CE1-CB 3.48Å; F1083-Y1140 HydrophobicContact CE1-CG 4.24Å; F1083-Y1140 AromaticContact CE2-CD2 3.58Å; F1083-Y1140 HydrophobicContact CE2-CD2 3.58Å; F1083-Y1140 HydrophobicContact CE2-CE2 4.38Å; F1083-Y1140 AromaticContact CE2-CG 3.9Å; F1083-Y1140 HydrophobicContact CE2-CG 3.9Å; F1083-Y1140 VanDerWaalsContact CZ-CB 3.43Å; F1083-Y1140 HydrophobicContact CZ-CD1 4.42Å; F1083-Y1140 AromaticContact CZ-CD2 3.86Å; F1083-Y1140 HydrophobicContact CZ-CD2 3.86Å; F1083-Y1140 AromaticContact CZ-CG 3.67Å; F1083-Y1140 HydrophobicContact CZ-CG 3.67Å; F1083-Y1140 PolarHBondContact N-O 3.19Å; F1083-Y1140 PolarHBondContact O-N 3.09Å |
| 1084 | C | 88.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.1 | 178.1 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | S1097 T1098 D1138 V1139 | C1084-S1097 CarbonylContact O-C 3.58Å; C1084-S1097 WeakPolarHBondContact O-CA 3.31Å; C1084-T1098 HydrophobicContact CB-CG2 4.03Å; C1084-T1098 PolarHBondContact N-OG1 2.93Å; C1084-T1098 PolarHBondContact O-N 3.45Å; C1084-D1138 CarbonylContact C-O 3.59Å; C1084-D1138 WeakPolarHBondContact CA-O 3.48Å; C1084-D1138 PolarHBondContact SG-O 2.99Å; C1084-D1138 VanDerWaalsContact SG-O 3.38Å; C1084-V1139 HydrophobicContact CB-CG2 4.08Å |
| 1085 | Q | 89 | Confident | 78.9 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 28% | 0.276 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.4 | 168.7 | -73.5 | 179.9 | -6.7 | 0 | 0 | 109.9 | F1083 V1095 F1096 F1137 D1138 Y1140 | F1083-Q1085 HydrophobicContact CD2-CG 4.24Å; F1083-Q1085 HydrophobicContact CE2-CG 3.96Å; Q1085-V1095 HydrophobicContact CB-CG1 3.76Å; Q1085-V1095 HydrophobicContact CG-CG1 4.01Å; Q1085-F1096 CarbonylContact C-O 3.54Å; Q1085-F1096 VanDerWaalsContact CA-O 3.26Å; Q1085-F1096 WeakPolarHBondContact CA-O 3.4Å; Q1085-F1137 CarbonylContact O-C 3.59Å; Q1085-F1137 WeakPolarHBondContact O-CA 3.25Å; Q1085-D1138 PolarHBondContact N-O 3.16Å; Q1085-D1138 PolarHBondContact O-N 2.87Å; Q1085-D1138 VanDerWaalsContact O-O 3.14Å; Q1085-Y1140 HydrophobicContact CB-CE2 4.36Å; Q1085-Y1140 HydrophobicContact CG-CE2 4.38Å |
| 1086 | Y | 90.8 | Very high | 79.4 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 149.6 | 175.2 | 63.3 | -83.5 | 0 | 0 | 0 | 112.6 | I1067 I1069 F1096 Q1116 F1118 L1135 E1136 F1137 | I1067-Y1086 HydrophobicContact CD1-CE2 4.45Å; I1069-Y1086 HydrophobicContact CD1-CD1 3.98Å; I1069-Y1086 HydrophobicContact CD1-CE1 3.89Å; Y1086-F1096 HydrophobicContact CD1-CB 4.12Å; Y1086-F1096 WeakPolarHBondContact CD1-O 3.28Å; Y1086-F1096 HydrophobicContact CD2-CB 4.1Å; Y1086-F1096 AromaticContact CD2-CD2 3.95Å; Y1086-F1096 HydrophobicContact CD2-CD2 3.95Å; Y1086-F1096 HydrophobicContact CD2-CG 4.45Å; Y1086-F1096 HydrophobicContact CE1-CB 3.7Å; Y1086-F1096 HydrophobicContact CE2-CB 3.69Å; Y1086-F1096 AromaticContact CE2-CD2 3.74Å; Y1086-F1096 HydrophobicContact CE2-CD2 3.74Å; Y1086-F1096 AromaticContact CE2-CG 3.97Å; Y1086-F1096 HydrophobicContact CE2-CG 3.97Å; Y1086-F1096 HydrophobicContact CG-CB 4.29Å; Y1086-F1096 VanDerWaalsContact CZ-CB 3.46Å; Y1086-F1096 PolarHBondContact N-O 2.93Å; Y1086-F1096 WeakPolarHBondContact O-CD2 3.32Å; Y1086-F1096 PolarHBondContact O-N 3.36Å; Y1086-Q1116 VanDerWaalsContact OH-CB 3.22Å; Y1086-Q1116 WeakPolarHBondContact OH-CB 3.44Å; Y1086-F1118 HydrophobicContact CE2-CE2 4.02Å; Y1086-F1118 AromaticContact CE2-CZ 3.79Å; Y1086-F1118 HydrophobicContact CE2-CZ 3.79Å; Y1086-L1135 HydrophobicContact CD2-CD2 4.11Å; Y1086-E1136 CarbonylContact C-O 3.57Å; Y1086-E1136 WeakPolarHBondContact CA-O 3.35Å; Y1086-E1136 WeakPolarHBondContact CB-O 3.43Å; Y1086-F1137 VanDerWaalsContact CB-CD1 3.48Å; Y1086-F1137 HydrophobicContact CD1-CD1 4.27Å; Y1086-F1137 AromaticContact CD1-CE1 3.95Å; Y1086-F1137 HydrophobicContact CD1-CE1 3.95Å; Y1086-F1137 HydrophobicContact CD2-CE1 4.18Å; Y1086-F1137 HydrophobicContact CD2-CZ 4.3Å; Y1086-F1137 HydrophobicContact CG-CD1 4.02Å; Y1086-F1137 AromaticContact CG-CE1 3.65Å; Y1086-F1137 HydrophobicContact CG-CE1 3.65Å; Y1086-F1137 HydrophobicContact CG-CZ 4.17Å |
| 1087 | R | 89.1 | Confident | 80.2 | Confident | 66 Ų | 66 | 44 Ų | 44 | 25% | 0.249 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 152.9 | -169.9 | 66.4 | -176.7 | -172.5 | 170.4 | 5.4 | 113.1 | E1094 V1095 L1135 E1136 | R1087-E1094 WeakPolarHBondContact CB-O 3.42Å; R1087-V1095 HydrophobicContact CB-CG2 4.3Å; R1087-L1135 VanDerWaalsContact O-CD1 3.29Å; R1087-L1135 WeakPolarHBondContact O-CD1 3.46Å; R1087-E1136 HydrophobicContact CG-CB 4.19Å; R1087-E1136 IonicContact CZ-OE2 3.17Å; R1087-E1136 PolarHBondContact N-O 2.77Å; R1087-E1136 IonicContact NE-OE2 2.75Å; R1087-E1136 PolarHBondContact NE-OE2 2.89Å; R1087-E1136 IonicContact NH2-OE2 3.84Å; R1087-E1136 PolarHBondContact NH2-OE2 3.38Å; R1087-E1136 PolarHBondContact O-N 2.82Å; R1087-E1136 VanDerWaalsContact O-N 3.15Å |
| 1088 | F | 88.1 | Confident | 81 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 132.6 | 169.2 | -65.6 | -97.9 | 0 | 0 | 0 | 109.4 | L891 I957 F959 F1065 H1090 Q1091 F1096 Y1129 L1135 | L891-F1088 HydrophobicContact CD1-CE1 3.88Å; L891-F1088 HydrophobicContact CD1-CZ 4.43Å; I957-F1088 HydrophobicContact CD1-CD2 4.09Å; I957-F1088 HydrophobicContact CD1-CE2 3.36Å; I957-F1088 HydrophobicContact CD1-CZ 3.82Å; F959-F1088 HydrophobicContact CE2-CD1 4.36Å; F959-F1088 HydrophobicContact CE2-CE1 4.41Å; F959-F1088 AromaticContact CZ-CD1 3.79Å; F959-F1088 HydrophobicContact CZ-CD1 3.79Å; F959-F1088 HydrophobicContact CZ-CE1 4.12Å; F1065-F1088 HydrophobicContact CZ-CZ 4.24Å; F1088-H1090 PolarHBondContact O-N 3.09Å; F1088-Q1091 CarbonylContact O-C 3.56Å; F1088-Q1091 PolarHBondContact O-N 3.31Å; F1088-F1096 HydrophobicContact CD2-CE2 4.07Å; F1088-F1096 HydrophobicContact CE2-CE2 4Å; F1088-Y1129 WeakPolarHBondContact CA-OH 3.48Å; F1088-Y1129 HydrophobicContact CB-CE2 4.35Å; F1088-Y1129 HydrophobicContact CD1-CD1 4.11Å; F1088-Y1129 AromaticContact CD1-CE1 3.66Å; F1088-Y1129 HydrophobicContact CD1-CE1 3.66Å; F1088-Y1129 HydrophobicContact CD1-CE2 4.44Å; F1088-Y1129 AromaticContact CD1-CZ 3.85Å; F1088-Y1129 HydrophobicContact CE1-CE1 4.29Å; F1088-L1135 HydrophobicContact CD1-CD1 3.78Å; F1088-L1135 HydrophobicContact CD2-CD1 3.71Å; F1088-L1135 HydrophobicContact CE1-CD1 3.8Å; F1088-L1135 HydrophobicContact CE2-CD1 3.68Å; F1088-L1135 HydrophobicContact CG-CD1 3.74Å; F1088-L1135 HydrophobicContact CZ-CD1 3.74Å |
| 1089 | Q | 81.7 | Confident | 81.6 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.8 | -173.8 | -64.9 | -170 | -46.5 | 0 | 0 | 114.1 | W967 H1092 Y1129 E1136 | W967-Q1089 HydrophobicContact CH2-CB 4.16Å; W967-Q1089 HydrophobicContact CZ2-CB 3.54Å; W967-Q1089 PolarHBondContact NE1-O 3.43Å; Q1089-H1092 PolarHBondContact O-CE1 2.88Å; Q1089-H1092 PolarHBondContact O-ND1 3.36Å; Q1089-Y1129 HydrophobicContact CB-CE2 4.36Å; Q1089-Y1129 PolarHBondContact N-OH 2.99Å; Q1089-E1136 HydrophobicContact CG-CG 3.86Å; Q1089-E1136 PolarHBondContact NE2-OE1 3.17Å |
| 1090 | H | 80.8 | Confident | 81.8 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 12% | 0.12 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -9.9 | 177 | 84.7 | -67.3 | 0 | 0 | 0 | 114.4 | F959 Y964 W967 F1088 Y1129 | F959-H1090 AromaticContact CD1-CE1 3.45Å; F959-H1090 VanDerWaalsContact CD1-CE1 3.45Å; F959-H1090 WeakPolarHBondContact CD1-CE1 3.39Å; F959-H1090 AromaticContact CD1-NE2 3.43Å; F959-H1090 WeakPolarHBondContact CD1-NE2 3.43Å; F959-H1090 AromaticContact CE1-CE1 3.09Å; F959-H1090 WeakPolarHBondContact CE1-CE1 3.46Å; F959-H1090 AromaticContact CE1-ND1 3.62Å; F959-H1090 AromaticContact CE1-NE2 3.59Å; F959-H1090 AromaticContact CE2-CE1 3.81Å; F959-H1090 AromaticContact CG-CE1 3.97Å; F959-H1090 AromaticContact CG-NE2 3.83Å; F959-H1090 AromaticContact CZ-CE1 3.3Å; F959-H1090 WeakPolarHBondContact CZ-CE1 3.45Å; F959-H1090 AromaticContact CZ-ND1 3.96Å; Y964-H1090 HydrophobicContact CD2-CB 4.28Å; Y964-H1090 AromaticContact CD2-CD2 3.91Å; W967-H1090 HydrophobicContact CB-CB 4.47Å; W967-H1090 HydrophobicContact CD2-CB 3.38Å; W967-H1090 HydrophobicContact CE3-CB 3.57Å; W967-H1090 HydrophobicContact CG-CB 3.8Å; W967-H1090 HydrophobicContact CH2-CB 4.18Å; W967-H1090 HydrophobicContact CZ2-CB 4.03Å; W967-H1090 HydrophobicContact CZ3-CB 3.97Å; F1088-H1090 PolarHBondContact O-N 3.09Å; H1090-Y1129 AromaticContact ND1-CD2 3.94Å; H1090-Y1129 AromaticContact ND1-CE2 3.88Å |
| 1091 | Q | 75.9 | Confident | 82.2 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | trans | -123.5 | 68.3 | -179.5 | -69.4 | 167.3 | -65.5 | 0 | 0 | 109.4 | F1088 N1093 E1094 | F1088-Q1091 CarbonylContact O-C 3.56Å; F1088-Q1091 PolarHBondContact O-N 3.31Å; Q1091-N1093 PolarHBondContact O-N 3.47Å; Q1091-E1094 HydrophobicContact CB-CB 4.15Å; Q1091-E1094 PolarHBondContact NE2-OE1 2.67Å; Q1091-E1094 PolarHBondContact NE2-OE2 2.61Å; Q1091-E1094 PolarHBondContact O-N 3.33Å | ||
| 1092 | H | 67 | Low | 82.1 | Confident | 108 Ų | 108 | 50.9 Ų | 50.9 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -21.6 | -178.7 | -56.8 | -52.4 | 0 | 0 | 0 | 114.3 | Q1089 | Q1089-H1092 PolarHBondContact O-CE1 2.88Å; Q1089-H1092 PolarHBondContact O-ND1 3.36Å |
| 1093 | N | 69 | Low | 81.5 | Confident | 163 Ų | 163 | 51.8 Ų | 51.8 | 87% | 0.872 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.3 | -179 | -59.7 | -1.5 | 0 | 0 | 0 | 113.6 | Q1091 | Q1091-N1093 PolarHBondContact O-N 3.47Š|
| 1094 | E | 76.1 | Confident | 80.5 | Confident | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | trans | -105.2 | 104.1 | 179.5 | -70.6 | 176.1 | -144.3 | 0 | 0 | 109.7 | R1087 Q1091 F1096 | R1087-E1094 WeakPolarHBondContact CB-O 3.42Å; Q1091-E1094 HydrophobicContact CB-CB 4.15Å; Q1091-E1094 PolarHBondContact NE2-OE1 2.67Å; Q1091-E1094 PolarHBondContact NE2-OE2 2.61Å; Q1091-E1094 PolarHBondContact O-N 3.33Å; E1094-F1096 HydrophobicContact CB-CZ 4.5Å | ||
| 1095 | V | 79.8 | Confident | 79 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 39% | 0.394 | 31% | 0.313 | S | S | . | . | trans | -121 | 117.7 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | Q1085 R1087 | Q1085-V1095 HydrophobicContact CB-CG1 3.76Å; Q1085-V1095 HydrophobicContact CG-CG1 4.01Å; R1087-V1095 HydrophobicContact CB-CG2 4.3Å | ||
| 1096 | F | 85.8 | Confident | 77.6 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.9 | 175.5 | -50.2 | -73.1 | 0 | 0 | 0 | 108.4 | L955 I957 Q1085 Y1086 F1088 E1094 F1118 | L955-F1096 HydrophobicContact CD1-CD1 3.81Å; L955-F1096 HydrophobicContact CD1-CE1 3.77Å; I957-F1096 HydrophobicContact CD1-CE2 4.37Å; I957-F1096 HydrophobicContact CD1-CZ 4.1Å; I957-F1096 HydrophobicContact CG1-CZ 4.47Å; Q1085-F1096 CarbonylContact C-O 3.54Å; Q1085-F1096 VanDerWaalsContact CA-O 3.26Å; Q1085-F1096 WeakPolarHBondContact CA-O 3.4Å; Y1086-F1096 HydrophobicContact CD1-CB 4.12Å; Y1086-F1096 WeakPolarHBondContact CD1-O 3.28Å; Y1086-F1096 HydrophobicContact CD2-CB 4.1Å; Y1086-F1096 AromaticContact CD2-CD2 3.95Å; Y1086-F1096 HydrophobicContact CD2-CD2 3.95Å; Y1086-F1096 HydrophobicContact CD2-CG 4.45Å; Y1086-F1096 HydrophobicContact CE1-CB 3.7Å; Y1086-F1096 HydrophobicContact CE2-CB 3.69Å; Y1086-F1096 AromaticContact CE2-CD2 3.74Å; Y1086-F1096 HydrophobicContact CE2-CD2 3.74Å; Y1086-F1096 AromaticContact CE2-CG 3.97Å; Y1086-F1096 HydrophobicContact CE2-CG 3.97Å; Y1086-F1096 HydrophobicContact CG-CB 4.29Å; Y1086-F1096 VanDerWaalsContact CZ-CB 3.46Å; Y1086-F1096 PolarHBondContact N-O 2.93Å; Y1086-F1096 WeakPolarHBondContact O-CD2 3.32Å; Y1086-F1096 PolarHBondContact O-N 3.36Å; F1088-F1096 HydrophobicContact CD2-CE2 4.07Å; F1088-F1096 HydrophobicContact CE2-CE2 4Å; E1094-F1096 HydrophobicContact CB-CZ 4.5Å; F1096-F1118 HydrophobicContact CD1-CE1 4.15Å; F1096-F1118 HydrophobicContact CD1-CZ 4.31Å; F1096-F1118 HydrophobicContact CD2-CE1 4.33Å; F1096-F1118 HydrophobicContact CD2-CZ 4.06Å; F1096-F1118 AromaticContact CE1-CE1 3.83Å; F1096-F1118 HydrophobicContact CE1-CE1 3.83Å; F1096-F1118 HydrophobicContact CE1-CZ 4.39Å; F1096-F1118 HydrophobicContact CE2-CE1 4.02Å; F1096-F1118 HydrophobicContact CE2-CZ 4.14Å; F1096-F1118 HydrophobicContact CG-CE1 4.41Å; F1096-F1118 HydrophobicContact CG-CZ 4.16Å; F1096-F1118 AromaticContact CZ-CE1 3.76Å; F1096-F1118 HydrophobicContact CZ-CE1 3.76Å; F1096-F1118 HydrophobicContact CZ-CZ 4.32Å |
| 1097 | S | 84.6 | Confident | 76.1 | Confident | 54 Ų | 54 | 70 Ų | 70 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 153.7 | 178.4 | -164.4 | 0 | 0 | 0 | 0 | 111.3 | C1084 Q1114 | C1084-S1097 CarbonylContact O-C 3.58Å; C1084-S1097 WeakPolarHBondContact O-CA 3.31Å; S1097-Q1114 PolarHBondContact O-NE2 3.13Å; S1097-Q1114 VanDerWaalsContact O-NE2 3.13Å |
| 1098 | T | 85.2 | Confident | 74.6 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 162.4 | 161.1 | 74 | 0 | 0 | 0 | 0 | 111.6 | I1069 C1084 I1112 Q1114 | I1069-T1098 HydrophobicContact CD1-CG2 3.69Å; C1084-T1098 HydrophobicContact CB-CG2 4.03Å; C1084-T1098 PolarHBondContact N-OG1 2.93Å; C1084-T1098 PolarHBondContact O-N 3.45Å; T1098-I1112 HydrophobicContact CG2-CG2 3.89Å; T1098-Q1114 HydrophobicContact CG2-CB 4.33Å |
| 1099 | D | 81.5 | Confident | 73.4 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 68% | 0.684 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 161.2 | 158.9 | -66.8 | -46.2 | 0 | 0 | 0 | 110.9 | ||
| 1100 | T | 80.2 | Confident | 72.8 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 132.1 | 172.1 | 37.8 | 0 | 0 | 0 | 0 | 110.3 | Y881 F1083 | Y881-T1100 HydrophobicContact CE1-CG2 4.1Å; F1083-T1100 HydrophobicContact CB-CG2 3.94Å; F1083-T1100 HydrophobicContact CD1-CG2 3.77Å; F1083-T1100 HydrophobicContact CG-CG2 4.2Å |
| 1101 | V | 81.3 | Confident | 72.4 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 20% | 0.2 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.7 | -177.2 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | V1082 V1110 | V1082-V1101 PolarHBondContact N-O 2.89Å; V1082-V1101 PolarHBondContact O-N 3.11Å; V1101-V1110 HydrophobicContact CB-CG1 3.83Å; V1101-V1110 HydrophobicContact CG1-CG1 3.42Å; V1101-V1110 VanDerWaalsContact CG1-CG1 3.42Å |
| 1102 | P | 78.4 | Confident | 72.2 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 144 | -177.6 | 26.1 | -34.8 | 0 | 0 | 0 | 112.8 | V1110 | P1102-V1110 VanDerWaalsContact O-CG2 3.24Å; P1102-V1110 WeakPolarHBondContact O-CG2 3.44Å |
| 1103 | Y | 70.6 | Confident | 72.5 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 8% | 0.075 | 41% | 0.411 | C | S | . | . | trans | -104.1 | 89.9 | -177 | -172.3 | -100.1 | 0 | 0 | 0 | 112.4 | F1075 F1079 T1080 N1105 V1110 | F1075-Y1103 HydrophobicContact CB-CD2 4.47Å; F1075-Y1103 HydrophobicContact CB-CE1 4.13Å; F1075-Y1103 HydrophobicContact CB-CE2 3.88Å; F1075-Y1103 AromaticContact CD2-CD2 3.69Å; F1075-Y1103 HydrophobicContact CD2-CD2 3.69Å; F1075-Y1103 AromaticContact CD2-CE2 3.48Å; F1075-Y1103 HydrophobicContact CD2-CE2 3.48Å; F1075-Y1103 VanDerWaalsContact CD2-CE2 3.48Å; F1075-Y1103 HydrophobicContact CE2-CE2 4.47Å; F1075-Y1103 HydrophobicContact CG-CE2 4.08Å; F1075-Y1103 PolarHBondContact N-OH 3.11Å; F1075-Y1103 VanDerWaalsContact N-OH 3.1Å; F1075-Y1103 PolarHBondContact O-OH 3.16Å; F1075-Y1103 VanDerWaalsContact O-OH 3.09Å; F1079-Y1103 WeakPolarHBondContact O-CD1 3.41Å; T1080-Y1103 PolarHBondContact O-N 3.44Å; Y1103-N1105 WeakPolarHBondContact CE1-OD1 3.37Å; Y1103-N1105 PolarHBondContact O-N 3.26Å; Y1103-V1110 HydrophobicContact CD2-CB 4.39Å; Y1103-V1110 HydrophobicContact CD2-CG2 3.46Å; Y1103-V1110 VanDerWaalsContact CD2-CG2 3.46Å; Y1103-V1110 HydrophobicContact CE2-CG2 4.25Å; Y1103-V1110 HydrophobicContact CG-CG2 4.2Å | ||
| 1104 | N | 66.7 | Low | 73 | Confident | 98 Ų | 98 | 70.7 Ų | 70.7 | 52% | 0.524 | 38% | 0.379 | S | S | . | . | trans | -77.6 | 110.2 | 174.1 | -78.5 | -0.3 | 0 | 0 | 0 | 111.4 | E1106 I1107 | N1104-E1106 PolarHBondContact O-N 3.09Å; N1104-I1107 PolarHBondContact O-N 3.4Å; N1104-I1107 VanDerWaalsContact O-N 3.11Å | ||
| 1105 | N | 57.1 | Low | 73.4 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.5 | 176.4 | -75.2 | -60.5 | 0 | 0 | 0 | 114.9 | S1077 Y1103 I1107 | S1077-N1105 VanDerWaalsContact CA-OD1 3.22Å; S1077-N1105 WeakPolarHBondContact CA-OD1 3.27Å; S1077-N1105 WeakPolarHBondContact CB-OD1 3.34Å; Y1103-N1105 WeakPolarHBondContact CE1-OD1 3.37Å; Y1103-N1105 PolarHBondContact O-N 3.26Å; N1105-I1107 VanDerWaalsContact C-N 3.28Å; N1105-I1107 PolarHBondContact O-N 3.27Å |
| 1106 | E | 59 | Low | 73.7 | Confident | 187 Ų | 187 | 66.7 Ų | 66.7 | 87% | 0.874 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -16.2 | 178.8 | -59.9 | -174.4 | 155.2 | 0 | 0 | 113.8 | N1104 | N1104-E1106 PolarHBondContact O-N 3.09Š|
| 1107 | I | 59.5 | Low | 73.9 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 52% | 0.518 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -113.8 | 130.8 | -177.8 | -54.4 | 178.7 | 0 | 0 | 0 | 107.8 | N1104 N1105 G1109 | N1104-I1107 PolarHBondContact O-N 3.4Å; N1104-I1107 VanDerWaalsContact O-N 3.11Å; N1105-I1107 VanDerWaalsContact C-N 3.28Å; N1105-I1107 PolarHBondContact O-N 3.27Å; I1107-G1109 WeakPolarHBondContact CG2-O 3.43Å; I1107-G1109 PolarHBondContact O-N 3.18Å |
| 1108 | D | 58.6 | Low | 74.1 | Confident | 106 Ų | 106 | 63.9 Ų | 63.9 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -70.8 | 55.1 | 177.4 | 177.2 | 51.8 | 0 | 0 | 0 | 111.6 | K1073 | K1073-D1108 WeakPolarHBondContact CD-O 3.44Å; K1073-D1108 WeakPolarHBondContact CE-O 3.3Å; K1073-D1108 WeakPolarHBondContact CG-O 3.45Å; K1073-D1108 PolarHBondContact NZ-O 3.39Å; K1073-D1108 IonicContact NZ-OD2 3.5Å; K1073-D1108 PolarHBondContact NZ-OD2 3.45Å |
| 1109 | G | 62 | Low | 74.3 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | trans | 136.7 | 149 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1072 I1107 | A1072-G1109 CarbonylContact O-C 3.52Å; A1072-G1109 WeakPolarHBondContact O-CA 3.48Å; I1107-G1109 WeakPolarHBondContact CG2-O 3.43Å; I1107-G1109 PolarHBondContact O-N 3.18Å | ||
| 1110 | V | 69.8 | Low | 74.7 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 128.9 | 171.5 | 165.6 | 0 | 0 | 0 | 0 | 110.3 | N1071 A1072 V1101 P1102 Y1103 I1112 | N1071-V1110 CarbonylContact C-O 3.53Å; N1071-V1110 WeakPolarHBondContact CA-O 3.35Å; N1071-V1110 WeakPolarHBondContact CB-O 3.37Å; A1072-V1110 PolarHBondContact N-O 3.12Å; A1072-V1110 PolarHBondContact O-N 3.47Å; V1101-V1110 HydrophobicContact CB-CG1 3.83Å; V1101-V1110 HydrophobicContact CG1-CG1 3.42Å; V1101-V1110 VanDerWaalsContact CG1-CG1 3.42Å; P1102-V1110 VanDerWaalsContact O-CG2 3.24Å; P1102-V1110 WeakPolarHBondContact O-CG2 3.44Å; Y1103-V1110 HydrophobicContact CD2-CB 4.39Å; Y1103-V1110 HydrophobicContact CD2-CG2 3.46Å; Y1103-V1110 VanDerWaalsContact CD2-CG2 3.46Å; Y1103-V1110 HydrophobicContact CE2-CG2 4.25Å; Y1103-V1110 HydrophobicContact CG-CG2 4.2Å; V1110-I1112 HydrophobicContact CG1-CG1 4.14Å; V1110-I1112 PolarHBondContact O-N 2.93Å |
| 1111 | N | 72.3 | Confident | 75.1 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | trans | -84.7 | 97.1 | 174.2 | -64.3 | -39.2 | 0 | 0 | 0 | 109.8 | N1071 M1113 | N1071-N1111 WeakPolarHBondContact CB-OD1 3.36Å; N1111-M1113 HydrophobicContact CB-CG 3.81Å; N1111-M1113 HydrophobicContact CB-SD 4.47Å | ||
| 1112 | I | 72.1 | Confident | 75.4 | Confident | 16 Ų | 16 | 58 Ų | 58 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | trans | -72.6 | -34.7 | 177.3 | -60.3 | 177.9 | 0 | 0 | 0 | 110.9 | L917 I1069 L1070 A1072 T1098 V1110 Q1114 | L917-I1112 HydrophobicContact CD1-CD1 4.23Å; I1069-I1112 HydrophobicContact CB-CG2 4.46Å; I1069-I1112 HydrophobicContact CG2-CB 4.06Å; I1069-I1112 HydrophobicContact CG2-CD1 4.09Å; I1069-I1112 HydrophobicContact CG2-CG2 4.02Å; L1070-I1112 PolarHBondContact O-N 2.71Å; A1072-I1112 HydrophobicContact CB-CD1 3.83Å; A1072-I1112 HydrophobicContact CB-CG1 4.44Å; T1098-I1112 HydrophobicContact CG2-CG2 3.89Å; V1110-I1112 HydrophobicContact CG1-CG1 4.14Å; V1110-I1112 PolarHBondContact O-N 2.93Å; I1112-Q1114 HydrophobicContact CG2-CB 4.37Å; I1112-Q1114 PolarHBondContact O-N 3.18Å | ||
| 1113 | M | 72.1 | Confident | 75.9 | Confident | 150 Ų | 150 | 55.4 Ų | 55.4 | 74% | 0.739 | 29% | 0.285 | S | S | * | . | trans | 46.7 | 30.6 | 174.2 | -53.5 | -139.7 | -55.2 | 0 | 0 | 117.4 | I1069 L1070 N1111 | I1069-M1113 CarbonylContact O-C 3.5Å; I1069-M1113 VanDerWaalsContact O-CA 3.28Å; I1069-M1113 WeakPolarHBondContact O-CA 3.36Å; I1069-M1113 PolarHBondContact O-N 3.18Å; L1070-M1113 PolarHBondContact O-N 3.29Å; L1070-M1113 VanDerWaalsContact O-N 3.17Å; N1111-M1113 HydrophobicContact CB-CG 3.81Å; N1111-M1113 HydrophobicContact CB-SD 4.47Å | ||
| 1114 | Q | 80.2 | Confident | 76.6 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.5 | 179.3 | -171.6 | 160.7 | -30.5 | 0 | 0 | 111.9 | N1068 I1069 S1097 T1098 I1112 | N1068-Q1114 CarbonylContact C-O 3.48Å; N1068-Q1114 WeakPolarHBondContact CA-O 3.48Å; I1069-Q1114 PolarHBondContact N-O 2.73Å; I1069-Q1114 PolarHBondContact O-N 3.39Å; S1097-Q1114 PolarHBondContact O-NE2 3.13Å; S1097-Q1114 VanDerWaalsContact O-NE2 3.13Å; T1098-Q1114 HydrophobicContact CG2-CB 4.33Å; I1112-Q1114 HydrophobicContact CG2-CB 4.37Å; I1112-Q1114 PolarHBondContact O-N 3.18Å |
| 1115 | S | 84.1 | Confident | 77.5 | Confident | 33 Ų | 33 | 50 Ų | 50 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 112.1 | 177 | 152.5 | 0 | 0 | 0 | 0 | 109.7 | R1066 I1067 N1068 | R1066-S1115 WeakPolarHBondContact CD-OG 3.27Å; I1067-S1115 WeakPolarHBondContact O-CA 3.27Å; N1068-S1115 VanDerWaalsContact OD1-CB 3.3Å; N1068-S1115 WeakPolarHBondContact OD1-CB 3.42Å |
| 1116 | Q | 86.9 | Confident | 79.1 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.1 | 170.4 | -172.9 | 55.3 | 58.2 | 0 | 0 | 110.8 | D953 L955 R1066 I1067 Y1086 F1118 | D953-Q1116 PolarHBondContact O-NE2 3.02Å; D953-Q1116 VanDerWaalsContact O-NE2 3.16Å; L955-Q1116 HydrophobicContact CD1-CG 4.04Å; R1066-Q1116 WeakPolarHBondContact CA-O 3.42Å; I1067-Q1116 PolarHBondContact N-O 3.17Å; I1067-Q1116 PolarHBondContact O-N 2.68Å; Y1086-Q1116 VanDerWaalsContact OH-CB 3.22Å; Y1086-Q1116 WeakPolarHBondContact OH-CB 3.44Å; Q1116-F1118 HydrophobicContact CB-CE2 3.88Å; Q1116-F1118 HydrophobicContact CB-CZ 4.03Å; Q1116-F1118 HydrophobicContact CG-CD1 4.28Å; Q1116-F1118 HydrophobicContact CG-CD2 4.19Å; Q1116-F1118 HydrophobicContact CG-CE1 3.69Å; Q1116-F1118 HydrophobicContact CG-CE2 3.59Å; Q1116-F1118 HydrophobicContact CG-CZ 3.32Å |
| 1117 | N | 89.9 | Confident | 80.5 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 136.9 | 169.4 | -55.6 | -60.1 | 0 | 0 | 0 | 109.3 | I924 L955 R1066 | I924-N1117 HydrophobicContact CD1-CB 4.33Å; L955-N1117 PolarHBondContact N-O 3.15Å; R1066-N1117 PolarHBondContact NE-OD1 3.46Å; R1066-N1117 PolarHBondContact NH2-OD1 3.49Å |
| 1118 | F | 89.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.6 | 178.6 | -69.6 | -68.1 | 0 | 0 | 0 | 111 | L955 I957 K1064 F1065 I1067 Y1086 F1096 Q1116 | L955-F1118 HydrophobicContact CB-CD1 4.01Å; L955-F1118 HydrophobicContact CB-CE1 4.12Å; L955-F1118 HydrophobicContact CD1-CE1 4.2Å; L955-F1118 WeakPolarHBondContact O-CA 3.49Å; I957-F1118 HydrophobicContact CD1-CD1 3.43Å; I957-F1118 VanDerWaalsContact CD1-CD1 3.43Å; I957-F1118 HydrophobicContact CD1-CE1 3.75Å; I957-F1118 HydrophobicContact CD1-CG 4.09Å; I957-F1118 HydrophobicContact CG1-CD1 3.93Å; I957-F1118 HydrophobicContact CG1-CE1 4.4Å; K1064-F1118 WeakPolarHBondContact CA-O 3.44Å; F1065-F1118 HydrophobicContact CD1-CB 4.17Å; F1065-F1118 HydrophobicContact CD2-CB 4.2Å; F1065-F1118 HydrophobicContact CD2-CD2 4.22Å; F1065-F1118 HydrophobicContact CE1-CB 3.76Å; F1065-F1118 HydrophobicContact CE2-CB 3.8Å; F1065-F1118 AromaticContact CE2-CD2 3.64Å; F1065-F1118 HydrophobicContact CE2-CD2 3.64Å; F1065-F1118 HydrophobicContact CE2-CG 4.02Å; F1065-F1118 HydrophobicContact CG-CB 4.38Å; F1065-F1118 HydrophobicContact CZ-CB 3.56Å; F1065-F1118 HydrophobicContact CZ-CD2 4.11Å; F1065-F1118 HydrophobicContact CZ-CG 4.02Å; F1065-F1118 PolarHBondContact N-O 3.5Å; F1065-F1118 PolarHBondContact O-N 2.93Å; I1067-F1118 HydrophobicContact CB-CE2 4.31Å; I1067-F1118 HydrophobicContact CD1-CD2 4.27Å; I1067-F1118 HydrophobicContact CD1-CE2 3.9Å; I1067-F1118 HydrophobicContact CG1-CD2 4.14Å; I1067-F1118 HydrophobicContact CG1-CE2 4.02Å; Y1086-F1118 HydrophobicContact CE2-CE2 4.02Å; Y1086-F1118 AromaticContact CE2-CZ 3.79Å; Y1086-F1118 HydrophobicContact CE2-CZ 3.79Å; F1096-F1118 HydrophobicContact CD1-CE1 4.15Å; F1096-F1118 HydrophobicContact CD1-CZ 4.31Å; F1096-F1118 HydrophobicContact CD2-CE1 4.33Å; F1096-F1118 HydrophobicContact CD2-CZ 4.06Å; F1096-F1118 AromaticContact CE1-CE1 3.83Å; F1096-F1118 HydrophobicContact CE1-CE1 3.83Å; F1096-F1118 HydrophobicContact CE1-CZ 4.39Å; F1096-F1118 HydrophobicContact CE2-CE1 4.02Å; F1096-F1118 HydrophobicContact CE2-CZ 4.14Å; F1096-F1118 HydrophobicContact CG-CE1 4.41Å; F1096-F1118 HydrophobicContact CG-CZ 4.16Å; F1096-F1118 AromaticContact CZ-CE1 3.76Å; F1096-F1118 HydrophobicContact CZ-CE1 3.76Å; F1096-F1118 HydrophobicContact CZ-CZ 4.32Å; Q1116-F1118 HydrophobicContact CB-CE2 3.88Å; Q1116-F1118 HydrophobicContact CB-CZ 4.03Å; Q1116-F1118 HydrophobicContact CG-CD1 4.28Å; Q1116-F1118 HydrophobicContact CG-CD2 4.19Å; Q1116-F1118 HydrophobicContact CG-CE1 3.69Å; Q1116-F1118 HydrophobicContact CG-CE2 3.59Å; Q1116-F1118 HydrophobicContact CG-CZ 3.32Å |
| 1119 | K | 89.8 | Confident | 83.2 | Confident | 44 Ų | 44 | 27 Ų | 27 | 19% | 0.191 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.5 | 177.9 | 178.7 | -163.4 | 174.3 | -153.1 | 0 | 107.5 | L955 E956 I957 I1062 | L955-K1119 PolarHBondContact O-N 3.38Å; E956-K1119 CarbonylContact C-O 3.43Å; E956-K1119 WeakPolarHBondContact CA-O 3.42Å; E956-K1119 HydrophobicContact CB-CD 4.3Å; E956-K1119 HydrophobicContact CG-CD 4.35Å; E956-K1119 WeakPolarHBondContact OE1-CE 3.35Å; E956-K1119 IonicContact OE1-NZ 2.65Å; E956-K1119 PolarHBondContact OE1-NZ 3.41Å; E956-K1119 IonicContact OE2-NZ 2.63Å; E956-K1119 PolarHBondContact OE2-NZ 3.34Å; I957-K1119 PolarHBondContact N-O 2.81Å; I1062-K1119 HydrophobicContact CG2-CD 4.46Å; I1062-K1119 HydrophobicContact CG2-CG 3.6Å |
| 1120 | V | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140.5 | -178.1 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | F959 I1062 F1063 F1065 F1126 | F959-V1120 HydrophobicContact CD2-CG2 3.82Å; F959-V1120 HydrophobicContact CE2-CG2 4.41Å; I1062-V1120 CarbonylContact C-O 3.13Å; I1062-V1120 WeakPolarHBondContact CA-O 3.19Å; F1063-V1120 HydrophobicContact CB-CG1 4.13Å; F1063-V1120 HydrophobicContact CD1-CG1 4.16Å; F1063-V1120 PolarHBondContact N-O 3.4Å; F1063-V1120 PolarHBondContact O-N 3.26Å; F1065-V1120 HydrophobicContact CD1-CG1 4.35Å; F1065-V1120 HydrophobicContact CE1-CG1 3.92Å; V1120-F1126 HydrophobicContact CG1-CD1 4.18Å; V1120-F1126 HydrophobicContact CG1-CD2 4.33Å; V1120-F1126 HydrophobicContact CG1-CE1 3.75Å; V1120-F1126 HydrophobicContact CG1-CE2 3.93Å; V1120-F1126 HydrophobicContact CG1-CG 4.45Å; V1120-F1126 HydrophobicContact CG1-CZ 3.63Å; V1120-F1126 HydrophobicContact CG2-CB 4.41Å; V1120-F1126 HydrophobicContact CG2-CD1 4.35Å; V1120-F1126 HydrophobicContact CG2-CD2 3.92Å; V1120-F1126 HydrophobicContact CG2-CE2 4.28Å; V1120-F1126 HydrophobicContact CG2-CG 3.96Å |
| 1121 | I | 89.3 | Confident | 85.3 | Confident | 79 Ų | 79 | 27.2 Ų | 27.2 | 41% | 0.405 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 128 | 169.2 | -59.9 | 175.1 | 0 | 0 | 0 | 107.4 | I1062 T1123 | I1062-I1121 HydrophobicContact CG1-CG1 4.42Å; I1121-T1123 PolarHBondContact O-N 3.17Å |
| 1122 | N | 87.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | trans | -63.6 | 99.8 | 178 | -70.7 | -34.5 | 0 | 0 | 0 | 110.6 | F1056 L1057 K1058 L1059 G1060 E1061 F1063 | F1056-N1122 PolarHBondContact O-ND2 3.05Å; L1057-N1122 WeakPolarHBondContact CA-ND2 3.33Å; L1057-N1122 WeakPolarHBondContact CD2-OD1 3.42Å; K1058-N1122 WeakPolarHBondContact O-CB 3.24Å; K1058-N1122 PolarHBondContact O-ND2 3.08Å; L1059-N1122 WeakPolarHBondContact CA-O 3.44Å; L1059-N1122 WeakPolarHBondContact CD2-O 3.29Å; G1060-N1122 PolarHBondContact N-O 3.48Å; E1061-N1122 WeakPolarHBondContact O-CB 3.31Å; E1061-N1122 PolarHBondContact O-N 2.86Å; E1061-N1122 PolarHBondContact O-ND2 2.9Å; F1063-N1122 WeakPolarHBondContact CB-OD1 3.25Å | ||
| 1123 | T | 88.8 | Confident | 86.4 | Confident | 26 Ų | 26 | 26.6 Ų | 26.6 | 16% | 0.16 | 14% | 0.135 | C | C | . | . | trans | -108.4 | 162.7 | 169.8 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | F959 I1121 G1125 F1126 L1127 | F959-T1123 WeakPolarHBondContact CB-OG1 3.48Å; F959-T1123 WeakPolarHBondContact O-CB 3.39Å; F959-T1123 VanDerWaalsContact O-CG2 3.31Å; F959-T1123 WeakPolarHBondContact O-CG2 3.46Å; F959-T1123 PolarHBondContact O-OG1 2.99Å; I1121-T1123 PolarHBondContact O-N 3.17Å; T1123-G1125 PolarHBondContact O-N 2.9Å; T1123-F1126 PolarHBondContact O-N 2.71Å; T1123-F1126 VanDerWaalsContact O-N 3.1Å; T1123-F1126 PolarHBondContact OG1-N 3.43Å; T1123-L1127 PolarHBondContact O-N 3.21Å; T1123-L1127 VanDerWaalsContact O-N 3.11Å | ||
| 1124 | V | 85.1 | Confident | 87.2 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -29.3 | 176.9 | -162.5 | 0 | 0 | 0 | 0 | 111.3 | T961 E1039 L1042 M1043 L1046 L1059 D1128 | T961-V1124 HydrophobicContact CG2-CB 4.38Å; E1039-V1124 HydrophobicContact CB-CG2 4.2Å; L1042-V1124 HydrophobicContact CB-CG1 3.86Å; L1042-V1124 HydrophobicContact CD2-CG1 4.06Å; L1042-V1124 HydrophobicContact CG-CG1 4.42Å; M1043-V1124 HydrophobicContact CG-CG1 3.76Å; M1043-V1124 HydrophobicContact CG-CG2 4.14Å; M1043-V1124 HydrophobicContact SD-CG1 3.6Å; M1043-V1124 HydrophobicContact SD-CG2 4.18Å; L1046-V1124 HydrophobicContact CD1-CG1 4.37Å; L1059-V1124 HydrophobicContact CD1-CG2 3.98Å; L1059-V1124 HydrophobicContact CD2-CG2 4.06Å; V1124-D1128 WeakPolarHBondContact O-CB 3.48Å; V1124-D1128 PolarHBondContact O-N 2.88Å; V1124-D1128 VanDerWaalsContact O-N 3.07Å |
| 1125 | G | 85.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.4 | -40.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1123 D1128 Y1129 | T1123-G1125 PolarHBondContact O-N 2.9Å; G1125-D1128 PolarHBondContact O-N 3.29Å; G1125-Y1129 PolarHBondContact O-N 3.42Å |
| 1126 | F | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 173.9 | 175.7 | -118.3 | 0 | 0 | 0 | 111.9 | F959 L1057 F1063 F1065 V1120 T1123 D1128 Y1129 I1130 | F959-F1126 HydrophobicContact CB-CB 3.98Å; F959-F1126 HydrophobicContact CD1-CB 4.12Å; F959-F1126 HydrophobicContact CD2-CB 4.11Å; F959-F1126 AromaticContact CD2-CD2 3.84Å; F959-F1126 HydrophobicContact CD2-CD2 3.84Å; F959-F1126 HydrophobicContact CD2-CG 4.37Å; F959-F1126 HydrophobicContact CE1-CD2 4.38Å; F959-F1126 AromaticContact CE2-CD2 3.62Å; F959-F1126 HydrophobicContact CE2-CD2 3.62Å; F959-F1126 HydrophobicContact CE2-CE2 4.32Å; F959-F1126 HydrophobicContact CG-CB 3.82Å; F959-F1126 HydrophobicContact CG-CD2 4.31Å; F959-F1126 AromaticContact CZ-CD2 3.91Å; F959-F1126 HydrophobicContact CZ-CD2 3.91Å; L1057-F1126 HydrophobicContact CD2-CE1 3.98Å; F1063-F1126 AromaticContact CD1-CE1 3.85Å; F1063-F1126 HydrophobicContact CD1-CE1 3.85Å; F1063-F1126 AromaticContact CD1-CZ 3.89Å; F1063-F1126 HydrophobicContact CD1-CZ 3.89Å; F1063-F1126 HydrophobicContact CE1-CE1 4.48Å; F1063-F1126 HydrophobicContact CE1-CZ 4.28Å; F1065-F1126 HydrophobicContact CE1-CE2 4.29Å; F1065-F1126 HydrophobicContact CE1-CZ 4.24Å; V1120-F1126 HydrophobicContact CG1-CD1 4.18Å; V1120-F1126 HydrophobicContact CG1-CD2 4.33Å; V1120-F1126 HydrophobicContact CG1-CE1 3.75Å; V1120-F1126 HydrophobicContact CG1-CE2 3.93Å; V1120-F1126 HydrophobicContact CG1-CG 4.45Å; V1120-F1126 HydrophobicContact CG1-CZ 3.63Å; V1120-F1126 HydrophobicContact CG2-CB 4.41Å; V1120-F1126 HydrophobicContact CG2-CD1 4.35Å; V1120-F1126 HydrophobicContact CG2-CD2 3.92Å; V1120-F1126 HydrophobicContact CG2-CE2 4.28Å; V1120-F1126 HydrophobicContact CG2-CG 3.96Å; T1123-F1126 PolarHBondContact O-N 2.71Å; T1123-F1126 VanDerWaalsContact O-N 3.1Å; T1123-F1126 PolarHBondContact OG1-N 3.43Å; F1126-D1128 PolarHBondContact O-N 3.38Å; F1126-Y1129 PolarHBondContact O-N 3.4Å; F1126-I1130 HydrophobicContact CD2-CG2 4.09Å; F1126-I1130 HydrophobicContact CE1-CD1 4.31Å; F1126-I1130 HydrophobicContact CE2-CG2 3.54Å; F1126-I1130 HydrophobicContact CZ-CD1 4.41Å; F1126-I1130 HydrophobicContact CZ-CG2 3.8Å; F1126-I1130 PolarHBondContact O-N 3.15Å; F1126-I1130 VanDerWaalsContact O-N 3.1Å |
| 1127 | L | 88.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 177.6 | -67.8 | 174.4 | 0 | 0 | 0 | 112.1 | L1053 L1057 L1059 T1123 I1130 L1131 | L1053-L1127 HydrophobicContact CD1-CD1 3.85Å; L1053-L1127 HydrophobicContact CD2-CD1 3.76Å; L1053-L1127 HydrophobicContact CD2-CD2 4.26Å; L1053-L1127 HydrophobicContact CG-CD1 4.5Å; L1057-L1127 HydrophobicContact CB-CD2 4.18Å; L1057-L1127 HydrophobicContact CD1-CD2 4.43Å; L1057-L1127 HydrophobicContact CD2-CD2 4.29Å; L1059-L1127 HydrophobicContact CD2-CD1 3.67Å; T1123-L1127 PolarHBondContact O-N 3.21Å; T1123-L1127 VanDerWaalsContact O-N 3.11Å; L1127-I1130 WeakPolarHBondContact O-CG1 3.35Å; L1127-L1131 WeakPolarHBondContact O-CB 3.36Å; L1127-L1131 WeakPolarHBondContact O-CD1 3.23Å; L1127-L1131 WeakPolarHBondContact O-CG 3.16Å; L1127-L1131 PolarHBondContact O-N 2.81Å |
| 1128 | D | 86.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 176.9 | -176.4 | 48.5 | 0 | 0 | 0 | 112.5 | Y964 R968 L1042 L1046 V1124 G1125 F1126 L1131 N1132 | Y964-D1128 HydrophobicContact CE1-CB 3.94Å; Y964-D1128 WeakPolarHBondContact CE1-OD2 3.46Å; Y964-D1128 VanDerWaalsContact CZ-OD2 3.32Å; Y964-D1128 VanDerWaalsContact OH-CG 3.31Å; Y964-D1128 PolarHBondContact OH-OD2 3.49Å; R968-D1128 WeakPolarHBondContact CD-OD2 3.45Å; R968-D1128 IonicContact CZ-OD1 2.73Å; R968-D1128 IonicContact CZ-OD2 3.25Å; R968-D1128 IonicContact NE-OD2 3.95Å; R968-D1128 IonicContact NH1-OD1 3.08Å; R968-D1128 PolarHBondContact NH1-OD1 2.8Å; R968-D1128 IonicContact NH1-OD2 3.4Å; R968-D1128 PolarHBondContact NH1-OD2 3.48Å; L1042-D1128 HydrophobicContact CD2-CB 3.57Å; L1046-D1128 HydrophobicContact CD1-CB 4.18Å; L1046-D1128 HydrophobicContact CD2-CB 4.35Å; L1046-D1128 WeakPolarHBondContact CD2-OD1 3.24Å; V1124-D1128 WeakPolarHBondContact O-CB 3.48Å; V1124-D1128 PolarHBondContact O-N 2.88Å; V1124-D1128 VanDerWaalsContact O-N 3.07Å; G1125-D1128 PolarHBondContact O-N 3.29Å; F1126-D1128 PolarHBondContact O-N 3.38Å; D1128-L1131 PolarHBondContact O-N 2.84Å; D1128-N1132 WeakPolarHBondContact O-CB 3.46Å; D1128-N1132 PolarHBondContact O-N 2.95Å; D1128-N1132 PolarHBondContact OD1-ND2 2.83Å |
| 1129 | Y | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.8 | -53.8 | 177.3 | -165.4 | -75.7 | 0 | 0 | 0 | 111.5 | F959 Y964 W967 F1088 Q1089 H1090 G1125 F1126 L1131 N1132 Y1133 P1134 | F959-Y1129 VanDerWaalsContact CE1-CB 3.5Å; F959-Y1129 HydrophobicContact CE1-CD1 4.49Å; F959-Y1129 AromaticContact CE1-CD2 3.82Å; F959-Y1129 HydrophobicContact CE1-CD2 3.82Å; F959-Y1129 AromaticContact CE1-CG 3.68Å; F959-Y1129 HydrophobicContact CE1-CG 3.68Å; F959-Y1129 HydrophobicContact CZ-CD1 4.38Å; F959-Y1129 HydrophobicContact CZ-CD2 4.31Å; F959-Y1129 AromaticContact CZ-CG 3.99Å; F959-Y1129 HydrophobicContact CZ-CG 3.99Å; Y964-Y1129 HydrophobicContact CE2-CD2 4.06Å; W967-Y1129 HydrophobicContact CH2-CD2 4.41Å; W967-Y1129 HydrophobicContact CH2-CE2 4.16Å; W967-Y1129 HydrophobicContact CZ3-CD2 4.45Å; F1088-Y1129 WeakPolarHBondContact CA-OH 3.48Å; F1088-Y1129 HydrophobicContact CB-CE2 4.35Å; F1088-Y1129 HydrophobicContact CD1-CD1 4.11Å; F1088-Y1129 AromaticContact CD1-CE1 3.66Å; F1088-Y1129 HydrophobicContact CD1-CE1 3.66Å; F1088-Y1129 HydrophobicContact CD1-CE2 4.44Å; F1088-Y1129 AromaticContact CD1-CZ 3.85Å; F1088-Y1129 HydrophobicContact CE1-CE1 4.29Å; Q1089-Y1129 HydrophobicContact CB-CE2 4.36Å; Q1089-Y1129 PolarHBondContact N-OH 2.99Å; H1090-Y1129 AromaticContact ND1-CD2 3.94Å; H1090-Y1129 AromaticContact ND1-CE2 3.88Å; G1125-Y1129 PolarHBondContact O-N 3.42Å; F1126-Y1129 PolarHBondContact O-N 3.4Å; Y1129-L1131 PolarHBondContact O-N 2.8Å; Y1129-N1132 PolarHBondContact O-N 2.91Å; Y1129-Y1133 PolarHBondContact O-N 3.18Å; Y1129-P1134 PolarHBondContact OH-O 2.88Å |
| 1130 | I | 89.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66 | -22.6 | -177.5 | 66.3 | 174.6 | 0 | 0 | 0 | 113.2 | L891 K892 L894 L1057 F1126 L1127 | L891-I1130 HydrophobicContact CB-CB 4.29Å; L891-I1130 HydrophobicContact CB-CG2 4.1Å; K892-I1130 WeakPolarHBondContact CA-O 3.35Å; K892-I1130 WeakPolarHBondContact CB-O 3.48Å; K892-I1130 PolarHBondContact N-O 3.19Å; L894-I1130 HydrophobicContact CB-CD1 4.34Å; L894-I1130 HydrophobicContact CD1-CG2 4.41Å; L1057-I1130 HydrophobicContact CD1-CD1 4.35Å; F1126-I1130 HydrophobicContact CD2-CG2 4.09Å; F1126-I1130 HydrophobicContact CE1-CD1 4.31Å; F1126-I1130 HydrophobicContact CE2-CG2 3.54Å; F1126-I1130 HydrophobicContact CZ-CD1 4.41Å; F1126-I1130 HydrophobicContact CZ-CG2 3.8Å; F1126-I1130 PolarHBondContact O-N 3.15Å; F1126-I1130 VanDerWaalsContact O-N 3.1Å; L1127-I1130 WeakPolarHBondContact O-CG1 3.35Å |
| 1131 | L | 85.7 | Confident | 87.6 | Confident | 22 Ų | 22 | 15.8 Ų | 15.8 | 12% | 0.115 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -82.9 | -36.3 | 176.6 | -73.7 | 171.4 | 0 | 0 | 0 | 113 | K892 Y895 L1046 L1048 L1127 D1128 Y1129 | K892-L1131 HydrophobicContact CD-CD2 4.29Å; K892-L1131 HydrophobicContact CG-CD2 4.24Å; Y895-L1131 HydrophobicContact CD1-CD2 4.43Å; Y895-L1131 HydrophobicContact CD2-CD1 4.29Å; Y895-L1131 HydrophobicContact CD2-CD2 3.7Å; Y895-L1131 HydrophobicContact CD2-CG 4.13Å; Y895-L1131 HydrophobicContact CE2-CD1 4.27Å; Y895-L1131 HydrophobicContact CE2-CD2 4.19Å; Y895-L1131 HydrophobicContact CG-CD2 3.84Å; L1046-L1131 HydrophobicContact CD1-CD1 4.42Å; L1046-L1131 HydrophobicContact CD2-CD1 3.86Å; L1048-L1131 HydrophobicContact CD1-CD1 4.15Å; L1127-L1131 WeakPolarHBondContact O-CB 3.36Å; L1127-L1131 WeakPolarHBondContact O-CD1 3.23Å; L1127-L1131 WeakPolarHBondContact O-CG 3.16Å; L1127-L1131 PolarHBondContact O-N 2.81Å; D1128-L1131 PolarHBondContact O-N 2.84Å; Y1129-L1131 PolarHBondContact O-N 2.8Å |
| 1132 | N | 81.6 | Confident | 87 | Confident | 65 Ų | 65 | 14 Ų | 14 | 35% | 0.348 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -116.1 | -32.8 | -165.1 | -72.7 | -45.9 | 0 | 0 | 0 | 115.6 | D1128 Y1129 K1478 | D1128-N1132 WeakPolarHBondContact O-CB 3.46Å; D1128-N1132 PolarHBondContact O-N 2.95Å; D1128-N1132 PolarHBondContact OD1-ND2 2.83Å; Y1129-N1132 PolarHBondContact O-N 2.91Å; N1132-K1478 PolarHBondContact O-NZ 2.82Å |
| 1133 | Y | 86.6 | Confident | 86 | Confident | 39 Ų | 39 | 15.8 Ų | 15.8 | 15% | 0.153 | 8% | 0.075 | C | C | . | . | trans | -115.1 | 149.4 | -166.5 | -62.7 | -91.9 | 0 | 0 | 0 | 113 | Y964 W967 M971 Y1129 | Y964-Y1133 WeakPolarHBondContact OH-CE2 3.33Å; W967-Y1133 AromaticContact CH2-CD1 3.58Å; W967-Y1133 HydrophobicContact CH2-CD1 3.58Å; W967-Y1133 HydrophobicContact CH2-CD2 4.44Å; W967-Y1133 AromaticContact CH2-CE1 3.69Å; W967-Y1133 HydrophobicContact CH2-CE1 3.69Å; W967-Y1133 AromaticContact CH2-CG 3.97Å; W967-Y1133 HydrophobicContact CH2-CG 3.97Å; W967-Y1133 HydrophobicContact CZ3-CD1 4.24Å; W967-Y1133 HydrophobicContact CZ3-CD2 4.42Å; W967-Y1133 HydrophobicContact CZ3-CE1 4.07Å; W967-Y1133 HydrophobicContact CZ3-CE2 4.27Å; W967-Y1133 HydrophobicContact CZ3-CG 4.4Å; M971-Y1133 HydrophobicContact CE-CD1 4.47Å; M971-Y1133 HydrophobicContact CE-CE1 3.97Å; M971-Y1133 HydrophobicContact SD-CD1 4.38Å; M971-Y1133 HydrophobicContact SD-CE1 3.73Å; Y1129-Y1133 PolarHBondContact O-N 3.18Å | ||
| 1134 | P | 88.7 | Confident | 84.8 | Confident | 8 Ų | 8 | 17.8 Ų | 17.8 | 5% | 0.052 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 154.9 | 177 | 34.3 | -33.2 | 0 | 0 | 0 | 112.5 | L888 L889 Y890 Y1129 | L888-P1134 HydrophobicContact CB-CB 4.03Å; L888-P1134 HydrophobicContact CD2-CB 4.2Å; L888-P1134 HydrophobicContact CD2-CG 4.03Å; L889-P1134 CarbonylContact O-C 3.5Å; L889-P1134 WeakPolarHBondContact O-CA 3.46Å; Y890-P1134 HydrophobicContact CD1-CB 4.11Å; Y890-P1134 HydrophobicContact CD2-CB 4.46Å; Y890-P1134 HydrophobicContact CE1-CB 3.76Å; Y890-P1134 HydrophobicContact CE1-CG 4.09Å; Y890-P1134 HydrophobicContact CE2-CB 4.13Å; Y890-P1134 HydrophobicContact CG-CB 4.45Å; Y1129-P1134 PolarHBondContact OH-O 2.88Å |
| 1135 | L | 89.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131.5 | 157.5 | -170.7 | 69.9 | 0 | 0 | 0 | 108.5 | L889 L891 I1067 Y1086 R1087 F1088 F1137 | L889-L1135 HydrophobicContact CB-CB 4.46Å; L889-L1135 PolarHBondContact N-O 3.01Å; L889-L1135 PolarHBondContact O-N 2.77Å; L891-L1135 HydrophobicContact CD1-CB 4.37Å; L891-L1135 HydrophobicContact CD2-CB 4.47Å; L891-L1135 HydrophobicContact CD2-CD2 4.41Å; L891-L1135 HydrophobicContact CG-CB 4.39Å; I1067-L1135 HydrophobicContact CD1-CD2 3.35Å; Y1086-L1135 HydrophobicContact CD2-CD2 4.11Å; R1087-L1135 VanDerWaalsContact O-CD1 3.29Å; R1087-L1135 WeakPolarHBondContact O-CD1 3.46Å; F1088-L1135 HydrophobicContact CD1-CD1 3.78Å; F1088-L1135 HydrophobicContact CD2-CD1 3.71Å; F1088-L1135 HydrophobicContact CE1-CD1 3.8Å; F1088-L1135 HydrophobicContact CE2-CD1 3.68Å; F1088-L1135 HydrophobicContact CG-CD1 3.74Å; F1088-L1135 HydrophobicContact CZ-CD1 3.74Å; L1135-F1137 HydrophobicContact CB-CE2 4.14Å; L1135-F1137 HydrophobicContact CD2-CE2 3.61Å; L1135-F1137 HydrophobicContact CD2-CZ 3.64Å; L1135-F1137 HydrophobicContact CG-CE2 3.83Å; L1135-F1137 HydrophobicContact CG-CZ 4.29Å |
| 1136 | E | 88.5 | Confident | 81.5 | Confident | 19 Ų | 19 | 26.5 Ų | 26.5 | 9% | 0.089 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 135.8 | 179.3 | -65.7 | -174.9 | 166.5 | 0 | 0 | 110.6 | L888 Y1086 R1087 Q1089 | L888-E1136 HydrophobicContact CD2-CG 4.05Å; Y1086-E1136 CarbonylContact C-O 3.57Å; Y1086-E1136 WeakPolarHBondContact CA-O 3.35Å; Y1086-E1136 WeakPolarHBondContact CB-O 3.43Å; R1087-E1136 HydrophobicContact CG-CB 4.19Å; R1087-E1136 IonicContact CZ-OE2 3.17Å; R1087-E1136 PolarHBondContact N-O 2.77Å; R1087-E1136 IonicContact NE-OE2 2.75Å; R1087-E1136 PolarHBondContact NE-OE2 2.89Å; R1087-E1136 IonicContact NH2-OE2 3.84Å; R1087-E1136 PolarHBondContact NH2-OE2 3.38Å; R1087-E1136 PolarHBondContact O-N 2.82Å; R1087-E1136 VanDerWaalsContact O-N 3.15Å; Q1089-E1136 HydrophobicContact CG-CG 3.86Å; Q1089-E1136 PolarHBondContact NE2-OE1 3.17Å |
| 1137 | F | 91.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.7 | 171.9 | -70.8 | -100.9 | 0 | 0 | 0 | 109.2 | R886 G887 L889 L917 I919 I1067 I1069 Q1085 Y1086 L1135 | R886-F1137 CarbonylContact C-O 3.52Å; R886-F1137 VanDerWaalsContact CA-O 3.26Å; R886-F1137 WeakPolarHBondContact CA-O 3.49Å; G887-F1137 PolarHBondContact N-O 3.36Å; G887-F1137 PolarHBondContact O-N 2.92Å; L889-F1137 HydrophobicContact CB-CD2 4.17Å; L889-F1137 HydrophobicContact CB-CE2 3.71Å; L889-F1137 HydrophobicContact CD2-CE2 3.64Å; L889-F1137 HydrophobicContact CD2-CZ 3.93Å; L889-F1137 HydrophobicContact CG-CE2 4.35Å; L917-F1137 HydrophobicContact CD2-CB 4.45Å; L917-F1137 HydrophobicContact CD2-CD1 3.86Å; L917-F1137 HydrophobicContact CD2-CG 4.36Å; I919-F1137 HydrophobicContact CD1-CD1 3.91Å; I919-F1137 HydrophobicContact CD1-CD2 3.91Å; I919-F1137 HydrophobicContact CD1-CE1 3.78Å; I919-F1137 HydrophobicContact CD1-CE2 3.76Å; I919-F1137 HydrophobicContact CD1-CG 4Å; I919-F1137 HydrophobicContact CD1-CZ 3.7Å; I919-F1137 HydrophobicContact CG2-CZ 4.27Å; I1067-F1137 HydrophobicContact CG2-CZ 4.2Å; I1069-F1137 HydrophobicContact CD1-CD1 4.4Å; I1069-F1137 HydrophobicContact CD1-CE1 4.03Å; I1069-F1137 HydrophobicContact CG1-CE1 4.21Å; Q1085-F1137 CarbonylContact O-C 3.59Å; Q1085-F1137 WeakPolarHBondContact O-CA 3.25Å; Y1086-F1137 VanDerWaalsContact CB-CD1 3.48Å; Y1086-F1137 HydrophobicContact CD1-CD1 4.27Å; Y1086-F1137 AromaticContact CD1-CE1 3.95Å; Y1086-F1137 HydrophobicContact CD1-CE1 3.95Å; Y1086-F1137 HydrophobicContact CD2-CE1 4.18Å; Y1086-F1137 HydrophobicContact CD2-CZ 4.3Å; Y1086-F1137 HydrophobicContact CG-CD1 4.02Å; Y1086-F1137 AromaticContact CG-CE1 3.65Å; Y1086-F1137 HydrophobicContact CG-CE1 3.65Å; Y1086-F1137 HydrophobicContact CG-CZ 4.17Å; L1135-F1137 HydrophobicContact CB-CE2 4.14Å; L1135-F1137 HydrophobicContact CD2-CE2 3.61Å; L1135-F1137 HydrophobicContact CD2-CZ 3.64Å; L1135-F1137 HydrophobicContact CG-CE2 3.83Å; L1135-F1137 HydrophobicContact CG-CZ 4.29Å |
| 1138 | D | 89.6 | Confident | 76.7 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.4 | 171 | -78.8 | -23.4 | 0 | 0 | 0 | 109.4 | K883 R886 C1084 Q1085 Y1140 | K883-D1138 VanDerWaalsContact CE-CG 3.44Å; K883-D1138 WeakPolarHBondContact CE-OD1 3.28Å; K883-D1138 IonicContact NZ-OD1 3.82Å; K883-D1138 PolarHBondContact NZ-OD1 2.85Å; K883-D1138 IonicContact NZ-OD2 3.28Å; K883-D1138 PolarHBondContact NZ-OD2 3.47Å; R886-D1138 WeakPolarHBondContact CB-OD1 3.03Å; R886-D1138 VanDerWaalsContact CG-OD1 3.24Å; R886-D1138 WeakPolarHBondContact CG-OD1 3.02Å; R886-D1138 IonicContact CZ-OD1 3.73Å; R886-D1138 IonicContact CZ-OD2 2.69Å; R886-D1138 IonicContact NE-OD1 2.81Å; R886-D1138 PolarHBondContact NE-OD1 3.08Å; R886-D1138 IonicContact NE-OD2 3.71Å; R886-D1138 PolarHBondContact NE-OD2 3.14Å; R886-D1138 IonicContact NH2-OD1 3.88Å; R886-D1138 PolarHBondContact NH2-OD1 2.64Å; R886-D1138 IonicContact NH2-OD2 3.31Å; R886-D1138 PolarHBondContact NH2-OD2 3.42Å; C1084-D1138 CarbonylContact C-O 3.59Å; C1084-D1138 WeakPolarHBondContact CA-O 3.48Å; C1084-D1138 PolarHBondContact SG-O 2.99Å; C1084-D1138 VanDerWaalsContact SG-O 3.38Å; Q1085-D1138 PolarHBondContact N-O 3.16Å; Q1085-D1138 PolarHBondContact O-N 2.87Å; Q1085-D1138 VanDerWaalsContact O-O 3.14Å; D1138-Y1140 HydrophobicContact CB-CE2 3.79Å |
| 1139 | V | 88.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.1 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | I884 G885 L906 L917 F1075 V1082 F1083 C1084 | I884-V1139 HydrophobicContact CB-CB 4.49Å; I884-V1139 HydrophobicContact CB-CG1 4.25Å; I884-V1139 HydrophobicContact CD1-CG1 4.08Å; I884-V1139 PolarHBondContact N-O 3.18Å; G885-V1139 PolarHBondContact N-O 3.45Å; G885-V1139 PolarHBondContact O-N 2.94Å; L906-V1139 HydrophobicContact CD1-CB 4.26Å; L906-V1139 HydrophobicContact CD1-CG2 3.7Å; L906-V1139 HydrophobicContact CD2-CG2 3.75Å; L906-V1139 HydrophobicContact CG-CG2 4.39Å; L917-V1139 HydrophobicContact CD1-CG2 4.12Å; F1075-V1139 HydrophobicContact CE1-CG1 4.2Å; F1075-V1139 HydrophobicContact CZ-CG1 3.79Å; V1082-V1139 HydrophobicContact CG1-CG1 3.54Å; F1083-V1139 WeakPolarHBondContact O-CA 3.49Å; C1084-V1139 HydrophobicContact CB-CG2 4.08Å |
| 1140 | Y | 86.6 | Confident | 72.2 | Confident | 56 Ų | 56 | 41.6 Ų | 41.6 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147.9 | -178 | -64.6 | -95.1 | 0 | 0 | 0 | 110.1 | H882 K883 V1082 F1083 Q1085 D1138 | H882-Y1140 CarbonylContact O-C 3.45Å; H882-Y1140 VanDerWaalsContact O-CA 3.22Å; H882-Y1140 WeakPolarHBondContact O-CA 3.42Å; K883-Y1140 HydrophobicContact CB-CD1 3.95Å; K883-Y1140 HydrophobicContact CB-CE1 3.86Å; K883-Y1140 HydrophobicContact CD-CE1 4.44Å; K883-Y1140 HydrophobicContact CG-CD1 4.41Å; K883-Y1140 HydrophobicContact CG-CE1 4.18Å; V1082-Y1140 VanDerWaalsContact CA-O 3.32Å; V1082-Y1140 WeakPolarHBondContact CA-O 3.33Å; V1082-Y1140 WeakPolarHBondContact CG1-O 3.27Å; F1083-Y1140 HydrophobicContact CD2-CD2 4.26Å; F1083-Y1140 VanDerWaalsContact CE1-CB 3.48Å; F1083-Y1140 HydrophobicContact CE1-CG 4.24Å; F1083-Y1140 AromaticContact CE2-CD2 3.58Å; F1083-Y1140 HydrophobicContact CE2-CD2 3.58Å; F1083-Y1140 HydrophobicContact CE2-CE2 4.38Å; F1083-Y1140 AromaticContact CE2-CG 3.9Å; F1083-Y1140 HydrophobicContact CE2-CG 3.9Å; F1083-Y1140 VanDerWaalsContact CZ-CB 3.43Å; F1083-Y1140 HydrophobicContact CZ-CD1 4.42Å; F1083-Y1140 AromaticContact CZ-CD2 3.86Å; F1083-Y1140 HydrophobicContact CZ-CD2 3.86Å; F1083-Y1140 AromaticContact CZ-CG 3.67Å; F1083-Y1140 HydrophobicContact CZ-CG 3.67Å; F1083-Y1140 PolarHBondContact N-O 3.19Å; F1083-Y1140 PolarHBondContact O-N 3.09Å; Q1085-Y1140 HydrophobicContact CB-CE2 4.36Å; Q1085-Y1140 HydrophobicContact CG-CE2 4.38Å; D1138-Y1140 HydrophobicContact CB-CE2 3.79Å |
| 1141 | G | 82.1 | Confident | 69.7 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H882 D1081 F1143 | H882-G1141 PolarHBondContact N-O 3.23Å; H882-G1141 PolarHBondContact O-N 3.39Å; D1081-G1141 CarbonylContact O-C 3.49Å; D1081-G1141 WeakPolarHBondContact O-CA 3.41Å; G1141-F1143 PolarHBondContact O-N 3.02Å |
| 1142 | H | 77.1 | Confident | 67.4 | Low | 42 Ų | 42 | 54 Ų | 54 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 111 | 179.8 | -175.1 | -95.5 | 0 | 0 | 0 | 110.8 | W880 Y881 F1079 T1080 D1081 | W880-H1142 AromaticContact CD1-NE2 3.93Å; W880-H1142 WeakPolarHBondContact O-CA 3.4Å; W880-H1142 PolarHBondContact O-CD2 3.11Å; Y881-H1142 HydrophobicContact CD1-CB 4.1Å; Y881-H1142 HydrophobicContact CE1-CB 3.82Å; F1079-H1142 CarbonylContact C-O 3.53Å; F1079-H1142 VanDerWaalsContact CA-O 3.23Å; F1079-H1142 WeakPolarHBondContact CA-O 3.24Å; T1080-H1142 PolarHBondContact N-O 2.85Å; T1080-H1142 WeakPolarHBondContact OG1-CB 3.42Å; T1080-H1142 PolarHBondContact OG1-ND1 3.25Å; D1081-H1142 HydrophobicContact CB-CB 3.97Å; D1081-H1142 PolarHBondContact O-N 3.49Å |
| 1143 | F | 67.4 | Low | 65.2 | Low | 38 Ų | 38 | 59 Ų | 59 | 17% | 0.167 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.8 | -172.1 | -175 | -97.7 | 0 | 0 | 0 | 111.9 | W880 H882 S1078 F1079 G1141 E1145 | W880-F1143 PolarHBondContact O-N 3.47Å; H882-F1143 HydrophobicContact CB-CB 4.49Å; S1078-F1143 VanDerWaalsContact CB-CE2 3.49Å; F1079-F1143 HydrophobicContact CD1-CB 4.23Å; F1079-F1143 HydrophobicContact CD1-CD2 4.29Å; F1079-F1143 HydrophobicContact CE1-CB 3.96Å; F1079-F1143 AromaticContact CE1-CD2 3.81Å; F1079-F1143 HydrophobicContact CE1-CD2 3.81Å; F1079-F1143 HydrophobicContact CE1-CG 4.38Å; F1079-F1143 HydrophobicContact CZ-CD2 4.05Å; G1141-F1143 PolarHBondContact O-N 3.02Å; F1143-E1145 HydrophobicContact CE1-CB 3.99Å; F1143-E1145 HydrophobicContact CE1-CG 4.44Å |
| 1144 | V | 62.6 | Low | 62.5 | Low | 68 Ų | 68 | 61.3 Ų | 61.3 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | trans | -117.5 | 117.3 | 172.9 | 179 | 0 | 0 | 0 | 0 | 108.6 | S1078 T1080 K1146 | S1078-V1144 PolarHBondContact O-N 3.01Å; T1080-V1144 HydrophobicContact CG2-CB 4.43Å; T1080-V1144 HydrophobicContact CG2-CG2 3.63Å; V1144-K1146 PolarHBondContact O-N 3.15Å; V1144-K1146 VanDerWaalsContact O-N 3.14Å | ||
| 1145 | E | 52.3 | Low | 59.8 | Low | 104 Ų | 104 | 65.8 Ų | 65.8 | 49% | 0.486 | 36% | 0.356 | S | S | . | . | trans | -69.9 | 106.3 | -178.5 | -168.7 | 171.9 | -177.5 | 0 | 0 | 110.2 | F1143 | F1143-E1145 HydrophobicContact CE1-CB 3.99Å; F1143-E1145 HydrophobicContact CE1-CG 4.44Å | ||
| 1146 | K | 48.9 | Very low | 56.8 | Low | 83 Ų | 83 | 72.2 Ų | 72.2 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | trans | -77.4 | 137.1 | 174.6 | -71.3 | -171.1 | 176 | -179.7 | 0 | 110.4 | S1077 V1144 | S1077-K1146 WeakPolarHBondContact O-CE 3.46Å; S1077-K1146 PolarHBondContact O-NZ 2.96Å; S1077-K1146 VanDerWaalsContact O-NZ 3.1Å; S1077-K1146 PolarHBondContact OG-NZ 2.88Å; V1144-K1146 PolarHBondContact O-N 3.15Å; V1144-K1146 VanDerWaalsContact O-N 3.14Å | ||
| 1147 | T | 39.4 | Very low | 54 | Low | 44 Ų | 44 | 79.1 Ų | 79.1 | 27% | 0.27 | 43% | 0.428 | S | S | . | . | trans | -65.7 | 145.9 | -179.5 | 69 | 0 | 0 | 0 | 0 | 111.2 | K751 E1149 D1150 | K751-T1147 WeakPolarHBondContact CE-OG1 3.39Å; T1147-E1149 PolarHBondContact O-N 2.85Å; T1147-D1150 PolarHBondContact O-N 3.47Å | ||
| 1148 | P | 38.6 | Very low | 50.8 | Low | 98 Ų | 98 | 86.7 Ų | 86.7 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 5.6 | -159.1 | 24.9 | -35.8 | 0 | 0 | 0 | 117.6 | ||
| 1149 | E | 40.4 | Very low | 47.8 | Very low | 78 Ų | 78 | 92.4 Ų | 92.4 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -24.2 | 178 | -76.2 | 153 | -96.8 | 0 | 0 | 112.8 | K751 T1147 L1151 Q1152 | K751-E1149 HydrophobicContact CB-CB 4.1Å; K751-E1149 HydrophobicContact CD-CB 4.13Å; K751-E1149 HydrophobicContact CD-CG 4.49Å; K751-E1149 WeakPolarHBondContact CD-OE1 3.48Å; K751-E1149 WeakPolarHBondContact CE-OE1 3.46Å; K751-E1149 HydrophobicContact CG-CB 3.87Å; K751-E1149 IonicContact NZ-OE1 2.83Å; K751-E1149 PolarHBondContact NZ-OE1 2.75Å; T1147-E1149 PolarHBondContact O-N 2.85Å; E1149-L1151 PolarHBondContact O-N 3.32Å; E1149-Q1152 PolarHBondContact O-N 2.98Å |
| 1150 | D | 41.3 | Very low | 44.8 | Very low | 96 Ų | 96 | 99 Ų | 99 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.6 | 177.6 | -64.7 | -31.4 | 0 | 0 | 0 | 113.5 | T1147 | T1147-D1150 PolarHBondContact O-N 3.47Š|
| 1151 | L | 37.1 | Very low | 41.9 | Very low | 124 Ų | 124 | 105.9 Ų | 105.9 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -8.9 | -172.9 | -74.3 | 164 | 0 | 0 | 0 | 114.4 | E1149 | E1149-L1151 PolarHBondContact O-N 3.32Š|
| 1152 | Q | 37.4 | Very low | 39.3 | Very low | 161 Ų | 161 | 108.8 Ų | 108.8 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -90.4 | -13 | -167.5 | -60.4 | -165 | 11.9 | 0 | 0 | 115.7 | E1149 | E1149-Q1152 PolarHBondContact O-N 2.98Š|
| 1153 | I | 35.7 | Very low | 36.9 | Very low | 168 Ų | 168 | 114.3 Ų | 114.3 | 86% | 0.862 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -105.1 | -14.2 | -169.1 | -63.1 | 178.5 | 0 | 0 | 0 | 113.6 | ||
| 1154 | A | 29.7 | Very low | 35.1 | Very low | 88 Ų | 88 | 119.7 Ų | 119.7 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | trans | -130.9 | 78.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1155 | S | 31.3 | Very low | 33.6 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | trans | -167.1 | 46.5 | 158.8 | 48.8 | 0 | 0 | 0 | 0 | 116.2 | Q1157 | S1155-Q1157 PolarHBondContact O-N 3.16Š| ||
| 1156 | T | 28 | Very low | 32.6 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 83% | 0.834 | 63% | 0.626 | S | S | * | * | trans | -65 | 131.7 | 149.8 | 47.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1157 | Q | 28.1 | Very low | 31.6 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 77% | 0.766 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 84.7 | 110.5 | -178.4 | -49.2 | -178.5 | 18.3 | 0 | 0 | 116.9 | S1155 | S1155-Q1157 PolarHBondContact O-N 3.16Š|
| 1158 | N | 24.8 | Very low | 31.2 | Very low | 159 Ų | 159 | 117.1 Ų | 117.1 | 85% | 0.85 | 62% | 0.619 | S | S | * | * | trans | 63.9 | 51.3 | 138.2 | -56.3 | -22.9 | 0 | 0 | 0 | 119.6 | ||||
| 1159 | V | 27.7 | Very low | 31 | Very low | 131 Ų | 131 | 117.6 Ų | 117.6 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | trans | -112.2 | 123.5 | 145.9 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | K1161 | V1159-K1161 PolarHBondContact O-N 3.13Š| ||
| 1160 | L | 25.4 | Very low | 30.9 | Very low | 139 Ų | 139 | 115.4 Ų | 115.4 | 73% | 0.728 | 61% | 0.614 | S | S | * | * | trans | -64.5 | 119.3 | 176.2 | -73.7 | 154 | 0 | 0 | 0 | 109.2 | C1162 | L1160-C1162 PolarHBondContact O-N 3.31Š| ||
| 1161 | K | 25.4 | Very low | 31.1 | Very low | 201 Ų | 201 | 111.9 Ų | 111.9 | 87% | 0.874 | 60% | 0.595 | S | S | * | * | trans | -56.8 | 109.3 | 163 | -83.3 | -166.1 | 171.8 | -168.7 | 0 | 107.5 | V1159 | V1159-K1161 PolarHBondContact O-N 3.13Š| ||
| 1162 | C | 26.4 | Very low | 31.5 | Very low | 61 Ų | 61 | 108.8 Ų | 108.8 | 41% | 0.412 | 58% | 0.583 | S | S | . | * | trans | -65.7 | 148.8 | -174 | -73 | 0 | 0 | 0 | 0 | 110.8 | S912 L1160 R1164 | S912-C1162 VanDerWaalsContact CB-SG 3.54Å; L1160-C1162 PolarHBondContact O-N 3.31Å; C1162-R1164 PolarHBondContact O-N 3.39Å | ||
| 1163 | Y | 27.6 | Very low | 32.2 | Very low | 157 Ų | 157 | 103.4 Ų | 103.4 | 62% | 0.616 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -70.2 | 27.9 | -163.1 | -76.3 | -95.2 | 0 | 0 | 0 | 116 | H1165 C1166 | Y1163-H1165 VanDerWaalsContact C-N 3.31Å; Y1163-H1165 PolarHBondContact O-N 2.87Å; Y1163-C1166 HydrophobicContact CD1-CB 4.35Å; Y1163-C1166 WeakPolarHBondContact O-CB 3.31Å; Y1163-C1166 PolarHBondContact O-N 2.9Å |
| 1164 | R | 28.4 | Very low | 33.6 | Very low | 151 Ų | 151 | 96.2 Ų | 96.2 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -66.1 | -25.6 | 178.2 | -85.7 | -170.2 | 167.7 | 158.2 | 2.5 | 114.2 | H910 C1162 C1166 | H910-R1164 PolarHBondContact CD2-NH2 3.3Å; H910-R1164 VanDerWaalsContact CD2-NH2 3.34Å; H910-R1164 PolarHBondContact CE1-NH2 3.36Å; H910-R1164 PolarHBondContact NE2-NH2 2.79Å; C1162-R1164 PolarHBondContact O-N 3.39Å; R1164-C1166 PolarHBondContact O-N 3.06Å |
| 1165 | H | 31.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 93.2 Ų | 93.2 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -80 | 8.7 | 170.1 | -64.8 | -52.1 | 0 | 0 | 0 | 114.1 | D861 Y1163 | D861-H1165 IonicContact OD1-CE1 2.66Å; Y1163-H1165 VanDerWaalsContact C-N 3.31Å; Y1163-H1165 PolarHBondContact O-N 2.87Å |
| 1166 | C | 31.1 | Very low | 37.5 | Very low | 41 Ų | 41 | 90.9 Ų | 90.9 | 28% | 0.277 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -113 | 24.8 | 171.1 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | Y1163 R1164 P1168 E1224 | Y1163-C1166 HydrophobicContact CD1-CB 4.35Å; Y1163-C1166 WeakPolarHBondContact O-CB 3.31Å; Y1163-C1166 PolarHBondContact O-N 2.9Å; R1164-C1166 PolarHBondContact O-N 3.06Å; C1166-P1168 WeakPolarHBondContact O-CD 3.35Å; C1166-E1224 PolarHBondContact SG-OE1 3.2Å |
| 1167 | V | 29.2 | Very low | 40.1 | Very low | 66 Ų | 66 | 84.4 Ų | 84.4 | 40% | 0.4 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -104.5 | 99.9 | 164.7 | -175 | 0 | 0 | 0 | 0 | 107.9 | ||
| 1168 | P | 30.5 | Very low | 42.5 | Very low | 13 Ų | 13 | 79 Ų | 79 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | trans | -59.7 | 133.7 | 172.9 | -24 | 32.8 | 0 | 0 | 0 | 110.9 | C1166 T1170 L1222 E1224 T1225 Q1228 | C1166-P1168 WeakPolarHBondContact O-CD 3.35Å; P1168-T1170 PolarHBondContact O-N 2.9Å; P1168-L1222 HydrophobicContact CB-CD1 3.79Å; P1168-L1222 HydrophobicContact CG-CB 4.44Å; P1168-L1222 HydrophobicContact CG-CD1 4.07Å; P1168-E1224 HydrophobicContact CG-CB 3.9Å; P1168-T1225 HydrophobicContact CB-CG2 3.95Å; P1168-T1225 HydrophobicContact CG-CG2 3.76Å; P1168-T1225 WeakPolarHBondContact CG-OG1 3.46Å; P1168-Q1228 PolarHBondContact O-NE2 3.01Å | ||
| 1169 | P | 33.7 | Very low | 45 | Very low | 108 Ų | 108 | 73.1 Ų | 73.1 | 70% | 0.701 | 40% | 0.395 | S | S | * | . | trans | -56.5 | 114.6 | -169.3 | 21.7 | -33.9 | 0 | 0 | 0 | 111.2 | ||||
| 1170 | T | 39.3 | Very low | 47.4 | Very low | 31 Ų | 31 | 71.7 Ų | 71.7 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 128.9 | -172.5 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | P1168 P1172 S1458 | P1168-T1170 PolarHBondContact O-N 2.9Å; T1170-P1172 WeakPolarHBondContact O-CD 3.46Å; T1170-P1172 VanDerWaalsContact O-N 3.11Å; T1170-S1458 VanDerWaalsContact CB-OG 3.23Å; T1170-S1458 WeakPolarHBondContact CB-OG 3.39Å; T1170-S1458 WeakPolarHBondContact OG1-CB 3.48Å; T1170-S1458 PolarHBondContact OG1-OG 3.28Å |
| 1171 | L | 44.2 | Very low | 49.6 | Very low | 22 Ų | 22 | 71.8 Ų | 71.8 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 117.3 | 173.6 | -87.6 | 161.2 | 0 | 0 | 0 | 109.5 | S1173 P1285 Y1344 D1365 A1367 | L1171-S1173 PolarHBondContact O-N 2.83Å; L1171-P1285 HydrophobicContact CD2-CB 3.57Å; L1171-P1285 HydrophobicContact CG-CB 4.47Å; L1171-Y1344 HydrophobicContact CD1-CD1 4.01Å; L1171-Y1344 HydrophobicContact CD1-CE1 4Å; L1171-Y1344 HydrophobicContact CD2-CD1 3.58Å; L1171-Y1344 HydrophobicContact CD2-CE1 3.73Å; L1171-Y1344 HydrophobicContact CD2-CG 4.45Å; L1171-Y1344 HydrophobicContact CG-CD1 4.29Å; L1171-Y1344 HydrophobicContact CG-CE1 4.13Å; L1171-D1365 HydrophobicContact CB-CB 4.4Å; L1171-D1365 HydrophobicContact CD1-CB 4.08Å; L1171-D1365 HydrophobicContact CD2-CB 4.09Å; L1171-D1365 HydrophobicContact CG-CB 4.43Å; L1171-A1367 HydrophobicContact CD1-CB 4.44Å |
| 1172 | P | 46.5 | Very low | 51.5 | Low | 60 Ų | 60 | 64 Ų | 64 | 39% | 0.39 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 133.8 | 172.9 | 26.8 | -33 | 0 | 0 | 0 | 107.7 | T1170 S1174 | T1170-P1172 WeakPolarHBondContact O-CD 3.46Å; T1170-P1172 VanDerWaalsContact O-N 3.11Å; P1172-S1174 PolarHBondContact O-N 3.18Å |
| 1173 | S | 52.7 | Low | 52.7 | Low | 47 Ų | 47 | 66.2 Ų | 66.2 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | trans | -69.7 | 100.5 | -178.4 | 42.8 | 0 | 0 | 0 | 0 | 109.5 | L1171 | L1171-S1173 PolarHBondContact O-N 2.83Š| ||
| 1174 | S | 65.2 | Low | 53.4 | Low | 17 Ų | 17 | 66.7 Ų | 66.7 | 12% | 0.119 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 149.5 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | P1172 R1282 T1346 T1363 D1365 | P1172-S1174 PolarHBondContact O-N 3.18Å; S1174-R1282 PolarHBondContact OG-NH2 3.12Å; S1174-T1346 PolarHBondContact OG-OG1 3.41Å; S1174-T1363 WeakPolarHBondContact O-CG2 3.35Å; S1174-D1365 WeakPolarHBondContact CB-OD2 3.43Å; S1174-D1365 PolarHBondContact N-OD2 3.23Å; S1174-D1365 VanDerWaalsContact N-OD2 3.1Å; S1174-D1365 PolarHBondContact OG-OD1 2.81Å; S1174-D1365 PolarHBondContact OG-OD2 3.34Å |
| 1175 | A | 69.1 | Low | 54 | Low | 25 Ų | 25 | 62.9 Ų | 62.9 | 21% | 0.207 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 161.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1177 R1280 | A1175-V1177 PolarHBondContact O-N 2.67Å; A1175-R1280 PolarHBondContact O-NH1 3.17Å |
| 1176 | P | 73.9 | Confident | 54.6 | Low | 53 Ų | 53 | 62.6 Ų | 62.6 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 135.3 | 166.9 | -29.9 | 37.9 | 0 | 0 | 0 | 112 | R1280 S1348 | P1176-R1280 PolarHBondContact O-NH2 2.96Å; P1176-S1348 WeakPolarHBondContact CA-OG 3.2Å |
| 1177 | V | 82.5 | Confident | 54.9 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 124.4 | 164.2 | 179.6 | 0 | 0 | 0 | 0 | 106.5 | A1175 V1277 I1296 T1346 S1348 Y1350 | A1175-V1177 PolarHBondContact O-N 2.67Å; V1177-V1277 HydrophobicContact CB-CG2 4.09Å; V1177-V1277 HydrophobicContact CG1-CB 4.08Å; V1177-V1277 HydrophobicContact CG1-CG2 4.09Å; V1177-V1277 WeakPolarHBondContact O-CG2 3.45Å; V1177-I1296 HydrophobicContact CG1-CB 4.28Å; V1177-I1296 HydrophobicContact CG1-CD1 3.88Å; V1177-I1296 HydrophobicContact CG1-CG1 3.8Å; V1177-I1296 HydrophobicContact CG1-CG2 3.55Å; V1177-T1346 HydrophobicContact CG2-CG2 3.57Å; V1177-S1348 PolarHBondContact N-OG 2.8Å; V1177-Y1350 PolarHBondContact O-OH 3.44Å; V1177-Y1350 VanDerWaalsContact O-OH 3.06Å |
| 1178 | P | 78.7 | Confident | 55.4 | Low | 51 Ų | 51 | 71.4 Ų | 71.4 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 135.2 | -178.2 | -31.5 | 35 | 0 | 0 | 0 | 113.4 | D1291 I1296 | P1178-D1291 VanDerWaalsContact CD-OD2 3.27Å; P1178-D1291 WeakPolarHBondContact CD-OD2 3.21Å; P1178-D1291 WeakPolarHBondContact CG-OD2 3.31Å; P1178-I1296 HydrophobicContact CB-CD1 4.45Å; P1178-I1296 HydrophobicContact CG-CD1 4.26Å |
| 1179 | P | 77.2 | Confident | 55.9 | Low | 35 Ų | 35 | 79.7 Ų | 79.7 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 144.9 | 175.2 | 31.8 | -32.1 | 0 | 0 | 0 | 109.5 | L1182 E1275 Y1350 | P1179-L1182 HydrophobicContact CB-CB 3.93Å; P1179-L1182 HydrophobicContact CB-CD1 3.79Å; P1179-L1182 HydrophobicContact CB-CG 4.46Å; P1179-L1182 HydrophobicContact CG-CB 3.78Å; P1179-L1182 HydrophobicContact CG-CD1 4.18Å; P1179-E1275 WeakPolarHBondContact CA-OE2 3.35Å; P1179-E1275 VanDerWaalsContact CB-OE2 3.28Å; P1179-E1275 WeakPolarHBondContact CB-OE2 3.47Å; P1179-Y1350 HydrophobicContact CB-CD2 4.22Å; P1179-Y1350 HydrophobicContact CB-CE1 4.41Å; P1179-Y1350 HydrophobicContact CB-CE2 3.89Å; P1179-Y1350 WeakPolarHBondContact CD-OH 3.49Å; P1179-Y1350 HydrophobicContact CG-CE1 4.29Å; P1179-Y1350 HydrophobicContact CG-CE2 4.45Å |
| 1180 | L | 78 | Confident | 56.3 | Low | 101 Ų | 101 | 77 Ų | 77 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -98.4 | -10.8 | 178.4 | -64.2 | 179.2 | 0 | 0 | 0 | 112.7 | E1275 V1277 I1296 | L1180-E1275 PolarHBondContact N-OE2 3.07Å; L1180-V1277 HydrophobicContact CD1-CG1 4.36Å; L1180-V1277 HydrophobicContact CG-CG1 4.11Å; L1180-I1296 HydrophobicContact CD1-CG2 4Å; L1180-I1296 HydrophobicContact CD2-CG2 4.29Å; L1180-I1296 HydrophobicContact CG-CG2 4.07Å |
| 1181 | R | 71.2 | Confident | 56.7 | Low | 142 Ų | 142 | 77.9 Ų | 77.9 | 54% | 0.536 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -118.3 | -14.8 | -178.2 | -67.6 | 173.4 | -173.5 | 141 | 11.2 | 114.8 | E1275 S1298 | R1181-E1275 WeakPolarHBondContact CD-OE1 3.47Å; R1181-E1275 VanDerWaalsContact CG-OE1 3.24Å; R1181-E1275 WeakPolarHBondContact CG-OE1 3.04Å; R1181-E1275 PolarHBondContact N-OE1 3.04Å; R1181-E1275 PolarHBondContact N-OE2 3.33Å; R1181-E1275 IonicContact NE-OE1 2.69Å; R1181-S1298 PolarHBondContact NH1-OG 2.82Å; R1181-S1298 PolarHBondContact NH2-OG 2.8Å; R1181-S1298 VanDerWaalsContact NH2-OG 3.1Å |
| 1182 | L | 63.8 | Low | 56.9 | Low | 37 Ų | 37 | 84.8 Ų | 84.8 | 19% | 0.194 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -84.8 | 120.1 | 166.8 | -78.2 | 130 | 0 | 0 | 0 | 108.9 | P1179 H1274 Y1350 P1359 | P1179-L1182 HydrophobicContact CB-CB 3.93Å; P1179-L1182 HydrophobicContact CB-CD1 3.79Å; P1179-L1182 HydrophobicContact CB-CG 4.46Å; P1179-L1182 HydrophobicContact CG-CB 3.78Å; P1179-L1182 HydrophobicContact CG-CD1 4.18Å; L1182-H1274 HydrophobicContact CD1-CB 4.5Å; L1182-Y1350 HydrophobicContact CD1-CD1 3.96Å; L1182-Y1350 HydrophobicContact CD1-CG 4.02Å; L1182-P1359 HydrophobicContact CD1-CG 3.91Å; L1182-P1359 HydrophobicContact CD2-CG 3.73Å; L1182-P1359 HydrophobicContact CG-CG 4.48Å |
| 1183 | S | 51.6 | Low | 57.3 | Low | 108 Ų | 108 | 85.1 Ų | 85.1 | 76% | 0.755 | 46% | 0.462 | S | S | * | . | trans | -59.3 | 149.5 | 162.1 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | S1185 | S1183-S1185 VanDerWaalsContact C-N 3.34Å; S1183-S1185 PolarHBondContact O-N 3.35Å | ||
| 1184 | N | 43.8 | Very low | 57.5 | Low | 166 Ų | 166 | 86.2 Ų | 86.2 | 89% | 0.888 | 47% | 0.466 | S | S | * | . | trans | -58.1 | 89.9 | -175.2 | -74.6 | -15.8 | 0 | 0 | 0 | 112 | ||||
| 1185 | S | 41.6 | Very low | 57.3 | Low | 72 Ų | 72 | 88.3 Ų | 88.3 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | trans | -78.2 | 125.9 | 176.3 | -165.9 | 0 | 0 | 0 | 0 | 108.9 | S1183 T1187 Q1358 | S1183-S1185 VanDerWaalsContact C-N 3.34Å; S1183-S1185 PolarHBondContact O-N 3.35Å; S1185-T1187 PolarHBondContact O-N 2.92Å; S1185-Q1358 PolarHBondContact OG-NE2 3.47Å | ||
| 1186 | E | 42.8 | Very low | 57 | Low | 120 Ų | 120 | 93.5 Ų | 93.5 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | trans | -54.2 | 133.6 | -170.7 | -60.3 | 173.4 | 134 | 0 | 0 | 112.2 | F1188 | E1186-F1188 VanDerWaalsContact C-N 3.29Å; E1186-F1188 HydrophobicContact CB-CD2 4.29Å; E1186-F1188 HydrophobicContact CB-CE2 3.82Å; E1186-F1188 HydrophobicContact CB-CZ 4.16Å; E1186-F1188 WeakPolarHBondContact O-CD2 3.49Å; E1186-F1188 PolarHBondContact O-N 3.1Å; E1186-F1188 WeakPolarHBondContact OE2-CZ 3.28Å | ||
| 1187 | T | 37.6 | Very low | 56.6 | Low | 142 Ų | 142 | 93.7 Ų | 93.7 | 87% | 0.871 | 48% | 0.483 | S | S | * | . | trans | -75.4 | 79.7 | 178.3 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | S1185 K1189 | S1185-T1187 PolarHBondContact O-N 2.92Å; T1187-K1189 PolarHBondContact O-N 2.88Å | ||
| 1188 | F | 38.7 | Very low | 55.9 | Low | 149 Ų | 149 | 98.9 Ų | 98.9 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | trans | -59.7 | 126.7 | 178.7 | -75.4 | -79.7 | 0 | 0 | 0 | 111.8 | E1186 S1190 | E1186-F1188 VanDerWaalsContact C-N 3.29Å; E1186-F1188 HydrophobicContact CB-CD2 4.29Å; E1186-F1188 HydrophobicContact CB-CE2 3.82Å; E1186-F1188 HydrophobicContact CB-CZ 4.16Å; E1186-F1188 WeakPolarHBondContact O-CD2 3.49Å; E1186-F1188 PolarHBondContact O-N 3.1Å; E1186-F1188 WeakPolarHBondContact OE2-CZ 3.28Å; F1188-S1190 PolarHBondContact O-N 3.41Å | ||
| 1189 | K | 41.1 | Very low | 55.6 | Low | 188 Ų | 188 | 96.6 Ų | 96.6 | 82% | 0.817 | 50% | 0.495 | S | S | * | . | trans | -70 | 100.8 | -177.9 | -69.2 | 179 | 179.1 | 175.5 | 0 | 111.2 | T1187 | T1187-K1189 PolarHBondContact O-N 2.88Š| ||
| 1190 | S | 43.1 | Very low | 55.5 | Low | 51 Ų | 51 | 96.4 Ų | 96.4 | 36% | 0.357 | 49% | 0.492 | S | S | . | . | trans | 38.1 | 95.6 | 169 | 69.3 | 0 | 0 | 0 | 0 | 116.6 | F1188 K1450 | F1188-S1190 PolarHBondContact O-N 3.41Å; S1190-K1450 VanDerWaalsContact OG-CD 3.3Å; S1190-K1450 WeakPolarHBondContact OG-CD 3.19Å; S1190-K1450 WeakPolarHBondContact OG-CE 3.31Å; S1190-K1450 PolarHBondContact OG-NZ 3.32Å | ||
| 1191 | S | 46.6 | Very low | 55.7 | Low | 50 Ų | 50 | 91.6 Ų | 91.6 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | trans | -62.2 | 158.3 | 151.1 | 35.8 | 0 | 0 | 0 | 0 | 111.5 | H1422 | S1191-H1422 WeakPolarHBondContact CB-O 3.46Š| ||
| 1192 | E | 49 | Very low | 56.5 | Low | 166 Ų | 166 | 88.2 Ų | 88.2 | 78% | 0.776 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.6 | 168.7 | -174.5 | 170.9 | -150.3 | 0 | 0 | 109.8 | V1194 G1421 H1422 | E1192-V1194 PolarHBondContact O-N 3.32Å; E1192-G1421 CarbonylContact O-C 3.59Å; E1192-G1421 WeakPolarHBondContact O-CA 3.41Å; E1192-H1422 PolarHBondContact O-N 3.03Å |
| 1193 | I | 54.2 | Low | 57.7 | Low | 68 Ų | 68 | 86.8 Ų | 86.8 | 35% | 0.349 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 115.2 | -177.1 | -58.4 | 159.8 | 0 | 0 | 0 | 108.7 | R1196 Q1419 | I1193-R1196 HydrophobicContact CG2-CG 4.03Å; I1193-Q1419 HydrophobicContact CG2-CB 4.24Å |
| 1194 | V | 57.6 | Low | 59.6 | Low | 69 Ų | 69 | 82.9 Ų | 82.9 | 42% | 0.418 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -41.5 | -177.4 | -158.8 | 0 | 0 | 0 | 0 | 111.2 | E1192 L1420 H1422 | E1192-V1194 PolarHBondContact O-N 3.32Å; V1194-L1420 PolarHBondContact N-O 3.48Å; V1194-H1422 HydrophobicContact CG2-CB 3.67Å; V1194-H1422 WeakPolarHBondContact CG2-CD2 3.34Å; V1194-H1422 VanDerWaalsContact CG2-N 3.27Å |
| 1195 | Q | 60.7 | Low | 61.8 | Low | 62 Ų | 62 | 75 Ų | 75 | 29% | 0.29 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 148.8 | -170.8 | -66.4 | 170.6 | -13.9 | 0 | 0 | 110.3 | Y1197 L1420 | Q1195-Y1197 HydrophobicContact CB-CE2 3.81Å; Q1195-Y1197 PolarHBondContact OE1-OH 3.4Å; Q1195-L1420 HydrophobicContact CB-CB 4.31Å; Q1195-L1420 PolarHBondContact N-O 2.85Å; Q1195-L1420 PolarHBondContact O-N 3.31Å |
| 1196 | R | 62.8 | Low | 64.2 | Low | 134 Ų | 134 | 71.9 Ų | 71.9 | 51% | 0.506 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.2 | 172.5 | -69.5 | -171.6 | 177.4 | 132.8 | 3 | 109.9 | I1193 L1418 Q1419 | I1193-R1196 HydrophobicContact CG2-CG 4.03Å; R1196-L1418 CarbonylContact C-O 3.6Å; R1196-L1418 VanDerWaalsContact CA-O 3.26Å; R1196-L1418 WeakPolarHBondContact CA-O 3.45Å; R1196-Q1419 HydrophobicContact CG-CG 4.23Å |
| 1197 | Y | 65.5 | Low | 66.3 | Low | 57 Ų | 57 | 66.8 Ų | 66.8 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 124.7 | 178.5 | -63.2 | -85.5 | 0 | 0 | 0 | 111.3 | Q1195 I1199 C1268 L1418 L1420 | Q1195-Y1197 HydrophobicContact CB-CE2 3.81Å; Q1195-Y1197 PolarHBondContact OE1-OH 3.4Å; Y1197-I1199 PolarHBondContact O-N 2.92Å; Y1197-C1268 HydrophobicContact CD1-CB 4.24Å; Y1197-C1268 HydrophobicContact CD2-CB 4.07Å; Y1197-C1268 HydrophobicContact CE1-CB 3.95Å; Y1197-C1268 HydrophobicContact CE2-CB 3.76Å; Y1197-C1268 HydrophobicContact CG-CB 4.3Å; Y1197-L1418 HydrophobicContact CD2-CD2 4.27Å; Y1197-L1418 HydrophobicContact CD2-CG 4.44Å; Y1197-L1418 PolarHBondContact N-O 3.17Å; Y1197-L1418 PolarHBondContact O-N 3.29Å; Y1197-L1420 HydrophobicContact CD2-CD1 4.49Å; Y1197-L1420 HydrophobicContact CE2-CD1 3.99Å |
| 1198 | D | 67.4 | Low | 68.7 | Low | 108 Ų | 108 | 62 Ų | 62 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 103.1 | 171.5 | -76.5 | -38 | 0 | 0 | 0 | 110.8 | V1415 | D1198-V1415 HydrophobicContact CB-CG1 4.35Å |
| 1199 | I | 72.7 | Confident | 70.6 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.3 | 176.1 | -49.1 | 168.4 | 0 | 0 | 0 | 109 | Y1197 V1201 L1245 F1270 V1415 Y1416 L1418 | Y1197-I1199 PolarHBondContact O-N 2.92Å; I1199-V1201 HydrophobicContact CB-CG2 4.42Å; I1199-V1201 HydrophobicContact CG2-CG2 3.71Å; I1199-L1245 HydrophobicContact CG2-CB 3.85Å; I1199-L1245 HydrophobicContact CG2-CD2 4.3Å; I1199-F1270 HydrophobicContact CD1-CE1 4.02Å; I1199-F1270 HydrophobicContact CD1-CZ 3.54Å; I1199-F1270 HydrophobicContact CG1-CZ 4.13Å; I1199-V1415 CarbonylContact O-C 3.59Å; I1199-V1415 VanDerWaalsContact O-CA 3.3Å; I1199-V1415 WeakPolarHBondContact O-CA 3.43Å; I1199-V1415 WeakPolarHBondContact O-CG1 3.42Å; I1199-Y1416 PolarHBondContact N-O 2.95Å; I1199-Y1416 PolarHBondContact O-N 2.93Å; I1199-L1418 HydrophobicContact CD1-CB 3.62Å; I1199-L1418 HydrophobicContact CD1-CD2 4.03Å; I1199-L1418 HydrophobicContact CD1-CG 4.43Å; I1199-L1418 HydrophobicContact CG1-CB 4.18Å |
| 1200 | L | 76.3 | Confident | 72.2 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135 | 166.4 | 178.1 | 71.3 | 0 | 0 | 0 | 108.6 | L1245 V1246 T1413 V1415 | L1200-L1245 CarbonylContact O-C 3.51Å; L1200-V1246 HydrophobicContact CB-CB 4.23Å; L1200-V1246 HydrophobicContact CD2-CB 4.47Å; L1200-V1246 PolarHBondContact N-O 3.34Å; L1200-V1246 PolarHBondContact O-N 2.94Å; L1200-T1413 HydrophobicContact CD1-CG2 3.55Å; L1200-T1413 HydrophobicContact CG-CG2 4.43Å; L1200-V1415 HydrophobicContact CD1-CG2 3.97Å |
| 1201 | V | 82.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.9 | -176.8 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | I1199 F1203 I1243 T1244 L1245 M1362 T1413 S1414 Y1416 | I1199-V1201 HydrophobicContact CB-CG2 4.42Å; I1199-V1201 HydrophobicContact CG2-CG2 3.71Å; V1201-F1203 HydrophobicContact CB-CE2 4.06Å; V1201-F1203 HydrophobicContact CB-CZ 4.34Å; V1201-F1203 HydrophobicContact CG1-CD2 4.16Å; V1201-F1203 HydrophobicContact CG1-CE1 4.1Å; V1201-F1203 HydrophobicContact CG1-CE2 3.53Å; V1201-F1203 HydrophobicContact CG1-CZ 3.5Å; V1201-F1203 VanDerWaalsContact CG1-CZ 3.5Å; V1201-I1243 HydrophobicContact CG1-CG2 3.72Å; V1201-T1244 CarbonylContact C-O 3.55Å; V1201-T1244 VanDerWaalsContact CA-O 3.32Å; V1201-T1244 WeakPolarHBondContact CA-O 3.38Å; V1201-L1245 HydrophobicContact CB-CD2 4.45Å; V1201-L1245 HydrophobicContact CG1-CD2 3.99Å; V1201-L1245 HydrophobicContact CG2-CD2 3.61Å; V1201-M1362 HydrophobicContact CG1-CE 4.45Å; V1201-M1362 HydrophobicContact CG1-SD 4.08Å; V1201-M1362 HydrophobicContact CG2-SD 3.89Å; V1201-T1413 WeakPolarHBondContact O-CA 3.41Å; V1201-S1414 PolarHBondContact N-O 2.95Å; V1201-S1414 PolarHBondContact O-N 2.97Å; V1201-Y1416 HydrophobicContact CB-CD2 3.91Å; V1201-Y1416 HydrophobicContact CB-CE2 3.88Å; V1201-Y1416 HydrophobicContact CG1-CE2 4.34Å; V1201-Y1416 HydrophobicContact CG2-CD2 3.44Å; V1201-Y1416 VanDerWaalsContact CG2-CD2 3.44Å; V1201-Y1416 HydrophobicContact CG2-CE2 3.87Å; V1201-Y1416 HydrophobicContact CG2-CG 4.42Å |
| 1202 | W | 86.6 | Confident | 75.2 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.3 | 172.6 | -50.4 | -22 | 0 | 0 | 0 | 110.1 | I1243 T1244 V1246 H1411 | W1202-I1243 CarbonylContact O-C 3.59Å; W1202-I1243 VanDerWaalsContact O-CA 3.31Å; W1202-I1243 WeakPolarHBondContact O-CA 3.1Å; W1202-T1244 HydrophobicContact CE3-CG2 4.14Å; W1202-T1244 HydrophobicContact CZ3-CG2 4.46Å; W1202-T1244 PolarHBondContact N-O 3.27Å; W1202-T1244 PolarHBondContact O-N 2.95Å; W1202-V1246 HydrophobicContact CZ2-CG2 4.24Å; W1202-H1411 HydrophobicContact CB-CB 4.43Å |
| 1203 | F | 89.4 | Confident | 76.6 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.1 | 174.8 | -61.9 | -86.1 | 0 | 0 | 0 | 109.8 | V1201 F1231 I1243 M1347 K1364 H1411 V1412 Y1416 | V1201-F1203 HydrophobicContact CB-CE2 4.06Å; V1201-F1203 HydrophobicContact CB-CZ 4.34Å; V1201-F1203 HydrophobicContact CG1-CD2 4.16Å; V1201-F1203 HydrophobicContact CG1-CE1 4.1Å; V1201-F1203 HydrophobicContact CG1-CE2 3.53Å; V1201-F1203 HydrophobicContact CG1-CZ 3.5Å; V1201-F1203 VanDerWaalsContact CG1-CZ 3.5Å; F1203-F1231 WeakPolarHBondContact O-CZ 3.1Å; F1203-I1243 HydrophobicContact CD1-CD1 4.23Å; F1203-I1243 HydrophobicContact CD1-CG1 3.96Å; F1203-I1243 HydrophobicContact CD1-CG2 4.14Å; F1203-I1243 HydrophobicContact CE1-CD1 4.17Å; F1203-I1243 HydrophobicContact CE1-CG1 4.26Å; F1203-I1243 HydrophobicContact CE1-CG2 3.89Å; F1203-M1347 HydrophobicContact CD1-CE 3.56Å; F1203-M1347 HydrophobicContact CE1-CE 3.64Å; F1203-K1364 HydrophobicContact CD1-CB 4.46Å; F1203-K1364 HydrophobicContact CD1-CG 4.23Å; F1203-K1364 HydrophobicContact CD2-CD 4.19Å; F1203-K1364 HydrophobicContact CD2-CG 4.07Å; F1203-K1364 HydrophobicContact CE1-CB 3.86Å; F1203-K1364 HydrophobicContact CE1-CG 4.03Å; F1203-K1364 HydrophobicContact CE2-CB 4.26Å; F1203-K1364 HydrophobicContact CE2-CD 3.87Å; F1203-K1364 HydrophobicContact CE2-CG 3.87Å; F1203-K1364 HydrophobicContact CG-CG 4.25Å; F1203-K1364 HydrophobicContact CZ-CB 3.74Å; F1203-K1364 HydrophobicContact CZ-CD 4.24Å; F1203-K1364 HydrophobicContact CZ-CG 3.85Å; F1203-H1411 CarbonylContact O-C 3.55Å; F1203-H1411 VanDerWaalsContact O-CA 3.26Å; F1203-H1411 WeakPolarHBondContact O-CA 3.34Å; F1203-H1411 WeakPolarHBondContact O-CB 3.38Å; F1203-V1412 HydrophobicContact CB-CB 4.44Å; F1203-V1412 PolarHBondContact N-O 3.14Å; F1203-V1412 PolarHBondContact O-N 3.04Å; F1203-Y1416 AromaticContact CE2-CE2 3.95Å; F1203-Y1416 HydrophobicContact CE2-CE2 3.95Å; F1203-Y1416 AromaticContact CZ-CE2 3.86Å; F1203-Y1416 HydrophobicContact CZ-CE2 3.86Å; F1203-Y1416 AromaticContact CZ-CZ 3.98Å; F1203-Y1416 WeakPolarHBondContact CZ-OH 3.13Å |
| 1204 | E | 91 | Very high | 78.1 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.1 | 177.5 | -70.7 | -177.7 | 131.5 | 0 | 0 | 109.8 | L1206 L1241 A1242 R1318 H1411 | E1204-L1206 HydrophobicContact CB-CD2 3.87Å; E1204-L1241 CarbonylContact O-C 3.58Å; E1204-L1241 WeakPolarHBondContact O-CA 3.4Å; E1204-A1242 HydrophobicContact CB-CB 4.11Å; E1204-A1242 PolarHBondContact N-O 3.2Å; E1204-A1242 PolarHBondContact O-N 3.1Å; E1204-R1318 IonicContact OE2-CZ 2.6Å; E1204-R1318 IonicContact OE2-NH1 2.75Å; E1204-R1318 PolarHBondContact OE2-NH1 3.45Å; E1204-R1318 IonicContact OE2-NH2 2.6Å; E1204-R1318 PolarHBondContact OE2-NH2 3.4Å; E1204-H1411 HydrophobicContact CG-CB 3.64Å |
| 1205 | I | 91.3 | Very high | 79.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.2 | 160 | -53.1 | -171.7 | 0 | 0 | 0 | 106.7 | V1217 F1231 I1233 R1239 R1240 L1241 W1323 I1366 | I1205-V1217 HydrophobicContact CG2-CG2 4.4Å; I1205-V1217 VanDerWaalsContact O-CB 3.28Å; I1205-V1217 WeakPolarHBondContact O-CB 3.39Å; I1205-V1217 VanDerWaalsContact O-CG2 3.31Å; I1205-V1217 WeakPolarHBondContact O-CG2 3.2Å; I1205-V1217 PolarHBondContact O-N 3.16Å; I1205-F1231 HydrophobicContact CB-CD1 3.82Å; I1205-F1231 HydrophobicContact CB-CE1 4.2Å; I1205-F1231 HydrophobicContact CB-CG 4.29Å; I1205-F1231 HydrophobicContact CD1-CB 3.6Å; I1205-F1231 HydrophobicContact CD1-CD1 3.91Å; I1205-F1231 HydrophobicContact CD1-CD2 3.72Å; I1205-F1231 HydrophobicContact CD1-CE2 4.35Å; I1205-F1231 HydrophobicContact CD1-CG 3.47Å; I1205-F1231 VanDerWaalsContact CD1-CG 3.47Å; I1205-F1231 HydrophobicContact CG1-CB 4.25Å; I1205-F1231 HydrophobicContact CG1-CD1 3.58Å; I1205-F1231 HydrophobicContact CG1-CD2 4.03Å; I1205-F1231 HydrophobicContact CG1-CE1 3.83Å; I1205-F1231 HydrophobicContact CG1-CE2 4.24Å; I1205-F1231 HydrophobicContact CG1-CG 3.69Å; I1205-F1231 HydrophobicContact CG1-CZ 4.14Å; I1205-I1233 HydrophobicContact CD1-CG2 4.24Å; I1205-I1233 HydrophobicContact CG2-CG2 4.03Å; I1205-R1239 HydrophobicContact CG2-CB 4.1Å; I1205-R1239 HydrophobicContact CG2-CG 4.18Å; I1205-R1240 WeakPolarHBondContact CA-O 3.19Å; I1205-L1241 HydrophobicContact CB-CD2 4.47Å; I1205-L1241 HydrophobicContact CD1-CD2 4.22Å; I1205-L1241 HydrophobicContact CG1-CD2 3.76Å; I1205-L1241 HydrophobicContact CG2-CD2 4.42Å; I1205-W1323 HydrophobicContact CD1-CZ3 4.07Å; I1205-W1323 HydrophobicContact CG2-CE3 4.33Å; I1205-W1323 HydrophobicContact CG2-CZ3 4.03Å; I1205-I1366 HydrophobicContact CD1-CG2 3.97Å |
| 1206 | L | 90.7 | Very high | 80.6 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.5 | 175 | -43.6 | -179.1 | 0 | 0 | 0 | 109.3 | E1204 Y1214 A1215 P1216 R1239 R1240 A1242 | E1204-L1206 HydrophobicContact CB-CD2 3.87Å; L1206-Y1214 HydrophobicContact CB-CD1 4.09Å; L1206-Y1214 HydrophobicContact CB-CG 4.46Å; L1206-A1215 CarbonylContact C-O 3.56Å; L1206-A1215 WeakPolarHBondContact CA-O 3.31Å; L1206-P1216 HydrophobicContact CD2-CB 3.66Å; L1206-R1239 CarbonylContact O-C 3.5Å; L1206-R1239 WeakPolarHBondContact O-CA 3.17Å; L1206-R1239 WeakPolarHBondContact O-CB 3.26Å; L1206-R1240 HydrophobicContact CB-CB 4.39Å; L1206-R1240 HydrophobicContact CD1-CB 4.35Å; L1206-R1240 HydrophobicContact CG-CB 4.49Å; L1206-R1240 PolarHBondContact N-O 3.41Å; L1206-R1240 PolarHBondContact O-N 3.05Å; L1206-A1242 HydrophobicContact CD1-CB 4.01Å; L1206-A1242 HydrophobicContact CD2-CB 4.47Å; L1206-A1242 HydrophobicContact CG-CB 4.14Å |
| 1207 | E | 88.5 | Confident | 81.7 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.9 | 171.1 | -94 | -174.5 | 172.9 | 0 | 0 | 111.6 | N1209 A1215 V1217 I1233 H1234 I1237 R1239 | E1207-N1209 PolarHBondContact O-N 2.93Å; E1207-N1209 VanDerWaalsContact O-N 3.1Å; E1207-A1215 PolarHBondContact N-O 3.09Å; E1207-A1215 PolarHBondContact O-N 3.02Å; E1207-V1217 HydrophobicContact CB-CG2 3.71Å; E1207-V1217 HydrophobicContact CG-CG2 3.58Å; E1207-I1233 WeakPolarHBondContact OE1-CA 3.29Å; E1207-I1233 WeakPolarHBondContact OE1-CB 3.01Å; E1207-H1234 PolarHBondContact OE1-N 3.12Å; E1207-H1234 IonicContact OE2-CE1 3.94Å; E1207-H1234 IonicContact OE2-CG 2.73Å; E1207-H1234 PolarHBondContact OE2-N 3.06Å; E1207-H1234 IonicContact OE2-ND1 3.48Å; E1207-H1234 PolarHBondContact OE2-ND1 3.36Å; E1207-I1237 HydrophobicContact CB-CG2 4.08Å; E1207-I1237 HydrophobicContact CG-CB 4.34Å; E1207-I1237 HydrophobicContact CG-CG2 3.97Å; E1207-R1239 HydrophobicContact CG-CG 3.58Å; E1207-R1239 IonicContact OE1-CZ 2.98Å; E1207-R1239 IonicContact OE1-NE 3.57Å; E1207-R1239 PolarHBondContact OE1-NE 3.45Å; E1207-R1239 IonicContact OE1-NH2 3.52Å |
| 1208 | L | 86.6 | Confident | 82.5 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 109.4 | 174.4 | -172.5 | 67.5 | 0 | 0 | 0 | 110.4 | G1212 Y1214 I1237 Q1238 | L1208-G1212 VanDerWaalsContact CD1-O 3.26Å; L1208-G1212 WeakPolarHBondContact CD1-O 3.47Å; L1208-Y1214 HydrophobicContact CB-CE1 4.22Å; L1208-Y1214 HydrophobicContact CD1-CD2 4.06Å; L1208-Y1214 HydrophobicContact CD1-CE2 3.75Å; L1208-I1237 HydrophobicContact CB-CG2 4.14Å; L1208-I1237 WeakPolarHBondContact O-CG2 3.39Å; L1208-Q1238 HydrophobicContact CB-CB 4.24Å; L1208-Q1238 HydrophobicContact CD2-CB 4.41Å; L1208-Q1238 PolarHBondContact N-O 2.93Å; L1208-Q1238 VanDerWaalsContact N-O 3.09Å |
| 1209 | N | 79.8 | Confident | 83.1 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | trans | -77.9 | -179.4 | -176.8 | 82.7 | 7.9 | 0 | 0 | 0 | 111.9 | E1207 N1211 G1212 E1213 A1215 | E1207-N1209 PolarHBondContact O-N 2.93Å; E1207-N1209 VanDerWaalsContact O-N 3.1Å; N1209-N1211 PolarHBondContact O-N 3.3Å; N1209-N1211 WeakPolarHBondContact OD1-CA 3.15Å; N1209-N1211 VanDerWaalsContact OD1-CB 3.26Å; N1209-N1211 WeakPolarHBondContact OD1-CB 3.28Å; N1209-N1211 PolarHBondContact OD1-N 2.94Å; N1209-G1212 PolarHBondContact O-N 3.24Å; N1209-G1212 PolarHBondContact OD1-N 2.7Å; N1209-G1212 VanDerWaalsContact OD1-N 3.09Å; N1209-E1213 WeakPolarHBondContact CB-O 3.33Å; N1209-E1213 PolarHBondContact N-O 3.06Å; N1209-E1213 PolarHBondContact ND2-OE2 2.95Å; N1209-E1213 PolarHBondContact OD1-N 2.6Å; N1209-E1213 PolarHBondContact OD1-O 3.07Å; N1209-A1215 HydrophobicContact CB-CB 4.14Å | ||
| 1210 | R | 74.4 | Confident | 83.2 | Confident | 228 Ų | 228 | 46.5 Ų | 46.5 | 86% | 0.86 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -11.4 | -178.5 | -64.4 | -176.1 | -179.2 | -154.2 | -4.1 | 114.7 | ||
| 1211 | N | 76.4 | Confident | 82.9 | Confident | 128 Ų | 128 | 48.3 Ų | 48.3 | 68% | 0.684 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -11.9 | 177.9 | -48.3 | -14.7 | 0 | 0 | 0 | 111.6 | N1209 E1213 | N1209-N1211 PolarHBondContact O-N 3.3Å; N1209-N1211 WeakPolarHBondContact OD1-CA 3.15Å; N1209-N1211 VanDerWaalsContact OD1-CB 3.26Å; N1209-N1211 WeakPolarHBondContact OD1-CB 3.28Å; N1209-N1211 PolarHBondContact OD1-N 2.94Å; N1211-E1213 HydrophobicContact CB-CG 4.16Å; N1211-E1213 VanDerWaalsContact CB-OE2 3.31Å; N1211-E1213 WeakPolarHBondContact CB-OE2 3.33Å; N1211-E1213 PolarHBondContact ND2-OE2 3.35Å |
| 1212 | G | 75.4 | Confident | 81.6 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 52% | 0.515 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 94.2 | 5.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1208 N1209 | L1208-G1212 VanDerWaalsContact CD1-O 3.26Å; L1208-G1212 WeakPolarHBondContact CD1-O 3.47Å; N1209-G1212 PolarHBondContact O-N 3.24Å; N1209-G1212 PolarHBondContact OD1-N 2.7Å; N1209-G1212 VanDerWaalsContact OD1-N 3.09Å |
| 1213 | E | 79.1 | Confident | 79.8 | Confident | 110 Ų | 110 | 50 Ų | 50 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | trans | -94.9 | 147.1 | -179.5 | -49.4 | 155.6 | 127.8 | 0 | 0 | 110.3 | N1209 N1211 A1215 | N1209-E1213 WeakPolarHBondContact CB-O 3.33Å; N1209-E1213 PolarHBondContact N-O 3.06Å; N1209-E1213 PolarHBondContact ND2-OE2 2.95Å; N1209-E1213 PolarHBondContact OD1-N 2.6Å; N1209-E1213 PolarHBondContact OD1-O 3.07Å; N1211-E1213 HydrophobicContact CB-CG 4.16Å; N1211-E1213 VanDerWaalsContact CB-OE2 3.31Å; N1211-E1213 WeakPolarHBondContact CB-OE2 3.33Å; N1211-E1213 PolarHBondContact ND2-OE2 3.35Å; E1213-A1215 PolarHBondContact O-N 3.29Å | ||
| 1214 | Y | 86 | Confident | 77.7 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 18% | 0.184 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 98.1 | 173.6 | -81.4 | -88.3 | 0 | 0 | 0 | 110 | L1206 L1208 Q1238 R1240 | L1206-Y1214 HydrophobicContact CB-CD1 4.09Å; L1206-Y1214 HydrophobicContact CB-CG 4.46Å; L1208-Y1214 HydrophobicContact CB-CE1 4.22Å; L1208-Y1214 HydrophobicContact CD1-CD2 4.06Å; L1208-Y1214 HydrophobicContact CD1-CE2 3.75Å; Y1214-Q1238 HydrophobicContact CE1-CG 4.4Å; Y1214-Q1238 VanDerWaalsContact OH-CG 3.29Å; Y1214-Q1238 WeakPolarHBondContact OH-CG 3.35Å; Y1214-Q1238 PolarHBondContact OH-NE2 2.72Å; Y1214-Q1238 PolarHBondContact OH-OE1 2.9Å; Y1214-Q1238 VanDerWaalsContact OH-OE1 3.05Å; Y1214-R1240 HydrophobicContact CD1-CB 4.43Å; Y1214-R1240 HydrophobicContact CD1-CG 3.85Å; Y1214-R1240 HydrophobicContact CE1-CG 3.74Å; Y1214-R1240 HydrophobicContact CG-CG 4.45Å |
| 1215 | A | 82.7 | Confident | 75.8 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 135.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1206 E1207 N1209 E1213 V1217 | L1206-A1215 CarbonylContact C-O 3.56Å; L1206-A1215 WeakPolarHBondContact CA-O 3.31Å; E1207-A1215 PolarHBondContact N-O 3.09Å; E1207-A1215 PolarHBondContact O-N 3.02Å; N1209-A1215 HydrophobicContact CB-CB 4.14Å; E1213-A1215 PolarHBondContact O-N 3.29Å; A1215-V1217 PolarHBondContact O-N 3.31Å |
| 1216 | P | 87.2 | Confident | 73.5 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 131.2 | -179.9 | 29.4 | -36 | 0 | 0 | 0 | 111.2 | L1206 N1410 | L1206-P1216 HydrophobicContact CD2-CB 3.66Å; P1216-N1410 HydrophobicContact CB-CB 3.69Å; P1216-N1410 HydrophobicContact CG-CB 3.9Å |
| 1217 | V | 86.5 | Confident | 71.4 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 136.5 | -178.1 | 167 | 0 | 0 | 0 | 0 | 110 | I1205 E1207 A1215 V1219 F1231 L1232 I1233 F1377 | I1205-V1217 HydrophobicContact CG2-CG2 4.4Å; I1205-V1217 VanDerWaalsContact O-CB 3.28Å; I1205-V1217 WeakPolarHBondContact O-CB 3.39Å; I1205-V1217 VanDerWaalsContact O-CG2 3.31Å; I1205-V1217 WeakPolarHBondContact O-CG2 3.2Å; I1205-V1217 PolarHBondContact O-N 3.16Å; E1207-V1217 HydrophobicContact CB-CG2 3.71Å; E1207-V1217 HydrophobicContact CG-CG2 3.58Å; A1215-V1217 PolarHBondContact O-N 3.31Å; V1217-V1219 PolarHBondContact O-N 2.85Å; V1217-F1231 HydrophobicContact CG1-CB 4.34Å; V1217-L1232 HydrophobicContact CG1-CB 4.47Å; V1217-L1232 VanDerWaalsContact CG1-O 3.25Å; V1217-L1232 WeakPolarHBondContact CG1-O 3.5Å; V1217-I1233 HydrophobicContact CG1-CG2 4.19Å; V1217-I1233 HydrophobicContact CG2-CG2 4.35Å; V1217-F1377 HydrophobicContact CG1-CZ 4.47Å |
| 1218 | P | 82.8 | Confident | 70.2 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 132.8 | 174.3 | 25.1 | -33.9 | 0 | 0 | 0 | 111.1 | L1232 F1377 | P1218-L1232 HydrophobicContact CG-CB 4.5Å; P1218-L1232 PolarHBondContact O-N 3.15Å; P1218-F1377 VanDerWaalsContact CD-CZ 3.43Å; P1218-F1377 HydrophobicContact CG-CB 4.46Å; P1218-F1377 HydrophobicContact CG-CD1 3.61Å; P1218-F1377 HydrophobicContact CG-CD2 3.7Å; P1218-F1377 HydrophobicContact CG-CE1 3.59Å; P1218-F1377 HydrophobicContact CG-CE2 3.66Å; P1218-F1377 HydrophobicContact CG-CG 3.67Å; P1218-F1377 HydrophobicContact CG-CZ 3.6Å |
| 1219 | V | 80.3 | Confident | 69.6 | Low | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 117.5 | -180 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | V1217 R1221 F1231 V1412 | V1217-V1219 PolarHBondContact O-N 2.85Å; V1219-R1221 HydrophobicContact CB-CG 4.5Å; V1219-R1221 HydrophobicContact CG1-CG 3.8Å; V1219-R1221 PolarHBondContact O-N 2.67Å; V1219-F1231 HydrophobicContact CG2-CD1 3.62Å; V1219-F1231 HydrophobicContact CG2-CE1 3.45Å; V1219-F1231 VanDerWaalsContact CG2-CE1 3.45Å; V1219-F1231 HydrophobicContact CG2-CG 4.42Å; V1219-F1231 HydrophobicContact CG2-CZ 4.15Å; V1219-V1412 HydrophobicContact CG1-CG2 3.78Å; V1219-V1412 HydrophobicContact CG2-CG2 4.46Å |
| 1220 | D | 74.7 | Confident | 69.8 | Low | 30 Ų | 30 | 52.2 Ų | 52.2 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 104 | 171.7 | -165.6 | 32 | 0 | 0 | 0 | 108.4 | G1229 V1230 L1232 P1380 | D1220-G1229 WeakPolarHBondContact O-CA 3.48Å; D1220-V1230 HydrophobicContact CB-CB 4.38Å; D1220-V1230 PolarHBondContact N-O 2.84Å; D1220-V1230 PolarHBondContact O-N 2.77Å; D1220-L1232 HydrophobicContact CB-CD1 4.28Å; D1220-L1232 HydrophobicContact CB-CD2 4.15Å; D1220-L1232 HydrophobicContact CB-CG 4.25Å; D1220-P1380 VanDerWaalsContact OD1-CB 3.27Å; D1220-P1380 WeakPolarHBondContact OD1-CB 3.09Å |
| 1221 | R | 68.6 | Low | 70.5 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 26% | 0.26 | 24% | 0.238 | S | C | . | . | trans | -101.7 | 128.6 | 179.5 | -64.4 | -171.1 | -170.9 | 139.2 | -2.6 | 110.2 | V1219 D1223 E1408 H1411 | V1219-R1221 HydrophobicContact CB-CG 4.5Å; V1219-R1221 HydrophobicContact CG1-CG 3.8Å; V1219-R1221 PolarHBondContact O-N 2.67Å; R1221-D1223 PolarHBondContact O-N 2.77Å; R1221-E1408 VanDerWaalsContact CZ-O 3.23Å; R1221-E1408 PolarHBondContact NH1-O 3.41Å; R1221-E1408 PolarHBondContact NH2-O 2.91Å; R1221-H1411 PolarHBondContact NH2-O 2.82Å | ||
| 1222 | L | 56.3 | Low | 71 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | trans | -72.6 | 118.5 | 159.6 | -56.5 | 171.2 | 0 | 0 | 0 | 106.8 | P1168 E1224 T1225 T1385 | P1168-L1222 HydrophobicContact CB-CD1 3.79Å; P1168-L1222 HydrophobicContact CG-CB 4.44Å; P1168-L1222 HydrophobicContact CG-CD1 4.07Å; L1222-E1224 PolarHBondContact O-N 3.05Å; L1222-T1225 CarbonylContact O-C 3.16Å; L1222-T1225 PolarHBondContact O-N 2.71Å; L1222-T1225 VanDerWaalsContact O-O 3.08Å; L1222-T1385 HydrophobicContact CD2-CG2 3.62Å | ||
| 1223 | D | 48.6 | Very low | 71.7 | Confident | 80 Ų | 80 | 34 Ų | 34 | 43% | 0.428 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -6.2 | -177.7 | -24.7 | -143.2 | 0 | 0 | 0 | 113.3 | R1221 T1225 R1394 | R1221-D1223 PolarHBondContact O-N 2.77Å; D1223-T1225 VanDerWaalsContact C-N 3.29Å; D1223-R1394 VanDerWaalsContact CG-CD 3.41Å; D1223-R1394 VanDerWaalsContact CG-NE 3.26Å; D1223-R1394 VanDerWaalsContact CG-NH1 3.32Å; D1223-R1394 WeakPolarHBondContact OD1-CD 3.37Å; D1223-R1394 IonicContact OD1-CZ 3.45Å; D1223-R1394 IonicContact OD1-NE 3.49Å; D1223-R1394 PolarHBondContact OD1-NE 3.05Å; D1223-R1394 WeakPolarHBondContact OD2-CD 3.4Å; D1223-R1394 IonicContact OD2-CZ 3.26Å; D1223-R1394 IonicContact OD2-NE 2.77Å; D1223-R1394 PolarHBondContact OD2-NE 3.19Å; D1223-R1394 IonicContact OD2-NH1 3.38Å; D1223-R1394 PolarHBondContact OD2-NH1 2.95Å |
| 1224 | E | 45.3 | Very low | 72.1 | Confident | 45 Ų | 45 | 29.5 Ų | 29.5 | 21% | 0.21 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -13.5 | 170 | -61.2 | -174.8 | 163.5 | 0 | 0 | 111.6 | C1166 P1168 L1222 R1390 | C1166-E1224 PolarHBondContact SG-OE1 3.2Å; P1168-E1224 HydrophobicContact CG-CB 3.9Å; L1222-E1224 PolarHBondContact O-N 3.05Å; E1224-R1390 IonicContact OE1-CZ 2.73Å; E1224-R1390 VanDerWaalsContact OE1-CZ 3.32Å; E1224-R1390 IonicContact OE1-NH1 2.72Å; E1224-R1390 PolarHBondContact OE1-NH1 3.34Å; E1224-R1390 IonicContact OE1-NH2 3.3Å; E1224-R1390 PolarHBondContact OE1-NH2 3.27Å |
| 1225 | T | 51.2 | Low | 72 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | trans | -141.7 | 88 | 170.6 | 41.3 | 0 | 0 | 0 | 0 | 111.6 | P1168 L1222 D1223 C1227 Q1228 I1461 | P1168-T1225 HydrophobicContact CB-CG2 3.95Å; P1168-T1225 HydrophobicContact CG-CG2 3.76Å; P1168-T1225 WeakPolarHBondContact CG-OG1 3.46Å; L1222-T1225 CarbonylContact O-C 3.16Å; L1222-T1225 PolarHBondContact O-N 2.71Å; L1222-T1225 VanDerWaalsContact O-O 3.08Å; D1223-T1225 VanDerWaalsContact C-N 3.29Å; T1225-C1227 PolarHBondContact O-N 3.19Å; T1225-C1227 VanDerWaalsContact O-N 3.16Å; T1225-Q1228 HydrophobicContact CG2-CG 4.09Å; T1225-Q1228 VanDerWaalsContact CG2-NE2 3.34Å; T1225-Q1228 PolarHBondContact O-N 2.92Å; T1225-Q1228 VanDerWaalsContact O-O 3.1Å; T1225-I1461 HydrophobicContact CG2-CD1 3.92Å | ||
| 1226 | P | 42.3 | Very low | 71.6 | Confident | 75 Ų | 75 | 30.5 Ų | 30.5 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.2 | -178.9 | 24.9 | -34.7 | 0 | 0 | 0 | 114.5 | I1461 | P1226-I1461 HydrophobicContact CG-CD1 4.47Š|
| 1227 | C | 47.4 | Very low | 71.4 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 12% | 0.115 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -6.8 | 175.7 | -59.1 | 0 | 0 | 0 | 0 | 114 | T1225 V1412 T1413 D1457 I1461 | T1225-C1227 PolarHBondContact O-N 3.19Å; T1225-C1227 VanDerWaalsContact O-N 3.16Å; C1227-V1412 VanDerWaalsContact O-CG1 3.3Å; C1227-V1412 WeakPolarHBondContact O-CG1 3.35Å; C1227-T1413 WeakPolarHBondContact CB-O 3.36Å; C1227-T1413 PolarHBondContact SG-O 3.29Å; C1227-D1457 HydrophobicContact CB-CB 3.86Å; C1227-I1461 HydrophobicContact CB-CD1 3.65Å; C1227-I1461 HydrophobicContact CB-CG1 4.21Å |
| 1228 | Q | 62.9 | Low | 71.4 | Confident | 29 Ų | 29 | 30.8 Ų | 30.8 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | trans | -97.6 | 132.9 | 167.1 | -62.4 | -179.5 | 25.8 | 0 | 0 | 109.3 | P1168 T1225 | P1168-Q1228 PolarHBondContact O-NE2 3.01Å; T1225-Q1228 HydrophobicContact CG2-CG 4.09Å; T1225-Q1228 VanDerWaalsContact CG2-NE2 3.34Å; T1225-Q1228 PolarHBondContact O-N 2.92Å; T1225-Q1228 VanDerWaalsContact O-O 3.1Å | ||
| 1229 | G | 72.8 | Confident | 71.7 | Confident | 10 Ų | 10 | 29.1 Ų | 29.1 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | trans | -150.7 | 136.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1220 | D1220-G1229 WeakPolarHBondContact O-CA 3.48Š| ||
| 1230 | V | 84.6 | Confident | 72.2 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.7 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | D1220 L1232 A1367 I1369 | D1220-V1230 HydrophobicContact CB-CB 4.38Å; D1220-V1230 PolarHBondContact N-O 2.84Å; D1220-V1230 PolarHBondContact O-N 2.77Å; V1230-L1232 PolarHBondContact O-N 2.95Å; V1230-A1367 WeakPolarHBondContact CA-O 3.39Å; V1230-A1367 HydrophobicContact CG2-CB 4.3Å; V1230-I1369 HydrophobicContact CG1-CB 4.28Å; V1230-I1369 HydrophobicContact CG1-CD1 3.74Å; V1230-I1369 HydrophobicContact CG1-CG1 3.69Å |
| 1231 | F | 89.2 | Confident | 73 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 124.3 | 178.4 | -67.7 | -88.2 | 0 | 0 | 0 | 110.6 | F1203 I1205 V1217 V1219 I1233 I1366 A1367 M1368 I1369 V1412 | F1203-F1231 WeakPolarHBondContact O-CZ 3.1Å; I1205-F1231 HydrophobicContact CB-CD1 3.82Å; I1205-F1231 HydrophobicContact CB-CE1 4.2Å; I1205-F1231 HydrophobicContact CB-CG 4.29Å; I1205-F1231 HydrophobicContact CD1-CB 3.6Å; I1205-F1231 HydrophobicContact CD1-CD1 3.91Å; I1205-F1231 HydrophobicContact CD1-CD2 3.72Å; I1205-F1231 HydrophobicContact CD1-CE2 4.35Å; I1205-F1231 HydrophobicContact CD1-CG 3.47Å; I1205-F1231 VanDerWaalsContact CD1-CG 3.47Å; I1205-F1231 HydrophobicContact CG1-CB 4.25Å; I1205-F1231 HydrophobicContact CG1-CD1 3.58Å; I1205-F1231 HydrophobicContact CG1-CD2 4.03Å; I1205-F1231 HydrophobicContact CG1-CE1 3.83Å; I1205-F1231 HydrophobicContact CG1-CE2 4.24Å; I1205-F1231 HydrophobicContact CG1-CG 3.69Å; I1205-F1231 HydrophobicContact CG1-CZ 4.14Å; V1217-F1231 HydrophobicContact CG1-CB 4.34Å; V1219-F1231 HydrophobicContact CG2-CD1 3.62Å; V1219-F1231 HydrophobicContact CG2-CE1 3.45Å; V1219-F1231 VanDerWaalsContact CG2-CE1 3.45Å; V1219-F1231 HydrophobicContact CG2-CG 4.42Å; V1219-F1231 HydrophobicContact CG2-CZ 4.15Å; F1231-I1233 HydrophobicContact CB-CG2 4.27Å; F1231-I1233 PolarHBondContact O-N 3.09Å; F1231-I1366 HydrophobicContact CD2-CG2 3.7Å; F1231-I1366 HydrophobicContact CE2-CG2 3.91Å; F1231-A1367 PolarHBondContact N-O 3.08Å; F1231-M1368 HydrophobicContact CB-CB 4.28Å; F1231-M1368 VanDerWaalsContact O-CA 3.27Å; F1231-M1368 WeakPolarHBondContact O-CA 3.37Å; F1231-M1368 WeakPolarHBondContact O-CB 3.29Å; F1231-I1369 PolarHBondContact O-N 2.98Å; F1231-V1412 HydrophobicContact CE1-CG2 4.45Å; F1231-V1412 HydrophobicContact CE2-CB 4.21Å; F1231-V1412 HydrophobicContact CE2-CG2 3.59Å; F1231-V1412 HydrophobicContact CZ-CB 3.97Å; F1231-V1412 HydrophobicContact CZ-CG2 3.55Å |
| 1232 | L | 87.8 | Confident | 74 | Confident | 21 Ų | 21 | 26.8 Ų | 26.8 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 77.1 | -178.2 | -58.8 | -178.3 | 0 | 0 | 0 | 110.8 | V1217 P1218 D1220 V1230 I1369 L1371 F1377 | V1217-L1232 HydrophobicContact CG1-CB 4.47Å; V1217-L1232 VanDerWaalsContact CG1-O 3.25Å; V1217-L1232 WeakPolarHBondContact CG1-O 3.5Å; P1218-L1232 HydrophobicContact CG-CB 4.5Å; P1218-L1232 PolarHBondContact O-N 3.15Å; D1220-L1232 HydrophobicContact CB-CD1 4.28Å; D1220-L1232 HydrophobicContact CB-CD2 4.15Å; D1220-L1232 HydrophobicContact CB-CG 4.25Å; V1230-L1232 PolarHBondContact O-N 2.95Å; L1232-I1369 HydrophobicContact CD2-CB 4.21Å; L1232-I1369 HydrophobicContact CD2-CD1 4.4Å; L1232-L1371 HydrophobicContact CB-CD1 4.15Å; L1232-F1377 HydrophobicContact CB-CE1 3.87Å; L1232-F1377 WeakPolarHBondContact O-CE1 3.49Å; L1232-F1377 VanDerWaalsContact O-CZ 3.22Å; L1232-F1377 WeakPolarHBondContact O-CZ 3.21Å |
| 1233 | I | 89.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 147.6 | -174.2 | 61 | 171.3 | 0 | 0 | 0 | 112.7 | I1205 E1207 V1217 F1231 W1323 M1368 I1369 V1370 L1371 | I1205-I1233 HydrophobicContact CD1-CG2 4.24Å; I1205-I1233 HydrophobicContact CG2-CG2 4.03Å; E1207-I1233 WeakPolarHBondContact OE1-CA 3.29Å; E1207-I1233 WeakPolarHBondContact OE1-CB 3.01Å; V1217-I1233 HydrophobicContact CG1-CG2 4.19Å; V1217-I1233 HydrophobicContact CG2-CG2 4.35Å; F1231-I1233 HydrophobicContact CB-CG2 4.27Å; F1231-I1233 PolarHBondContact O-N 3.09Å; I1233-W1323 HydrophobicContact CD1-CH2 3.88Å; I1233-W1323 HydrophobicContact CD1-CZ3 4.39Å; I1233-M1368 HydrophobicContact CD1-CB 4.31Å; I1233-M1368 HydrophobicContact CD1-CG 4.17Å; I1233-M1368 HydrophobicContact CD1-SD 3.52Å; I1233-M1368 VanDerWaalsContact CD1-SD 3.52Å; I1233-M1368 HydrophobicContact CG1-CB 4.38Å; I1233-I1369 WeakPolarHBondContact CG1-O 3.39Å; I1233-I1369 PolarHBondContact N-O 3.45Å; I1233-V1370 HydrophobicContact CD1-CG2 4.11Å; I1233-V1370 HydrophobicContact CG1-CG2 4.17Å; I1233-V1370 CarbonylContact O-C 3.59Å; I1233-V1370 WeakPolarHBondContact O-CA 3.35Å; I1233-L1371 PolarHBondContact O-N 3.14Å |
| 1234 | H | 86.8 | Confident | 77.6 | Confident | 15 Ų | 15 | 22 Ų | 22 | 7% | 0.069 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.8 | 173.8 | -66.9 | 96.4 | 0 | 0 | 0 | 112.1 | E1207 G1236 I1237 R1239 S1375 F1377 | E1207-H1234 PolarHBondContact OE1-N 3.12Å; E1207-H1234 IonicContact OE2-CE1 3.94Å; E1207-H1234 IonicContact OE2-CG 2.73Å; E1207-H1234 PolarHBondContact OE2-N 3.06Å; E1207-H1234 IonicContact OE2-ND1 3.48Å; E1207-H1234 PolarHBondContact OE2-ND1 3.36Å; H1234-G1236 PolarHBondContact O-N 3.14Å; H1234-I1237 HydrophobicContact CB-CD1 3.54Å; H1234-I1237 HydrophobicContact CB-CG1 3.84Å; H1234-R1239 PolarHBondContact O-NH2 3.38Å; H1234-S1375 PolarHBondContact CD2-OG 3.35Å; H1234-S1375 PolarHBondContact NE2-O 3.38Å; H1234-S1375 VanDerWaalsContact NE2-O 3.14Å; H1234-S1375 PolarHBondContact NE2-OG 3.27Å; H1234-F1377 AromaticContact CE1-CE1 3.52Å; H1234-F1377 AromaticContact CE1-CE2 3.55Å; H1234-F1377 AromaticContact CE1-CZ 3.18Å; H1234-F1377 WeakPolarHBondContact CE1-CZ 3.32Å; H1234-F1377 AromaticContact ND1-CZ 3.65Å |
| 1235 | Q | 84.6 | Confident | 79.6 | Confident | 65 Ų | 65 | 19.8 Ų | 19.8 | 30% | 0.304 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 125.2 | 175.3 | -164.1 | -166.6 | 21.8 | 0 | 0 | 111.7 | N1334 V1336 V1370 L1371 R1373 | Q1235-N1334 PolarHBondContact NE2-O 2.81Å; Q1235-V1336 HydrophobicContact CB-CG2 4.35Å; Q1235-V1370 HydrophobicContact CB-CG1 3.85Å; Q1235-V1370 HydrophobicContact CG-CG1 4.21Å; Q1235-L1371 WeakPolarHBondContact CB-O 3.38Å; Q1235-L1371 PolarHBondContact N-O 3.04Å; Q1235-R1373 WeakPolarHBondContact O-CB 3.48Å; Q1235-R1373 WeakPolarHBondContact O-CG 3.29Å |
| 1236 | G | 75.3 | Confident | 81 | Confident | 40 Ų | 40 | 19.9 Ų | 19.9 | 41% | 0.412 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 33.2 | 173 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1234 R1373 | H1234-G1236 PolarHBondContact O-N 3.14Å; G1236-R1373 PolarHBondContact O-NH1 2.96Å; G1236-R1373 PolarHBondContact O-NH2 3.25Å |
| 1237 | I | 82 | Confident | 82.5 | Confident | 31 Ų | 31 | 16.7 Ų | 16.7 | 16% | 0.159 | 9% | 0.093 | C | C | . | . | trans | -107.6 | 145.3 | 165.7 | -57.3 | -164.7 | 0 | 0 | 0 | 109.1 | E1207 L1208 H1234 R1373 | E1207-I1237 HydrophobicContact CB-CG2 4.08Å; E1207-I1237 HydrophobicContact CG-CB 4.34Å; E1207-I1237 HydrophobicContact CG-CG2 3.97Å; L1208-I1237 HydrophobicContact CB-CG2 4.14Å; L1208-I1237 WeakPolarHBondContact O-CG2 3.39Å; H1234-I1237 HydrophobicContact CB-CD1 3.54Å; H1234-I1237 HydrophobicContact CB-CG1 3.84Å; I1237-R1373 HydrophobicContact CD1-CG 4.48Å; I1237-R1373 HydrophobicContact CG1-CG 4.28Å | ||
| 1238 | Q | 85.5 | Confident | 83.3 | Confident | 23 Ų | 23 | 17.9 Ų | 17.9 | 11% | 0.107 | 10% | 0.097 | C | C | . | . | trans | -71.4 | 142.9 | 176.5 | -163 | 169.4 | 7.4 | 0 | 0 | 111.3 | P171 I172 L1208 Y1214 | P171-Q1238 HydrophobicContact CB-CB 3.64Å; P171-Q1238 HydrophobicContact CB-CG 4.19Å; P171-Q1238 HydrophobicContact CG-CB 3.54Å; P171-Q1238 HydrophobicContact CG-CG 3.54Å; I172-Q1238 VanDerWaalsContact CG1-OE1 3.29Å; L1208-Q1238 HydrophobicContact CB-CB 4.24Å; L1208-Q1238 HydrophobicContact CD2-CB 4.41Å; L1208-Q1238 PolarHBondContact N-O 2.93Å; L1208-Q1238 VanDerWaalsContact N-O 3.09Å; Y1214-Q1238 HydrophobicContact CE1-CG 4.4Å; Y1214-Q1238 VanDerWaalsContact OH-CG 3.29Å; Y1214-Q1238 WeakPolarHBondContact OH-CG 3.35Å; Y1214-Q1238 PolarHBondContact OH-NE2 2.72Å; Y1214-Q1238 PolarHBondContact OH-OE1 2.9Å; Y1214-Q1238 VanDerWaalsContact OH-OE1 3.05Å | ||
| 1239 | R | 89.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 161.5 | -177.8 | -58.9 | -176.5 | -146.4 | 85.8 | 2.3 | 113.7 | I1205 L1206 E1207 H1234 W1323 S1325 | I1205-R1239 HydrophobicContact CG2-CB 4.1Å; I1205-R1239 HydrophobicContact CG2-CG 4.18Å; L1206-R1239 CarbonylContact O-C 3.5Å; L1206-R1239 WeakPolarHBondContact O-CA 3.17Å; L1206-R1239 WeakPolarHBondContact O-CB 3.26Å; E1207-R1239 HydrophobicContact CG-CG 3.58Å; E1207-R1239 IonicContact OE1-CZ 2.98Å; E1207-R1239 IonicContact OE1-NE 3.57Å; E1207-R1239 PolarHBondContact OE1-NE 3.45Å; E1207-R1239 IonicContact OE1-NH2 3.52Å; H1234-R1239 PolarHBondContact O-NH2 3.38Å; R1239-W1323 CarbonylContact C-O 3.51Å; R1239-W1323 WeakPolarHBondContact CA-O 3.31Å; R1239-W1323 HydrophobicContact CB-CE3 3.86Å; R1239-W1323 HydrophobicContact CB-CZ3 4.35Å; R1239-W1323 WeakPolarHBondContact CB-O 3.2Å; R1239-W1323 PolarHBondContact N-O 3.16Å; R1239-W1323 PolarHBondContact O-N 3.09Å; R1239-S1325 PolarHBondContact NH1-OG 2.94Å; R1239-S1325 PolarHBondContact NH2-OG 3.45Å |
| 1240 | R | 90.5 | Very high | 81.7 | Confident | 65 Ų | 65 | 22.9 Ų | 22.9 | 25% | 0.245 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.5 | 162.6 | -62.1 | -179.6 | -170.7 | 175.9 | 0.7 | 108.6 | I1205 L1206 Y1214 L1302 E1320 A1321 | I1205-R1240 WeakPolarHBondContact CA-O 3.19Å; L1206-R1240 HydrophobicContact CB-CB 4.39Å; L1206-R1240 HydrophobicContact CD1-CB 4.35Å; L1206-R1240 HydrophobicContact CG-CB 4.49Å; L1206-R1240 PolarHBondContact N-O 3.41Å; L1206-R1240 PolarHBondContact O-N 3.05Å; Y1214-R1240 HydrophobicContact CD1-CB 4.43Å; Y1214-R1240 HydrophobicContact CD1-CG 3.85Å; Y1214-R1240 HydrophobicContact CE1-CG 3.74Å; Y1214-R1240 HydrophobicContact CG-CG 4.45Å; R1240-L1302 VanDerWaalsContact CZ-CD2 3.42Å; R1240-L1302 VanDerWaalsContact NH1-CD2 3.35Å; R1240-E1320 WeakPolarHBondContact CD-OE2 3.49Å; R1240-E1320 IonicContact CZ-OE2 3.65Å; R1240-E1320 IonicContact NE-OE2 3.01Å; R1240-E1320 IonicContact NH1-OE2 3.03Å; R1240-E1320 PolarHBondContact NH1-OE2 2.84Å; R1240-A1321 CarbonylContact C-O 3.54Å; R1240-A1321 VanDerWaalsContact CA-O 3.3Å; R1240-A1321 WeakPolarHBondContact CA-O 3.38Å |
| 1241 | L | 91.8 | Very high | 79.5 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 107 | 164.2 | -56.8 | 179.8 | 0 | 0 | 0 | 106.1 | E1204 I1205 V1278 L1299 E1320 A1321 W1323 M1347 I1366 | E1204-L1241 CarbonylContact O-C 3.58Å; E1204-L1241 WeakPolarHBondContact O-CA 3.4Å; I1205-L1241 HydrophobicContact CB-CD2 4.47Å; I1205-L1241 HydrophobicContact CD1-CD2 4.22Å; I1205-L1241 HydrophobicContact CG1-CD2 3.76Å; I1205-L1241 HydrophobicContact CG2-CD2 4.42Å; L1241-V1278 HydrophobicContact CD1-CG1 4.11Å; L1241-L1299 HydrophobicContact CD1-CD1 3.85Å; L1241-E1320 CarbonylContact O-C 3.56Å; L1241-E1320 WeakPolarHBondContact O-CA 3.27Å; L1241-A1321 PolarHBondContact N-O 2.91Å; L1241-A1321 PolarHBondContact O-N 3.12Å; L1241-W1323 HydrophobicContact CD1-CB 4.17Å; L1241-W1323 HydrophobicContact CD1-CD2 4.43Å; L1241-W1323 HydrophobicContact CD1-CG 4.17Å; L1241-W1323 HydrophobicContact CD2-CD2 4.23Å; L1241-W1323 HydrophobicContact CD2-CE3 3.67Å; L1241-W1323 HydrophobicContact CD2-CZ3 4.31Å; L1241-W1323 HydrophobicContact CG-CB 3.88Å; L1241-W1323 HydrophobicContact CG-CD2 4.36Å; L1241-W1323 HydrophobicContact CG-CE3 4.23Å; L1241-W1323 HydrophobicContact CG-CG 4.22Å; L1241-M1347 HydrophobicContact CB-SD 4.32Å; L1241-M1347 HydrophobicContact CD1-SD 3.51Å; L1241-M1347 VanDerWaalsContact CD1-SD 3.51Å; L1241-I1366 HydrophobicContact CD1-CD1 4.29Å; L1241-I1366 HydrophobicContact CD2-CD1 4.27Å |
| 1242 | A | 90.9 | Very high | 76.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | E1204 L1206 F1319 E1320 | E1204-A1242 HydrophobicContact CB-CB 4.11Å; E1204-A1242 PolarHBondContact N-O 3.2Å; E1204-A1242 PolarHBondContact O-N 3.1Å; L1206-A1242 HydrophobicContact CD1-CB 4.01Å; L1206-A1242 HydrophobicContact CD2-CB 4.47Å; L1206-A1242 HydrophobicContact CG-CB 4.14Å; A1242-F1319 WeakPolarHBondContact CA-O 3.29Å; A1242-E1320 HydrophobicContact CB-CB 4.47Å; A1242-E1320 HydrophobicContact CB-CG 3.78Å |
| 1243 | I | 91.5 | Very high | 74.1 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 116.8 | -171.1 | -54.2 | 176.6 | 0 | 0 | 0 | 107.5 | V1201 W1202 F1203 L1245 R1318 F1319 M1347 M1362 | V1201-I1243 HydrophobicContact CG1-CG2 3.72Å; W1202-I1243 CarbonylContact O-C 3.59Å; W1202-I1243 VanDerWaalsContact O-CA 3.31Å; W1202-I1243 WeakPolarHBondContact O-CA 3.1Å; F1203-I1243 HydrophobicContact CD1-CD1 4.23Å; F1203-I1243 HydrophobicContact CD1-CG1 3.96Å; F1203-I1243 HydrophobicContact CD1-CG2 4.14Å; F1203-I1243 HydrophobicContact CE1-CD1 4.17Å; F1203-I1243 HydrophobicContact CE1-CG1 4.26Å; F1203-I1243 HydrophobicContact CE1-CG2 3.89Å; I1243-L1245 HydrophobicContact CG2-CD2 4.43Å; I1243-R1318 CarbonylContact O-C 3.57Å; I1243-R1318 WeakPolarHBondContact O-CA 3.49Å; I1243-F1319 HydrophobicContact CB-CD1 4.21Å; I1243-F1319 HydrophobicContact CB-CD2 4.36Å; I1243-F1319 HydrophobicContact CB-CE1 3.81Å; I1243-F1319 HydrophobicContact CB-CE2 3.99Å; I1243-F1319 HydrophobicContact CB-CG 4.48Å; I1243-F1319 HydrophobicContact CB-CZ 3.69Å; I1243-F1319 HydrophobicContact CD1-CE2 3.69Å; I1243-F1319 HydrophobicContact CD1-CZ 3.85Å; I1243-F1319 HydrophobicContact CG1-CE2 4.28Å; I1243-F1319 HydrophobicContact CG1-CZ 4.33Å; I1243-F1319 HydrophobicContact CG2-CE1 3.73Å; I1243-F1319 HydrophobicContact CG2-CE2 4.44Å; I1243-F1319 HydrophobicContact CG2-CZ 3.68Å; I1243-F1319 PolarHBondContact N-O 2.89Å; I1243-F1319 WeakPolarHBondContact O-CD1 3.2Å; I1243-F1319 PolarHBondContact O-N 3.41Å; I1243-M1347 HydrophobicContact CD1-CE 3.49Å; I1243-M1347 VanDerWaalsContact CD1-CE 3.49Å; I1243-M1347 HydrophobicContact CD1-SD 3.8Å; I1243-M1347 HydrophobicContact CG1-CE 4.28Å; I1243-M1362 HydrophobicContact CG2-CE 3.74Å |
| 1244 | T | 88.1 | Confident | 71.2 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 107.1 | 179.8 | -50.5 | 0 | 0 | 0 | 0 | 109.1 | V1201 W1202 V1246 R1318 | V1201-T1244 CarbonylContact C-O 3.55Å; V1201-T1244 VanDerWaalsContact CA-O 3.32Å; V1201-T1244 WeakPolarHBondContact CA-O 3.38Å; W1202-T1244 HydrophobicContact CE3-CG2 4.14Å; W1202-T1244 HydrophobicContact CZ3-CG2 4.46Å; W1202-T1244 PolarHBondContact N-O 3.27Å; W1202-T1244 PolarHBondContact O-N 2.95Å; T1244-V1246 HydrophobicContact CG2-CG2 4Å; T1244-R1318 HydrophobicContact CG2-CB 4.23Å |
| 1245 | L | 87.5 | Confident | 68.4 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 142.2 | 165.1 | -44 | -179.8 | 0 | 0 | 0 | 108.1 | I1199 L1200 V1201 I1243 F1270 S1316 F1317 F1319 L1351 M1362 | I1199-L1245 HydrophobicContact CG2-CB 3.85Å; I1199-L1245 HydrophobicContact CG2-CD2 4.3Å; L1200-L1245 CarbonylContact O-C 3.51Å; V1201-L1245 HydrophobicContact CB-CD2 4.45Å; V1201-L1245 HydrophobicContact CG1-CD2 3.99Å; V1201-L1245 HydrophobicContact CG2-CD2 3.61Å; I1243-L1245 HydrophobicContact CG2-CD2 4.43Å; L1245-F1270 HydrophobicContact CD1-CD1 3.41Å; L1245-F1270 VanDerWaalsContact CD1-CD1 3.41Å; L1245-F1270 HydrophobicContact CD1-CD2 4.23Å; L1245-F1270 HydrophobicContact CD1-CE1 3.59Å; L1245-F1270 HydrophobicContact CD1-CE2 4.38Å; L1245-F1270 HydrophobicContact CD1-CG 3.78Å; L1245-F1270 HydrophobicContact CD1-CZ 4.1Å; L1245-S1316 CarbonylContact O-C 3.58Å; L1245-S1316 WeakPolarHBondContact O-CA 3.33Å; L1245-F1317 HydrophobicContact CB-CB 4.25Å; L1245-F1317 HydrophobicContact CD1-CB 4.44Å; L1245-F1317 HydrophobicContact CD1-CD1 3.62Å; L1245-F1317 HydrophobicContact CD1-CE1 4.31Å; L1245-F1317 HydrophobicContact CD1-CG 4.41Å; L1245-F1317 HydrophobicContact CG-CD1 4.03Å; L1245-F1317 PolarHBondContact N-O 3.35Å; L1245-F1317 PolarHBondContact O-N 2.86Å; L1245-F1319 HydrophobicContact CD1-CE1 4.49Å; L1245-F1319 HydrophobicContact CD2-CE1 4.26Å; L1245-F1319 HydrophobicContact CG-CE1 4.19Å; L1245-L1351 HydrophobicContact CD1-CD1 3.7Å; L1245-L1351 HydrophobicContact CD1-CD2 4.22Å; L1245-L1351 HydrophobicContact CD2-CD1 4.33Å; L1245-M1362 HydrophobicContact CD2-CE 3.73Å; L1245-M1362 HydrophobicContact CD2-SD 3.53Å; L1245-M1362 VanDerWaalsContact CD2-SD 3.53Å |
| 1246 | V | 80.3 | Confident | 65.6 | Low | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 111.3 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | L1200 W1202 T1244 R1314 | L1200-V1246 HydrophobicContact CB-CB 4.23Å; L1200-V1246 HydrophobicContact CD2-CB 4.47Å; L1200-V1246 PolarHBondContact N-O 3.34Å; L1200-V1246 PolarHBondContact O-N 2.94Å; W1202-V1246 HydrophobicContact CZ2-CG2 4.24Å; T1244-V1246 HydrophobicContact CG2-CG2 4Å; V1246-R1314 HydrophobicContact CG1-CB 3.83Å; V1246-R1314 HydrophobicContact CG1-CG 4.42Å |
| 1247 | H | 74 | Confident | 63.4 | Low | 7 Ų | 7 | 63.9 Ų | 63.9 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.2 | 176.8 | 74.8 | 101.6 | 0 | 0 | 0 | 110.6 | C1268 F1270 R1314 I1315 | H1247-C1268 PolarHBondContact CE1-O 2.99Å; H1247-C1268 PolarHBondContact NE2-O 3.19Å; H1247-F1270 AromaticContact CD2-CD2 3.7Å; H1247-F1270 AromaticContact CD2-CE2 3.44Å; H1247-F1270 VanDerWaalsContact CD2-CE2 3.44Å; H1247-F1270 WeakPolarHBondContact CD2-CE2 3.41Å; H1247-F1270 AromaticContact NE2-CD2 3.69Å; H1247-F1270 AromaticContact NE2-CE2 3.75Å; H1247-R1314 CarbonylContact O-C 3.59Å; H1247-R1314 VanDerWaalsContact O-CA 3.28Å; H1247-R1314 WeakPolarHBondContact O-CA 3.43Å; H1247-I1315 PolarHBondContact CD2-O 2.75Å; H1247-I1315 VanDerWaalsContact CD2-O 3.26Å; H1247-I1315 PolarHBondContact N-O 3.42Å; H1247-I1315 WeakPolarHBondContact NE2-CB 3.45Å; H1247-I1315 VanDerWaalsContact NE2-CG2 3.31Å; H1247-I1315 WeakPolarHBondContact NE2-CG2 3.26Å; H1247-I1315 PolarHBondContact O-N 2.6Å |
| 1248 | E | 64.7 | Low | 60.8 | Low | 43 Ų | 43 | 69 Ų | 69 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.4 | 176.3 | -170 | 165.8 | -174.4 | 0 | 0 | 109.9 | R978 | R978-E1248 VanDerWaalsContact CA-OE1 3.23Å; R978-E1248 WeakPolarHBondContact CA-OE1 3.49Å; R978-E1248 WeakPolarHBondContact CA-OE2 3.39Å; R978-E1248 WeakPolarHBondContact CG-OE2 3.47Å; R978-E1248 IonicContact NE-OE2 2.61Å |
| 1249 | C | 53.3 | Low | 58 | Low | 20 Ų | 20 | 74 Ų | 74 | 14% | 0.135 | 38% | 0.38 | C | S | . | . | trans | -103.3 | 118.7 | 177.4 | -165.9 | 0 | 0 | 0 | 0 | 109.8 | D1251 D1313 I1315 | C1249-D1251 PolarHBondContact O-N 2.82Å; C1249-D1313 PolarHBondContact N-O 3.44Å; C1249-I1315 HydrophobicContact CB-CD1 3.92Å; C1249-I1315 HydrophobicContact CB-CG1 4.31Å | ||
| 1250 | L | 47.2 | Very low | 54.9 | Low | 123 Ų | 123 | 80.4 Ų | 80.4 | 64% | 0.644 | 42% | 0.415 | S | S | * | . | trans | -81.4 | 98.3 | 174.4 | -77.1 | 164.5 | 0 | 0 | 0 | 109.4 | F977 | F977-L1250 HydrophobicContact CD1-CD2 3.86Å; F977-L1250 HydrophobicContact CE1-CD2 3.59Å; F977-L1250 HydrophobicContact CZ-CD2 4.2Å | ||
| 1251 | D | 40.3 | Very low | 51.9 | Low | 94 Ų | 94 | 84.8 Ų | 84.8 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | trans | -70.9 | 133.7 | -173.3 | -110.4 | 17.3 | 0 | 0 | 0 | 113.7 | C1249 I1253 | C1249-D1251 PolarHBondContact O-N 2.82Å; D1251-I1253 PolarHBondContact O-N 3.06Å | ||
| 1252 | S | 29.6 | Very low | 48.8 | Very low | 107 Ų | 107 | 93 Ų | 93 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | trans | -87.9 | 95 | -172.8 | 60.4 | 0 | 0 | 0 | 0 | 112.5 | K1254 | S1252-K1254 PolarHBondContact O-N 2.93Š| ||
| 1253 | I | 32.2 | Very low | 45.7 | Very low | 161 Ų | 161 | 101 Ų | 101 | 83% | 0.826 | 52% | 0.521 | S | S | * | . | trans | -79.6 | 88.6 | -175.7 | -54.9 | -177.8 | 0 | 0 | 0 | 112.8 | D1251 | D1251-I1253 PolarHBondContact O-N 3.06Š| ||
| 1254 | K | 28.9 | Very low | 42.7 | Very low | 159 Ų | 159 | 104 Ų | 104 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | trans | 19.5 | 108.2 | 142.4 | -63.4 | 164.7 | -179.7 | 164.3 | 0 | 118.4 | I984 S1252 | I984-K1254 PolarHBondContact O-NZ 3.23Å; S1252-K1254 PolarHBondContact O-N 2.93Å | ||
| 1255 | S | 27.8 | Very low | 39.9 | Very low | 117 Ų | 117 | 109.4 Ų | 109.4 | 82% | 0.818 | 58% | 0.58 | S | S | * | * | trans | -161.1 | 127.1 | 132.9 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1256 | D | 26.3 | Very low | 38 | Very low | 154 Ų | 154 | 113.9 Ų | 113.9 | 82% | 0.824 | 60% | 0.601 | S | S | * | * | trans | -75.9 | 133.1 | -175.4 | -45.2 | -93 | 0 | 0 | 0 | 113.9 | ||||
| 1257 | R | 28.9 | Very low | 36.6 | Very low | 225 Ų | 225 | 116.5 Ų | 116.5 | 85% | 0.849 | 62% | 0.617 | S | S | * | * | 170.9 | 133.3 | 116.6 | -93.3 | 167.8 | -174 | -161.5 | 0.2 | 114.2 | |||||
| 1258 | I | 28 | Very low | 36 | Very low | 139 Ų | 139 | 116.5 Ų | 116.5 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | trans | 79.8 | 99.3 | 145.8 | -62.8 | 166.7 | 0 | 0 | 0 | 117.5 | ||||
| 1259 | D | 26.7 | Very low | 36.1 | Very low | 128 Ų | 128 | 117 Ų | 117 | 68% | 0.684 | 62% | 0.621 | S | S | * | * | trans | 84.6 | 93.4 | 132.1 | -61.8 | 11 | 0 | 0 | 0 | 123.1 | ||||
| 1260 | N | 25.2 | Very low | 37.2 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | 82.2 | 138.5 | 124.2 | -59.7 | -40.7 | 0 | 0 | 0 | 121.7 | |||||
| 1261 | H | 26.5 | Very low | 38.5 | Very low | 157 Ų | 157 | 116.5 Ų | 116.5 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 69.4 | 56.7 | 167.6 | -62.4 | -69.5 | 0 | 0 | 0 | 120.4 | ||
| 1262 | L | 27.8 | Very low | 40.5 | Very low | 176 Ų | 176 | 112.7 Ų | 112.7 | 92% | 0.921 | 60% | 0.596 | S | S | * | * | trans | -175.5 | 90 | 131 | -103.3 | 149.3 | 0 | 0 | 0 | 111.5 | ||||
| 1263 | I | 25.8 | Very low | 43.1 | Very low | 166 Ų | 166 | 108.9 Ų | 108.9 | 85% | 0.851 | 57% | 0.567 | S | S | * | * | trans | -98.9 | 99.5 | -177.5 | -55.3 | 172.9 | 0 | 0 | 0 | 110.1 | ||||
| 1264 | C | 27.6 | Very low | 45.5 | Very low | 66 Ų | 66 | 104.3 Ų | 104.3 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | trans | -158.7 | 53.3 | 161.6 | -156.5 | 0 | 0 | 0 | 0 | 113.2 | Q1266 | C1264-Q1266 PolarHBondContact O-N 3.35Š| ||
| 1265 | S | 30.2 | Very low | 48.3 | Very low | 117 Ų | 117 | 96.8 Ų | 96.8 | 82% | 0.818 | 51% | 0.509 | S | S | * | . | trans | -92.4 | 53.1 | 164.1 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1266 | Q | 46.5 | Very low | 51.2 | Low | 95 Ų | 95 | 91.2 Ų | 91.2 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | trans | -75.5 | 132.2 | 172.7 | -75.8 | 177.1 | -108.3 | 0 | 0 | 109.1 | C1264 D1354 | C1264-Q1266 PolarHBondContact O-N 3.35Å; Q1266-D1354 VanDerWaalsContact NE2-CG 3.29Å; Q1266-D1354 PolarHBondContact NE2-OD1 3.04Å; Q1266-D1354 PolarHBondContact NE2-OD2 2.84Å | ||
| 1267 | T | 51.3 | Low | 54.3 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 36% | 0.362 | 43% | 0.431 | S | S | . | . | trans | -65.4 | 140.9 | 170.5 | 41.7 | 0 | 0 | 0 | 0 | 109.3 | L1269 | T1267-L1269 VanDerWaalsContact C-N 3.26Å; T1267-L1269 PolarHBondContact O-N 3.09Å | ||
| 1268 | C | 60.8 | Low | 57.2 | Low | 7 Ų | 7 | 73.1 Ų | 73.1 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | trans | -70.6 | 80.6 | -179.2 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | Y1197 H1247 V1353 L1418 | Y1197-C1268 HydrophobicContact CD1-CB 4.24Å; Y1197-C1268 HydrophobicContact CD2-CB 4.07Å; Y1197-C1268 HydrophobicContact CE1-CB 3.95Å; Y1197-C1268 HydrophobicContact CE2-CB 3.76Å; Y1197-C1268 HydrophobicContact CG-CB 4.3Å; H1247-C1268 PolarHBondContact CE1-O 2.99Å; H1247-C1268 PolarHBondContact NE2-O 3.19Å; C1268-V1353 VanDerWaalsContact SG-CG1 3.57Å; C1268-L1418 WeakPolarHBondContact SG-CD2 3.41Å | ||
| 1269 | L | 67.3 | Low | 60 | Low | 54 Ų | 54 | 66.5 Ų | 66.5 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | trans | -90.4 | 123.5 | -177.2 | -68.7 | 169.9 | 0 | 0 | 0 | 110.9 | T1267 Q1271 I1315 V1353 D1354 | T1267-L1269 VanDerWaalsContact C-N 3.26Å; T1267-L1269 PolarHBondContact O-N 3.09Å; L1269-Q1271 PolarHBondContact O-N 3.05Å; L1269-Q1271 VanDerWaalsContact O-N 3.15Å; L1269-I1315 HydrophobicContact CD2-CD1 4.18Å; L1269-V1353 WeakPolarHBondContact O-CA 3.35Å; L1269-D1354 HydrophobicContact CB-CB 4.12Å; L1269-D1354 PolarHBondContact O-N 2.77Å | ||
| 1270 | F | 75.9 | Confident | 62.8 | Low | 10 Ų | 10 | 60.7 Ų | 60.7 | 4% | 0.044 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 101.9 | 171.9 | -64.4 | -86 | 0 | 0 | 0 | 109.2 | I1199 L1245 H1247 G1272 F1317 L1351 K1352 V1353 L1418 | I1199-F1270 HydrophobicContact CD1-CE1 4.02Å; I1199-F1270 HydrophobicContact CD1-CZ 3.54Å; I1199-F1270 HydrophobicContact CG1-CZ 4.13Å; L1245-F1270 HydrophobicContact CD1-CD1 3.41Å; L1245-F1270 VanDerWaalsContact CD1-CD1 3.41Å; L1245-F1270 HydrophobicContact CD1-CD2 4.23Å; L1245-F1270 HydrophobicContact CD1-CE1 3.59Å; L1245-F1270 HydrophobicContact CD1-CE2 4.38Å; L1245-F1270 HydrophobicContact CD1-CG 3.78Å; L1245-F1270 HydrophobicContact CD1-CZ 4.1Å; H1247-F1270 AromaticContact CD2-CD2 3.7Å; H1247-F1270 AromaticContact CD2-CE2 3.44Å; H1247-F1270 VanDerWaalsContact CD2-CE2 3.44Å; H1247-F1270 WeakPolarHBondContact CD2-CE2 3.41Å; H1247-F1270 AromaticContact NE2-CD2 3.69Å; H1247-F1270 AromaticContact NE2-CE2 3.75Å; F1270-G1272 VanDerWaalsContact C-N 3.31Å; F1270-G1272 PolarHBondContact O-N 3.45Å; F1270-F1317 HydrophobicContact CB-CB 4.07Å; F1270-F1317 HydrophobicContact CB-CD1 3.83Å; F1270-F1317 HydrophobicContact CB-CD2 3.57Å; F1270-F1317 HydrophobicContact CB-CE1 4.07Å; F1270-F1317 HydrophobicContact CB-CE2 3.83Å; F1270-F1317 HydrophobicContact CB-CG 3.55Å; F1270-F1317 HydrophobicContact CB-CZ 4.07Å; F1270-F1317 HydrophobicContact CD2-CB 4.46Å; F1270-F1317 HydrophobicContact CG-CB 4.42Å; F1270-F1317 HydrophobicContact CG-CD1 4.35Å; F1270-F1317 HydrophobicContact CG-CG 4.27Å; F1270-F1317 WeakPolarHBondContact O-CD2 3.33Å; F1270-F1317 WeakPolarHBondContact O-CE2 3.46Å; F1270-L1351 HydrophobicContact CD1-CD1 4.3Å; F1270-L1351 HydrophobicContact CE1-CD1 4.14Å; F1270-K1352 CarbonylContact C-O 3.53Å; F1270-V1353 HydrophobicContact CD1-CG2 3.69Å; F1270-V1353 HydrophobicContact CE1-CG2 3.63Å; F1270-L1418 HydrophobicContact CE1-CD2 4.47Å; F1270-L1418 HydrophobicContact CZ-CD2 4.13Å |
| 1271 | Q | 75.9 | Confident | 65.6 | Low | 122 Ų | 122 | 55.6 Ų | 55.6 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -19.6 | -176.4 | -65 | -175 | -11.2 | 0 | 0 | 113.3 | L1269 K1352 D1354 | L1269-Q1271 PolarHBondContact O-N 3.05Å; L1269-Q1271 VanDerWaalsContact O-N 3.15Å; Q1271-K1352 HydrophobicContact CB-CB 4.12Å; Q1271-K1352 PolarHBondContact N-O 2.89Å; Q1271-D1354 HydrophobicContact CG-CB 4.2Å; Q1271-D1354 PolarHBondContact NE2-OD1 3.32Å |
| 1272 | G | 80.7 | Confident | 68.4 | Low | 13 Ų | 13 | 48.8 Ų | 48.8 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.2 | -168.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1270 K1352 | F1270-G1272 VanDerWaalsContact C-N 3.31Å; F1270-G1272 PolarHBondContact O-N 3.45Å; G1272-K1352 PolarHBondContact N-O 2.82Å; G1272-K1352 PolarHBondContact O-N 2.99Å |
| 1273 | I | 84.4 | Confident | 70.8 | Confident | 27 Ų | 27 | 45 Ų | 45 | 14% | 0.138 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.3 | 174.2 | -46.6 | 91.2 | 0 | 0 | 0 | 107.3 | E1275 V1276 L1301 A1304 F1317 F1319 Y1350 L1351 | I1273-E1275 WeakPolarHBondContact CG2-O 3.28Å; I1273-V1276 HydrophobicContact CG2-CG2 3.94Å; I1273-L1301 HydrophobicContact CB-CD1 3.85Å; I1273-L1301 HydrophobicContact CB-CD2 4.21Å; I1273-L1301 HydrophobicContact CD1-CD2 4.36Å; I1273-L1301 HydrophobicContact CG2-CD1 3.93Å; I1273-L1301 HydrophobicContact CG2-CD2 4.34Å; I1273-A1304 HydrophobicContact CD1-CB 3.72Å; I1273-F1317 HydrophobicContact CD1-CE1 3.73Å; I1273-F1317 HydrophobicContact CD1-CZ 3.66Å; I1273-F1317 HydrophobicContact CG1-CE1 4.02Å; I1273-F1317 HydrophobicContact CG1-CZ 4.23Å; I1273-F1319 HydrophobicContact CD1-CB 3.37Å; I1273-F1319 HydrophobicContact CD1-CD1 3.95Å; I1273-F1319 HydrophobicContact CD1-CD2 3.76Å; I1273-F1319 HydrophobicContact CD1-CE2 4.47Å; I1273-F1319 HydrophobicContact CD1-CG 3.45Å; I1273-F1319 VanDerWaalsContact CD1-CG 3.45Å; I1273-F1319 HydrophobicContact CG1-CB 4.28Å; I1273-F1319 HydrophobicContact CG1-CD1 4.06Å; I1273-F1319 HydrophobicContact CG1-CD2 3.75Å; I1273-F1319 HydrophobicContact CG1-CE1 4.28Å; I1273-F1319 HydrophobicContact CG1-CE2 3.96Å; I1273-F1319 HydrophobicContact CG1-CG 3.79Å; I1273-F1319 HydrophobicContact CG1-CZ 4.22Å; I1273-F1319 HydrophobicContact CG2-CE2 4.44Å; I1273-Y1350 WeakPolarHBondContact CG2-O 3.28Å; I1273-L1351 HydrophobicContact CG1-CD2 3.77Å; I1273-L1351 HydrophobicContact CG2-CD2 4.26Å |
| 1274 | H | 83.9 | Confident | 73 | Confident | 66 Ų | 66 | 42.1 Ų | 42.1 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -50.2 | 174.5 | -165.1 | 127.3 | 0 | 0 | 0 | 110 | L1182 Y1350 P1359 | L1182-H1274 HydrophobicContact CD1-CB 4.5Å; H1274-Y1350 WeakPolarHBondContact CB-O 3.43Å; H1274-Y1350 PolarHBondContact N-O 3.11Å; H1274-P1359 HydrophobicContact CB-CB 4.4Å |
| 1275 | E | 87.3 | Confident | 75 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 150.4 | -174.7 | 179.4 | 154.1 | -122 | 0 | 0 | 111.1 | P1179 L1180 R1181 I1273 V1277 S1298 Y1350 | P1179-E1275 WeakPolarHBondContact CA-OE2 3.35Å; P1179-E1275 VanDerWaalsContact CB-OE2 3.28Å; P1179-E1275 WeakPolarHBondContact CB-OE2 3.47Å; L1180-E1275 PolarHBondContact N-OE2 3.07Å; R1181-E1275 WeakPolarHBondContact CD-OE1 3.47Å; R1181-E1275 VanDerWaalsContact CG-OE1 3.24Å; R1181-E1275 WeakPolarHBondContact CG-OE1 3.04Å; R1181-E1275 PolarHBondContact N-OE1 3.04Å; R1181-E1275 PolarHBondContact N-OE2 3.33Å; R1181-E1275 IonicContact NE-OE1 2.69Å; I1273-E1275 WeakPolarHBondContact CG2-O 3.28Å; E1275-V1277 HydrophobicContact CG-CG1 3.99Å; E1275-S1298 WeakPolarHBondContact OE1-CB 3.48Å; E1275-S1298 PolarHBondContact OE1-OG 2.78Å; E1275-Y1350 PolarHBondContact O-N 2.98Å |
| 1276 | V | 89.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121 | 162.3 | 178.6 | 0 | 0 | 0 | 0 | 107.1 | I1273 L1299 L1301 F1319 A1321 M1347 S1348 | I1273-V1276 HydrophobicContact CG2-CG2 3.94Å; V1276-L1299 HydrophobicContact CG1-CD1 4.16Å; V1276-L1299 PolarHBondContact O-N 2.86Å; V1276-L1301 HydrophobicContact CG2-CD1 4.5Å; V1276-L1301 HydrophobicContact CG2-CD2 3.78Å; V1276-L1301 HydrophobicContact CG2-CG 4.37Å; V1276-F1319 HydrophobicContact CG2-CD2 4.41Å; V1276-F1319 HydrophobicContact CG2-CE2 3.83Å; V1276-A1321 HydrophobicContact CB-CB 4.44Å; V1276-A1321 HydrophobicContact CG1-CB 4.44Å; V1276-M1347 HydrophobicContact CG1-CG 3.88Å; V1276-M1347 HydrophobicContact CG1-SD 4.01Å; V1276-S1348 WeakPolarHBondContact CA-O 3.46Å |
| 1277 | V | 89.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.1 | 177 | -87.3 | 0 | 0 | 0 | 0 | 110.3 | V1177 L1180 E1275 I1296 L1297 M1347 S1348 Y1350 | V1177-V1277 HydrophobicContact CB-CG2 4.09Å; V1177-V1277 HydrophobicContact CG1-CB 4.08Å; V1177-V1277 HydrophobicContact CG1-CG2 4.09Å; V1177-V1277 WeakPolarHBondContact O-CG2 3.45Å; L1180-V1277 HydrophobicContact CD1-CG1 4.36Å; L1180-V1277 HydrophobicContact CG-CG1 4.11Å; E1275-V1277 HydrophobicContact CG-CG1 3.99Å; V1277-I1296 HydrophobicContact CB-CG2 4.11Å; V1277-I1296 HydrophobicContact CG1-CG2 4.01Å; V1277-L1297 CarbonylContact C-O 3.59Å; V1277-L1297 VanDerWaalsContact CA-O 3.29Å; V1277-L1297 WeakPolarHBondContact CA-O 3.44Å; V1277-M1347 CarbonylContact O-C 3.53Å; V1277-M1347 WeakPolarHBondContact O-CA 3.47Å; V1277-S1348 WeakPolarHBondContact CG2-O 3.43Å; V1277-S1348 PolarHBondContact N-O 2.93Å; V1277-S1348 PolarHBondContact O-N 2.78Å; V1277-Y1350 HydrophobicContact CG2-CD2 4.36Å; V1277-Y1350 HydrophobicContact CG2-CE2 3.84Å |
| 1278 | V | 90.2 | Very high | 77.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.6 | 173.6 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | L1241 I1296 L1297 L1299 M1345 T1346 M1347 | L1241-V1278 HydrophobicContact CD1-CG1 4.11Å; V1278-I1296 CarbonylContact O-C 3.57Å; V1278-I1296 WeakPolarHBondContact O-CA 3.43Å; V1278-L1297 HydrophobicContact CG2-CB 4.06Å; V1278-L1297 PolarHBondContact N-O 3.04Å; V1278-L1297 PolarHBondContact O-N 2.91Å; V1278-L1299 HydrophobicContact CG1-CD1 3.87Å; V1278-L1299 HydrophobicContact CG1-CG 4.39Å; V1278-L1299 HydrophobicContact CG2-CD1 4.24Å; V1278-L1299 HydrophobicContact CG2-CD2 3.74Å; V1278-L1299 HydrophobicContact CG2-CG 4.05Å; V1278-M1345 HydrophobicContact CB-CG 4.26Å; V1278-M1345 HydrophobicContact CB-SD 3.77Å; V1278-M1345 HydrophobicContact CG1-SD 4.01Å; V1278-M1345 HydrophobicContact CG2-SD 4.29Å; V1278-T1346 CarbonylContact C-O 3.58Å; V1278-T1346 WeakPolarHBondContact CA-O 3.43Å; V1278-M1347 HydrophobicContact CG1-CB 3.84Å; V1278-M1347 HydrophobicContact CG1-CG 3.76Å; V1278-M1347 HydrophobicContact CG1-SD 4.31Å |
| 1279 | G | 86.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | -161.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V1281 T1346 | G1279-V1281 VanDerWaalsContact C-N 3.32Å; G1279-V1281 PolarHBondContact O-N 3.27Å; G1279-T1346 PolarHBondContact N-O 3.23Å; G1279-T1346 PolarHBondContact O-N 2.7Å; G1279-T1346 VanDerWaalsContact O-N 3.08Å |
| 1280 | R | 85.3 | Confident | 77.4 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.8 | 48.1 | 173.9 | -58.3 | 177 | -175.6 | 143.5 | 10.4 | 114.3 | A1175 P1176 R1282 W1287 D1291 T1294 | A1175-R1280 PolarHBondContact O-NH1 3.17Å; P1176-R1280 PolarHBondContact O-NH2 2.96Å; R1280-R1282 WeakPolarHBondContact O-CG 3.5Å; R1280-R1282 PolarHBondContact O-N 3.45Å; R1280-R1282 PolarHBondContact O-NH1 3.34Å; R1280-W1287 HydrophobicContact CB-CG 4.48Å; R1280-W1287 VanDerWaalsContact CD-CD1 3.48Å; R1280-W1287 HydrophobicContact CG-CG 4.34Å; R1280-D1291 IonicContact CZ-OD1 3.17Å; R1280-D1291 VanDerWaalsContact CZ-OD1 3.28Å; R1280-D1291 IonicContact CZ-OD2 2.64Å; R1280-D1291 IonicContact NE-OD1 3.33Å; R1280-D1291 PolarHBondContact NE-OD1 3.03Å; R1280-D1291 IonicContact NE-OD2 2.7Å; R1280-D1291 VanDerWaalsContact NH2-CG 3.33Å; R1280-D1291 IonicContact NH2-OD1 2.75Å; R1280-D1291 PolarHBondContact NH2-OD1 2.9Å; R1280-D1291 VanDerWaalsContact NH2-OD1 3.09Å; R1280-D1291 IonicContact NH2-OD2 2.94Å; R1280-D1291 PolarHBondContact NH2-OD2 3.19Å; R1280-T1294 HydrophobicContact CG-CG2 4.13Å |
| 1281 | V | 85.9 | Confident | 77 | Confident | 27 Ų | 27 | 50 Ų | 50 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 116 | -175.6 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | G1279 H1328 L1332 L1333 V1343 Y1344 M1345 | G1279-V1281 VanDerWaalsContact C-N 3.32Å; G1279-V1281 PolarHBondContact O-N 3.27Å; V1281-H1328 VanDerWaalsContact CG2-ND1 3.33Å; V1281-H1328 WeakPolarHBondContact CG2-ND1 3.36Å; V1281-L1332 HydrophobicContact CG1-CB 4.36Å; V1281-L1332 HydrophobicContact CG1-CD1 4.4Å; V1281-L1333 HydrophobicContact CB-CD1 4.36Å; V1281-L1333 HydrophobicContact CG1-CD1 3.57Å; V1281-L1333 HydrophobicContact CG1-CD2 4.43Å; V1281-L1333 HydrophobicContact CG1-CG 3.71Å; V1281-L1333 HydrophobicContact CG2-CD1 3.84Å; V1281-V1343 HydrophobicContact CG1-CG1 3.81Å; V1281-Y1344 WeakPolarHBondContact CA-O 3.46Å; V1281-M1345 HydrophobicContact CG2-CB 4.48Å; V1281-M1345 HydrophobicContact CG2-CE 3.97Å; V1281-M1345 HydrophobicContact CG2-CG 4.32Å |
| 1282 | R | 84.2 | Confident | 76.4 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 163.1 | -163.2 | 58.5 | -171.5 | -170 | -90.6 | 8.5 | 113.1 | S1174 R1280 N1284 P1285 E1286 Y1344 T1346 D1365 | S1174-R1282 PolarHBondContact OG-NH2 3.12Å; R1280-R1282 WeakPolarHBondContact O-CG 3.5Å; R1280-R1282 PolarHBondContact O-N 3.45Å; R1280-R1282 PolarHBondContact O-NH1 3.34Å; R1282-N1284 WeakPolarHBondContact CD-O 3.22Å; R1282-N1284 VanDerWaalsContact CG-O 3.27Å; R1282-N1284 WeakPolarHBondContact CG-O 3.44Å; R1282-N1284 PolarHBondContact NE-O 3.38Å; R1282-P1285 PolarHBondContact NE-O 2.75Å; R1282-P1285 PolarHBondContact NH2-O 2.91Å; R1282-E1286 VanDerWaalsContact CD-O 3.24Å; R1282-E1286 WeakPolarHBondContact CD-O 3.43Å; R1282-E1286 PolarHBondContact NE-O 3.32Å; R1282-Y1344 PolarHBondContact N-O 3.37Å; R1282-Y1344 PolarHBondContact O-N 3.43Å; R1282-T1346 PolarHBondContact NH1-OG1 2.95Å; R1282-D1365 IonicContact CZ-OD1 3.21Å; R1282-D1365 IonicContact NH1-OD1 3.42Å; R1282-D1365 PolarHBondContact NH1-OD1 3.4Å; R1282-D1365 IonicContact NH2-OD1 2.74Å; R1282-D1365 PolarHBondContact NH2-OD1 3.42Å; R1282-D1365 IonicContact NH2-OD2 2.81Å |
| 1283 | E | 78.6 | Confident | 75.6 | Confident | 96 Ų | 96 | 59 Ų | 59 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -89.9 | -28 | 178.2 | -60.1 | -166.8 | 146.8 | 0 | 0 | 113.3 | L1332 Q1341 Y1344 | E1283-L1332 HydrophobicContact CG-CD1 3.58Å; E1283-L1332 HydrophobicContact CG-CD2 3.57Å; E1283-L1332 HydrophobicContact CG-CG 4.21Å; E1283-L1332 WeakPolarHBondContact OE1-CD2 3.28Å; E1283-Q1341 PolarHBondContact OE1-NE2 3.3Å; E1283-Y1344 WeakPolarHBondContact O-CD2 3.46Å; E1283-Y1344 VanDerWaalsContact O-CE2 3.29Å; E1283-Y1344 WeakPolarHBondContact O-CE2 3.32Å |
| 1284 | N | 72.5 | Confident | 74.9 | Confident | 105 Ų | 105 | 58.8 Ų | 58.8 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -97.2 | 154.3 | 179.9 | -65.9 | -18.9 | 0 | 0 | 0 | 110.9 | R1282 E1286 Y1344 | R1282-N1284 WeakPolarHBondContact CD-O 3.22Å; R1282-N1284 VanDerWaalsContact CG-O 3.27Å; R1282-N1284 WeakPolarHBondContact CG-O 3.44Å; R1282-N1284 PolarHBondContact NE-O 3.38Å; N1284-E1286 VanDerWaalsContact C-N 3.31Å; N1284-E1286 PolarHBondContact O-N 2.73Å; N1284-Y1344 VanDerWaalsContact C-CD2 3.49Å; N1284-Y1344 WeakPolarHBondContact O-CD2 3.32Å |
| 1285 | P | 67.7 | Low | 74.7 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -63.8 | -37.3 | 176.5 | 25.6 | -33.9 | 0 | 0 | 0 | 112.3 | L1171 R1282 Y1344 | L1171-P1285 HydrophobicContact CD2-CB 3.57Å; L1171-P1285 HydrophobicContact CG-CB 4.47Å; R1282-P1285 PolarHBondContact NE-O 2.75Å; R1282-P1285 PolarHBondContact NH2-O 2.91Å; P1285-Y1344 HydrophobicContact CB-CE1 4.31Å; P1285-Y1344 HydrophobicContact CB-CE2 4.49Å |
| 1286 | E | 65.4 | Low | 74.5 | Confident | 121 Ų | 121 | 62.8 Ų | 62.8 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -71.8 | 141 | 175.5 | -70.5 | 162.3 | -153.2 | 0 | 0 | 112.1 | R1282 N1284 | R1282-E1286 VanDerWaalsContact CD-O 3.24Å; R1282-E1286 WeakPolarHBondContact CD-O 3.43Å; R1282-E1286 PolarHBondContact NE-O 3.32Å; N1284-E1286 VanDerWaalsContact C-N 3.31Å; N1284-E1286 PolarHBondContact O-N 2.73Å |
| 1287 | W | 63.1 | Low | 74.3 | Confident | 95 Ų | 95 | 64.3 Ų | 64.3 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | trans | -102.9 | 126.6 | 173.8 | 155.3 | 75.4 | 0 | 0 | 0 | 109.1 | R1280 D1289 | R1280-W1287 HydrophobicContact CB-CG 4.48Å; R1280-W1287 VanDerWaalsContact CD-CD1 3.48Å; R1280-W1287 HydrophobicContact CG-CG 4.34Å; W1287-D1289 PolarHBondContact NE1-O 3.4Å | ||
| 1288 | L | 59.9 | Low | 74.2 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 70% | 0.696 | 33% | 0.33 | S | S | * | . | trans | -128.2 | -18.3 | -174.2 | -64.5 | 170.9 | 0 | 0 | 0 | 113.8 | ||||
| 1289 | D | 60.3 | Low | 74.1 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 51% | 0.508 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -85.2 | 137 | -177.6 | -50 | -62.1 | 0 | 0 | 0 | 111.4 | W1287 H1293 T1294 | W1287-D1289 PolarHBondContact NE1-O 3.4Å; D1289-H1293 HydrophobicContact CB-CB 4.47Å; D1289-T1294 HydrophobicContact CB-CG2 4.46Å |
| 1290 | S | 59.1 | Low | 74.1 | Confident | 46 Ų | 46 | 69.6 Ų | 69.6 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | trans | -58.7 | 148.6 | 176.8 | 78.1 | 0 | 0 | 0 | 0 | 111.7 | E1292 H1293 | S1290-E1292 WeakPolarHBondContact CB-OE2 3.47Å; S1290-E1292 PolarHBondContact O-N 2.69Å; S1290-E1292 PolarHBondContact OG-OE2 3.45Å; S1290-H1293 WeakPolarHBondContact O-CB 3.45Å; S1290-H1293 PolarHBondContact O-N 2.94Å; S1290-H1293 PolarHBondContact OG-ND1 3.06Å | ||
| 1291 | D | 66.1 | Low | 74.1 | Confident | 42 Ų | 42 | 72 Ų | 72 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -55.1 | -30.3 | -176.5 | -92.1 | -21.5 | 0 | 0 | 0 | 113 | P1178 R1280 H1293 T1294 I1296 | P1178-D1291 VanDerWaalsContact CD-OD2 3.27Å; P1178-D1291 WeakPolarHBondContact CD-OD2 3.21Å; P1178-D1291 WeakPolarHBondContact CG-OD2 3.31Å; R1280-D1291 IonicContact CZ-OD1 3.17Å; R1280-D1291 VanDerWaalsContact CZ-OD1 3.28Å; R1280-D1291 IonicContact CZ-OD2 2.64Å; R1280-D1291 IonicContact NE-OD1 3.33Å; R1280-D1291 PolarHBondContact NE-OD1 3.03Å; R1280-D1291 IonicContact NE-OD2 2.7Å; R1280-D1291 VanDerWaalsContact NH2-CG 3.33Å; R1280-D1291 IonicContact NH2-OD1 2.75Å; R1280-D1291 PolarHBondContact NH2-OD1 2.9Å; R1280-D1291 VanDerWaalsContact NH2-OD1 3.09Å; R1280-D1291 IonicContact NH2-OD2 2.94Å; R1280-D1291 PolarHBondContact NH2-OD2 3.19Å; D1291-H1293 PolarHBondContact O-N 3.01Å; D1291-T1294 PolarHBondContact O-N 2.69Å; D1291-T1294 PolarHBondContact O-OG1 3.5Å; D1291-I1296 HydrophobicContact CB-CD1 4.47Å |
| 1292 | E | 63.3 | Low | 73.8 | Confident | 171 Ų | 171 | 73 Ų | 73 | 80% | 0.799 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -56 | -32.9 | 174.9 | -51.6 | 162.1 | 123.8 | 0 | 0 | 113.3 | S1290 T1294 | S1290-E1292 WeakPolarHBondContact CB-OE2 3.47Å; S1290-E1292 PolarHBondContact O-N 2.69Å; S1290-E1292 PolarHBondContact OG-OE2 3.45Å; E1292-T1294 VanDerWaalsContact C-N 3.33Å |
| 1293 | H | 65.6 | Low | 73.3 | Confident | 154 Ų | 154 | 77.7 Ų | 77.7 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -84.8 | -8.7 | 178.1 | -66.8 | 83.9 | 0 | 0 | 0 | 112.4 | D1289 S1290 D1291 | D1289-H1293 HydrophobicContact CB-CB 4.47Å; S1290-H1293 WeakPolarHBondContact O-CB 3.45Å; S1290-H1293 PolarHBondContact O-N 2.94Å; S1290-H1293 PolarHBondContact OG-ND1 3.06Å; D1291-H1293 PolarHBondContact O-N 3.01Å |
| 1294 | T | 69.7 | Low | 73.1 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 14% | 0.135 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -104 | 129.9 | -175.1 | 83.4 | 0 | 0 | 0 | 0 | 111.6 | R1280 D1289 D1291 E1292 I1296 | R1280-T1294 HydrophobicContact CG-CG2 4.13Å; D1289-T1294 HydrophobicContact CB-CG2 4.46Å; D1291-T1294 PolarHBondContact O-N 2.69Å; D1291-T1294 PolarHBondContact O-OG1 3.5Å; E1292-T1294 VanDerWaalsContact C-N 3.33Å; T1294-I1296 PolarHBondContact O-N 2.88Å |
| 1295 | H | 78.5 | Confident | 73.2 | Confident | 121 Ų | 121 | 75.8 Ų | 75.8 | 56% | 0.56 | 40% | 0.401 | S | S | * | . | trans | -75.9 | 88.1 | 177.5 | -119.2 | -67.2 | 0 | 0 | 0 | 110.3 | A1329 | H1295-A1329 VanDerWaalsContact CD2-CB 3.49Å; H1295-A1329 WeakPolarHBondContact CD2-CB 3.48Å | ||
| 1296 | I | 84.3 | Confident | 73.4 | Confident | 30 Ų | 30 | 78 Ų | 78 | 15% | 0.154 | 41% | 0.407 | C | S | . | . | trans | -70.8 | 136.2 | 173.1 | -60 | 172.4 | 0 | 0 | 0 | 109.3 | V1177 P1178 L1180 V1277 V1278 D1291 T1294 | V1177-I1296 HydrophobicContact CG1-CB 4.28Å; V1177-I1296 HydrophobicContact CG1-CD1 3.88Å; V1177-I1296 HydrophobicContact CG1-CG1 3.8Å; V1177-I1296 HydrophobicContact CG1-CG2 3.55Å; P1178-I1296 HydrophobicContact CB-CD1 4.45Å; P1178-I1296 HydrophobicContact CG-CD1 4.26Å; L1180-I1296 HydrophobicContact CD1-CG2 4Å; L1180-I1296 HydrophobicContact CD2-CG2 4.29Å; L1180-I1296 HydrophobicContact CG-CG2 4.07Å; V1277-I1296 HydrophobicContact CB-CG2 4.11Å; V1277-I1296 HydrophobicContact CG1-CG2 4.01Å; V1278-I1296 CarbonylContact O-C 3.57Å; V1278-I1296 WeakPolarHBondContact O-CA 3.43Å; D1291-I1296 HydrophobicContact CB-CD1 4.47Å; T1294-I1296 PolarHBondContact O-N 2.88Å | ||
| 1297 | L | 84.9 | Confident | 73.7 | Confident | 32 Ų | 32 | 75.3 Ų | 75.3 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 124.4 | -177.8 | -62.6 | 171.1 | 0 | 0 | 0 | 111 | V1277 V1278 L1327 H1328 | V1277-L1297 CarbonylContact C-O 3.59Å; V1277-L1297 VanDerWaalsContact CA-O 3.29Å; V1277-L1297 WeakPolarHBondContact CA-O 3.44Å; V1278-L1297 HydrophobicContact CG2-CB 4.06Å; V1278-L1297 PolarHBondContact N-O 3.04Å; V1278-L1297 PolarHBondContact O-N 2.91Å; L1297-L1327 HydrophobicContact CD1-CB 3.61Å; L1297-H1328 HydrophobicContact CD1-CB 4.45Å |
| 1298 | S | 87.5 | Confident | 73.5 | Confident | 29 Ų | 29 | 75.7 Ų | 75.7 | 20% | 0.203 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.6 | 170.5 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | R1181 E1275 | R1181-S1298 PolarHBondContact NH1-OG 2.82Å; R1181-S1298 PolarHBondContact NH2-OG 2.8Å; R1181-S1298 VanDerWaalsContact NH2-OG 3.1Å; E1275-S1298 WeakPolarHBondContact OE1-CB 3.48Å; E1275-S1298 PolarHBondContact OE1-OG 2.78Å |
| 1299 | L | 88.1 | Confident | 73.4 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | trans | -78.2 | 153.7 | -177 | -58.1 | -173.9 | 0 | 0 | 0 | 111.9 | L1241 V1276 V1278 L1301 A1321 W1323 | L1241-L1299 HydrophobicContact CD1-CD1 3.85Å; V1276-L1299 HydrophobicContact CG1-CD1 4.16Å; V1276-L1299 PolarHBondContact O-N 2.86Å; V1278-L1299 HydrophobicContact CG1-CD1 3.87Å; V1278-L1299 HydrophobicContact CG1-CG 4.39Å; V1278-L1299 HydrophobicContact CG2-CD1 4.24Å; V1278-L1299 HydrophobicContact CG2-CD2 3.74Å; V1278-L1299 HydrophobicContact CG2-CG 4.05Å; L1299-L1301 PolarHBondContact O-N 2.71Å; L1299-A1321 HydrophobicContact CB-CB 3.87Å; L1299-A1321 HydrophobicContact CD1-CB 3.78Å; L1299-A1321 HydrophobicContact CG-CB 4.5Å; L1299-W1323 HydrophobicContact CD1-CB 4.19Å; L1299-W1323 HydrophobicContact CD2-CB 4.48Å | ||
| 1300 | S | 86.1 | Confident | 72.9 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 114.6 | 171.3 | 40.1 | 0 | 0 | 0 | 0 | 110.1 | A1321 A1322 | S1300-A1321 WeakPolarHBondContact O-CA 3.27Å; S1300-A1322 PolarHBondContact O-N 3.39Å |
| 1301 | L | 84.6 | Confident | 72.5 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 29% | 0.288 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 133.2 | 177.9 | -78.9 | 158.9 | 0 | 0 | 0 | 111.2 | I1273 V1276 L1299 F1319 A1321 | I1273-L1301 HydrophobicContact CB-CD1 3.85Å; I1273-L1301 HydrophobicContact CB-CD2 4.21Å; I1273-L1301 HydrophobicContact CD1-CD2 4.36Å; I1273-L1301 HydrophobicContact CG2-CD1 3.93Å; I1273-L1301 HydrophobicContact CG2-CD2 4.34Å; V1276-L1301 HydrophobicContact CG2-CD1 4.5Å; V1276-L1301 HydrophobicContact CG2-CD2 3.78Å; V1276-L1301 HydrophobicContact CG2-CG 4.37Å; L1299-L1301 PolarHBondContact O-N 2.71Å; L1301-F1319 HydrophobicContact CD2-CD2 3.93Å; L1301-A1321 HydrophobicContact CD2-CB 4.39Å |
| 1302 | L | 81.2 | Confident | 72.1 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 25% | 0.251 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 162.2 | 163.4 | -70.4 | 85.6 | 0 | 0 | 0 | 109.4 | R1240 A1304 E1320 A1322 | R1240-L1302 VanDerWaalsContact CZ-CD2 3.42Å; R1240-L1302 VanDerWaalsContact NH1-CD2 3.35Å; L1302-A1304 PolarHBondContact O-N 2.72Å; L1302-E1320 HydrophobicContact CB-CB 4.17Å; L1302-E1320 WeakPolarHBondContact CB-O 3.34Å; L1302-E1320 HydrophobicContact CD1-CB 4.06Å; L1302-E1320 WeakPolarHBondContact CD1-O 3.39Å; L1302-E1320 HydrophobicContact CD2-CB 4.45Å; L1302-E1320 HydrophobicContact CG-CB 4.45Å; L1302-E1320 PolarHBondContact N-O 2.92Å; L1302-A1322 HydrophobicContact CD1-CB 4.25Å |
| 1303 | P | 72.1 | Confident | 71.8 | Confident | 114 Ų | 114 | 66.5 Ų | 66.5 | 74% | 0.74 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 126 | 176.8 | -25.8 | 35.4 | 0 | 0 | 0 | 111.9 | ||
| 1304 | A | 75.1 | Confident | 71.6 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -67 | 140.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I1273 L1302 F1317 R1318 F1319 | I1273-A1304 HydrophobicContact CD1-CB 3.72Å; L1302-A1304 PolarHBondContact O-N 2.72Å; A1304-F1317 HydrophobicContact CB-CE1 4.24Å; A1304-F1317 HydrophobicContact CB-CE2 3.64Å; A1304-F1317 HydrophobicContact CB-CZ 3.48Å; A1304-F1317 VanDerWaalsContact CB-CZ 3.48Å; A1304-R1318 CarbonylContact C-O 3.58Å; A1304-R1318 WeakPolarHBondContact CA-O 3.2Å; A1304-F1319 HydrophobicContact CB-CB 4.04Å |
| 1305 | Q | 75.5 | Confident | 71.6 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 118.8 | 179.3 | -65.8 | -177.1 | -10 | 0 | 0 | 109.1 | I1307 R1318 | Q1305-I1307 HydrophobicContact CB-CG1 4.32Å; Q1305-I1307 PolarHBondContact O-N 2.81Å; Q1305-R1318 PolarHBondContact N-O 2.98Å; Q1305-R1318 PolarHBondContact O-N 2.98Å |
| 1306 | Q | 72 | Confident | 71.5 | Confident | 86 Ų | 86 | 57 Ų | 57 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 100.7 | 166.8 | -166.8 | 174.2 | -5.1 | 0 | 0 | 107.8 | H1308 I1315 S1316 | Q1306-H1308 PolarHBondContact NE2-NE2 2.84Å; Q1306-I1315 HydrophobicContact CG-CG2 3.85Å; Q1306-I1315 VanDerWaalsContact NE2-CG2 3.27Å; Q1306-S1316 CarbonylContact C-O 3.55Å; Q1306-S1316 WeakPolarHBondContact CA-O 3.41Å |
| 1307 | I | 70.1 | Confident | 71.6 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 113.5 | 178.8 | -58.9 | 174.6 | 0 | 0 | 0 | 107.5 | Q1305 S1316 R1318 | Q1305-I1307 HydrophobicContact CB-CG1 4.32Å; Q1305-I1307 PolarHBondContact O-N 2.81Å; I1307-S1316 PolarHBondContact N-O 2.82Å; I1307-S1316 WeakPolarHBondContact O-CB 3.17Å; I1307-S1316 PolarHBondContact O-N 3.33Å; I1307-S1316 VanDerWaalsContact O-N 3.09Å; I1307-R1318 HydrophobicContact CD1-CB 3.74Å; I1307-R1318 HydrophobicContact CD1-CG 4.44Å; I1307-R1318 HydrophobicContact CG1-CB 4.42Å |
| 1308 | H | 60.4 | Low | 71.7 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 109.6 | 169.8 | -70.3 | -93.1 | 0 | 0 | 0 | 108.6 | Q1306 A1310 | Q1306-H1308 PolarHBondContact NE2-NE2 2.84Å; H1308-A1310 PolarHBondContact O-N 2.89Å; H1308-A1310 VanDerWaalsContact O-N 3.15Å |
| 1309 | E | 56.6 | Low | 71.9 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | trans | -69.2 | 105.2 | 169.7 | -69.6 | -172 | 154.4 | 0 | 0 | 108.6 | Y982 S1311 S1312 | Y982-E1309 PolarHBondContact OH-O 2.83Å; E1309-S1311 PolarHBondContact O-N 2.86Å; E1309-S1312 PolarHBondContact O-N 2.76Å; E1309-S1312 PolarHBondContact OE2-OG 2.91Å | ||
| 1310 | A | 49.4 | Very low | 72 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 81% | 0.81 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 18.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1308 | H1308-A1310 PolarHBondContact O-N 2.89Å; H1308-A1310 VanDerWaalsContact O-N 3.15Å |
| 1311 | S | 51.7 | Low | 72.2 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 62% | 0.615 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | 11.6 | 174.3 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | N980 E1309 | N980-S1311 PolarHBondContact ND2-O 3.24Å; E1309-S1311 PolarHBondContact O-N 2.86Å |
| 1312 | S | 56.9 | Low | 72.5 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -150 | 150.7 | 174 | 91 | 0 | 0 | 0 | 0 | 114.5 | N980 Y982 E1309 R1314 | N980-S1312 VanDerWaalsContact OD1-CA 3.27Å; N980-S1312 WeakPolarHBondContact OD1-CA 3.31Å; N980-S1312 WeakPolarHBondContact OD1-CB 3.42Å; Y982-S1312 WeakPolarHBondContact CE2-O 3.48Å; E1309-S1312 PolarHBondContact O-N 2.76Å; E1309-S1312 PolarHBondContact OE2-OG 2.91Å; S1312-R1314 PolarHBondContact O-N 3.02Å; S1312-R1314 WeakPolarHBondContact OG-CB 3.36Å; S1312-R1314 WeakPolarHBondContact OG-CG 3.43Å; S1312-R1314 PolarHBondContact OG-N 2.89Å |
| 1313 | D | 57.1 | Low | 72.9 | Confident | 32 Ų | 32 | 49.2 Ų | 49.2 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -75.1 | 21.3 | 177.2 | -61.9 | -13.2 | 0 | 0 | 0 | 113 | N980 N981 Y982 C1249 | N980-D1313 WeakPolarHBondContact CA-OD1 3.3Å; N980-D1313 WeakPolarHBondContact CA-OD2 3.39Å; N980-D1313 PolarHBondContact N-OD2 2.91Å; N980-D1313 VanDerWaalsContact N-OD2 3.14Å; N981-D1313 WeakPolarHBondContact CA-OD1 3.1Å; N981-D1313 PolarHBondContact N-OD1 2.83Å; N981-D1313 PolarHBondContact N-OD2 2.88Å; Y982-D1313 PolarHBondContact N-OD1 2.69Å; C1249-D1313 PolarHBondContact N-O 3.44Å |
| 1314 | R | 62.9 | Low | 73.3 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 109.2 | -174.9 | -57.4 | 176.6 | -174.7 | 164.7 | 5.8 | 108.8 | R978 V1246 H1247 S1312 S1316 | R978-R1314 PolarHBondContact O-NH2 3.3Å; V1246-R1314 HydrophobicContact CG1-CB 3.83Å; V1246-R1314 HydrophobicContact CG1-CG 4.42Å; H1247-R1314 CarbonylContact O-C 3.59Å; H1247-R1314 VanDerWaalsContact O-CA 3.28Å; H1247-R1314 WeakPolarHBondContact O-CA 3.43Å; S1312-R1314 PolarHBondContact O-N 3.02Å; S1312-R1314 WeakPolarHBondContact OG-CB 3.36Å; S1312-R1314 WeakPolarHBondContact OG-CG 3.43Å; S1312-R1314 PolarHBondContact OG-N 2.89Å; R1314-S1316 PolarHBondContact O-N 3.25Å |
| 1315 | I | 68.1 | Low | 73.5 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 113.6 | 168.3 | -65.5 | 173.7 | 0 | 0 | 0 | 106.7 | H1247 C1249 L1269 Q1306 | H1247-I1315 PolarHBondContact CD2-O 2.75Å; H1247-I1315 VanDerWaalsContact CD2-O 3.26Å; H1247-I1315 PolarHBondContact N-O 3.42Å; H1247-I1315 WeakPolarHBondContact NE2-CB 3.45Å; H1247-I1315 VanDerWaalsContact NE2-CG2 3.31Å; H1247-I1315 WeakPolarHBondContact NE2-CG2 3.26Å; H1247-I1315 PolarHBondContact O-N 2.6Å; C1249-I1315 HydrophobicContact CB-CD1 3.92Å; C1249-I1315 HydrophobicContact CB-CG1 4.31Å; L1269-I1315 HydrophobicContact CD2-CD1 4.18Å; Q1306-I1315 HydrophobicContact CG-CG2 3.85Å; Q1306-I1315 VanDerWaalsContact NE2-CG2 3.27Å |
| 1316 | S | 77.9 | Confident | 73.5 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.3 | 172.2 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | L1245 Q1306 I1307 R1314 | L1245-S1316 CarbonylContact O-C 3.58Å; L1245-S1316 WeakPolarHBondContact O-CA 3.33Å; Q1306-S1316 CarbonylContact C-O 3.55Å; Q1306-S1316 WeakPolarHBondContact CA-O 3.41Å; I1307-S1316 PolarHBondContact N-O 2.82Å; I1307-S1316 WeakPolarHBondContact O-CB 3.17Å; I1307-S1316 PolarHBondContact O-N 3.33Å; I1307-S1316 VanDerWaalsContact O-N 3.09Å; R1314-S1316 PolarHBondContact O-N 3.25Å |
| 1317 | F | 85.1 | Confident | 73.7 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 99.5 | 176.5 | 176.3 | -91.8 | 0 | 0 | 0 | 108.2 | L1245 F1270 I1273 A1304 F1319 L1351 | L1245-F1317 HydrophobicContact CB-CB 4.25Å; L1245-F1317 HydrophobicContact CD1-CB 4.44Å; L1245-F1317 HydrophobicContact CD1-CD1 3.62Å; L1245-F1317 HydrophobicContact CD1-CE1 4.31Å; L1245-F1317 HydrophobicContact CD1-CG 4.41Å; L1245-F1317 HydrophobicContact CG-CD1 4.03Å; L1245-F1317 PolarHBondContact N-O 3.35Å; L1245-F1317 PolarHBondContact O-N 2.86Å; F1270-F1317 HydrophobicContact CB-CB 4.07Å; F1270-F1317 HydrophobicContact CB-CD1 3.83Å; F1270-F1317 HydrophobicContact CB-CD2 3.57Å; F1270-F1317 HydrophobicContact CB-CE1 4.07Å; F1270-F1317 HydrophobicContact CB-CE2 3.83Å; F1270-F1317 HydrophobicContact CB-CG 3.55Å; F1270-F1317 HydrophobicContact CB-CZ 4.07Å; F1270-F1317 HydrophobicContact CD2-CB 4.46Å; F1270-F1317 HydrophobicContact CG-CB 4.42Å; F1270-F1317 HydrophobicContact CG-CD1 4.35Å; F1270-F1317 HydrophobicContact CG-CG 4.27Å; F1270-F1317 WeakPolarHBondContact O-CD2 3.33Å; F1270-F1317 WeakPolarHBondContact O-CE2 3.46Å; I1273-F1317 HydrophobicContact CD1-CE1 3.73Å; I1273-F1317 HydrophobicContact CD1-CZ 3.66Å; I1273-F1317 HydrophobicContact CG1-CE1 4.02Å; I1273-F1317 HydrophobicContact CG1-CZ 4.23Å; A1304-F1317 HydrophobicContact CB-CE1 4.24Å; A1304-F1317 HydrophobicContact CB-CE2 3.64Å; A1304-F1317 HydrophobicContact CB-CZ 3.48Å; A1304-F1317 VanDerWaalsContact CB-CZ 3.48Å; F1317-F1319 AromaticContact CD1-CD1 3.86Å; F1317-F1319 HydrophobicContact CD1-CD1 3.86Å; F1317-F1319 HydrophobicContact CD1-CE1 4.33Å; F1317-F1319 AromaticContact CE1-CD1 3.62Å; F1317-F1319 HydrophobicContact CE1-CD1 3.62Å; F1317-F1319 HydrophobicContact CE1-CE1 4.16Å; F1317-F1319 HydrophobicContact CE1-CG 4.38Å; F1317-L1351 HydrophobicContact CE1-CD2 4.47Å |
| 1318 | R | 88.5 | Confident | 74 | Confident | 49 Ų | 49 | 37.2 Ų | 37.2 | 19% | 0.185 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.3 | 178.8 | -178.2 | -179.8 | 174.5 | 106.1 | -2 | 109.9 | E1204 I1243 T1244 A1304 Q1305 I1307 E1320 | E1204-R1318 IonicContact OE2-CZ 2.6Å; E1204-R1318 IonicContact OE2-NH1 2.75Å; E1204-R1318 PolarHBondContact OE2-NH1 3.45Å; E1204-R1318 IonicContact OE2-NH2 2.6Å; E1204-R1318 PolarHBondContact OE2-NH2 3.4Å; I1243-R1318 CarbonylContact O-C 3.57Å; I1243-R1318 WeakPolarHBondContact O-CA 3.49Å; T1244-R1318 HydrophobicContact CG2-CB 4.23Å; A1304-R1318 CarbonylContact C-O 3.58Å; A1304-R1318 WeakPolarHBondContact CA-O 3.2Å; Q1305-R1318 PolarHBondContact N-O 2.98Å; Q1305-R1318 PolarHBondContact O-N 2.98Å; I1307-R1318 HydrophobicContact CD1-CB 3.74Å; I1307-R1318 HydrophobicContact CD1-CG 4.44Å; I1307-R1318 HydrophobicContact CG1-CB 4.42Å; R1318-E1320 IonicContact CZ-OE1 3.06Å; R1318-E1320 IonicContact NE-OE1 3.23Å; R1318-E1320 PolarHBondContact NE-OE1 3.37Å; R1318-E1320 IonicContact NH2-OE1 3.74Å; R1318-E1320 PolarHBondContact NH2-OE1 2.82Å |
| 1319 | F | 90.2 | Very high | 74.5 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151 | 168.7 | 60.8 | -80.5 | 0 | 0 | 0 | 110.8 | A1242 I1243 L1245 I1273 V1276 L1301 A1304 F1317 L1351 M1362 | A1242-F1319 WeakPolarHBondContact CA-O 3.29Å; I1243-F1319 HydrophobicContact CB-CD1 4.21Å; I1243-F1319 HydrophobicContact CB-CD2 4.36Å; I1243-F1319 HydrophobicContact CB-CE1 3.81Å; I1243-F1319 HydrophobicContact CB-CE2 3.99Å; I1243-F1319 HydrophobicContact CB-CG 4.48Å; I1243-F1319 HydrophobicContact CB-CZ 3.69Å; I1243-F1319 HydrophobicContact CD1-CE2 3.69Å; I1243-F1319 HydrophobicContact CD1-CZ 3.85Å; I1243-F1319 HydrophobicContact CG1-CE2 4.28Å; I1243-F1319 HydrophobicContact CG1-CZ 4.33Å; I1243-F1319 HydrophobicContact CG2-CE1 3.73Å; I1243-F1319 HydrophobicContact CG2-CE2 4.44Å; I1243-F1319 HydrophobicContact CG2-CZ 3.68Å; I1243-F1319 PolarHBondContact N-O 2.89Å; I1243-F1319 WeakPolarHBondContact O-CD1 3.2Å; I1243-F1319 PolarHBondContact O-N 3.41Å; L1245-F1319 HydrophobicContact CD1-CE1 4.49Å; L1245-F1319 HydrophobicContact CD2-CE1 4.26Å; L1245-F1319 HydrophobicContact CG-CE1 4.19Å; I1273-F1319 HydrophobicContact CD1-CB 3.37Å; I1273-F1319 HydrophobicContact CD1-CD1 3.95Å; I1273-F1319 HydrophobicContact CD1-CD2 3.76Å; I1273-F1319 HydrophobicContact CD1-CE2 4.47Å; I1273-F1319 HydrophobicContact CD1-CG 3.45Å; I1273-F1319 VanDerWaalsContact CD1-CG 3.45Å; I1273-F1319 HydrophobicContact CG1-CB 4.28Å; I1273-F1319 HydrophobicContact CG1-CD1 4.06Å; I1273-F1319 HydrophobicContact CG1-CD2 3.75Å; I1273-F1319 HydrophobicContact CG1-CE1 4.28Å; I1273-F1319 HydrophobicContact CG1-CE2 3.96Å; I1273-F1319 HydrophobicContact CG1-CG 3.79Å; I1273-F1319 HydrophobicContact CG1-CZ 4.22Å; I1273-F1319 HydrophobicContact CG2-CE2 4.44Å; V1276-F1319 HydrophobicContact CG2-CD2 4.41Å; V1276-F1319 HydrophobicContact CG2-CE2 3.83Å; L1301-F1319 HydrophobicContact CD2-CD2 3.93Å; A1304-F1319 HydrophobicContact CB-CB 4.04Å; F1317-F1319 AromaticContact CD1-CD1 3.86Å; F1317-F1319 HydrophobicContact CD1-CD1 3.86Å; F1317-F1319 HydrophobicContact CD1-CE1 4.33Å; F1317-F1319 AromaticContact CE1-CD1 3.62Å; F1317-F1319 HydrophobicContact CE1-CD1 3.62Å; F1317-F1319 HydrophobicContact CE1-CE1 4.16Å; F1317-F1319 HydrophobicContact CE1-CG 4.38Å; F1319-L1351 HydrophobicContact CE1-CD2 3.75Å; F1319-L1351 HydrophobicContact CZ-CD2 3.73Å; F1319-M1362 HydrophobicContact CE1-CE 4.38Å; F1319-M1362 HydrophobicContact CZ-CE 3.9Å |
| 1320 | E | 91 | Very high | 75.5 | Confident | 26 Ų | 26 | 33.9 Ų | 33.9 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.9 | 177.9 | -49.4 | -166.4 | 160.4 | 0 | 0 | 109.7 | R1240 L1241 A1242 L1302 R1318 | R1240-E1320 WeakPolarHBondContact CD-OE2 3.49Å; R1240-E1320 IonicContact CZ-OE2 3.65Å; R1240-E1320 IonicContact NE-OE2 3.01Å; R1240-E1320 IonicContact NH1-OE2 3.03Å; R1240-E1320 PolarHBondContact NH1-OE2 2.84Å; L1241-E1320 CarbonylContact O-C 3.56Å; L1241-E1320 WeakPolarHBondContact O-CA 3.27Å; A1242-E1320 HydrophobicContact CB-CB 4.47Å; A1242-E1320 HydrophobicContact CB-CG 3.78Å; L1302-E1320 HydrophobicContact CB-CB 4.17Å; L1302-E1320 WeakPolarHBondContact CB-O 3.34Å; L1302-E1320 HydrophobicContact CD1-CB 4.06Å; L1302-E1320 WeakPolarHBondContact CD1-O 3.39Å; L1302-E1320 HydrophobicContact CD2-CB 4.45Å; L1302-E1320 HydrophobicContact CG-CB 4.45Å; L1302-E1320 PolarHBondContact N-O 2.92Å; R1318-E1320 IonicContact CZ-OE1 3.06Å; R1318-E1320 IonicContact NE-OE1 3.23Å; R1318-E1320 PolarHBondContact NE-OE1 3.37Å; R1318-E1320 IonicContact NH2-OE1 3.74Å; R1318-E1320 PolarHBondContact NH2-OE1 2.82Å |
| 1321 | A | 90.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | R1240 L1241 V1276 L1299 S1300 L1301 W1323 | R1240-A1321 CarbonylContact C-O 3.54Å; R1240-A1321 VanDerWaalsContact CA-O 3.3Å; R1240-A1321 WeakPolarHBondContact CA-O 3.38Å; L1241-A1321 PolarHBondContact N-O 2.91Å; L1241-A1321 PolarHBondContact O-N 3.12Å; V1276-A1321 HydrophobicContact CB-CB 4.44Å; V1276-A1321 HydrophobicContact CG1-CB 4.44Å; L1299-A1321 HydrophobicContact CB-CB 3.87Å; L1299-A1321 HydrophobicContact CD1-CB 3.78Å; L1299-A1321 HydrophobicContact CG-CB 4.5Å; S1300-A1321 WeakPolarHBondContact O-CA 3.27Å; L1301-A1321 HydrophobicContact CD2-CB 4.39Å; A1321-W1323 PolarHBondContact O-N 2.67Å |
| 1322 | A | 89.5 | Confident | 78.5 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S1300 L1302 | S1300-A1322 PolarHBondContact O-N 3.39Å; L1302-A1322 HydrophobicContact CD1-CB 4.25Å |
| 1323 | W | 89.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 132.4 | -175.2 | 173.1 | 57.5 | 0 | 0 | 0 | 111.2 | I1205 I1233 R1239 L1241 L1299 A1321 H1328 L1333 M1345 M1368 | I1205-W1323 HydrophobicContact CD1-CZ3 4.07Å; I1205-W1323 HydrophobicContact CG2-CE3 4.33Å; I1205-W1323 HydrophobicContact CG2-CZ3 4.03Å; I1233-W1323 HydrophobicContact CD1-CH2 3.88Å; I1233-W1323 HydrophobicContact CD1-CZ3 4.39Å; R1239-W1323 CarbonylContact C-O 3.51Å; R1239-W1323 WeakPolarHBondContact CA-O 3.31Å; R1239-W1323 HydrophobicContact CB-CE3 3.86Å; R1239-W1323 HydrophobicContact CB-CZ3 4.35Å; R1239-W1323 WeakPolarHBondContact CB-O 3.2Å; R1239-W1323 PolarHBondContact N-O 3.16Å; R1239-W1323 PolarHBondContact O-N 3.09Å; L1241-W1323 HydrophobicContact CD1-CB 4.17Å; L1241-W1323 HydrophobicContact CD1-CD2 4.43Å; L1241-W1323 HydrophobicContact CD1-CG 4.17Å; L1241-W1323 HydrophobicContact CD2-CD2 4.23Å; L1241-W1323 HydrophobicContact CD2-CE3 3.67Å; L1241-W1323 HydrophobicContact CD2-CZ3 4.31Å; L1241-W1323 HydrophobicContact CG-CB 3.88Å; L1241-W1323 HydrophobicContact CG-CD2 4.36Å; L1241-W1323 HydrophobicContact CG-CE3 4.23Å; L1241-W1323 HydrophobicContact CG-CG 4.22Å; L1299-W1323 HydrophobicContact CD1-CB 4.19Å; L1299-W1323 HydrophobicContact CD2-CB 4.48Å; A1321-W1323 PolarHBondContact O-N 2.67Å; W1323-H1328 AromaticContact CD1-NE2 3.94Å; W1323-H1328 AromaticContact NE1-CD2 3.5Å; W1323-H1328 AromaticContact NE1-NE2 3.23Å; W1323-H1328 PolarHBondContact NE1-NE2 2.96Å; W1323-L1333 HydrophobicContact CZ2-CD1 4.5Å; W1323-L1333 HydrophobicContact CZ2-CD2 4.25Å; W1323-M1345 HydrophobicContact CZ2-CE 3.52Å; W1323-M1345 HydrophobicContact CZ2-SD 4.28Å; W1323-M1368 HydrophobicContact CH2-CE 3.94Å; W1323-M1368 HydrophobicContact CH2-SD 3.67Å; W1323-M1368 HydrophobicContact CZ2-CE 4.43Å; W1323-M1368 HydrophobicContact CZ2-SD 4.29Å |
| 1324 | D | 80.9 | Confident | 80.8 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | trans | -129.6 | 127.1 | 175.7 | -169.8 | -36.4 | 0 | 0 | 0 | 109.2 | S1326 L1327 | D1324-S1326 VanDerWaalsContact CG-OG 3.23Å; D1324-S1326 PolarHBondContact O-N 2.87Å; D1324-S1326 VanDerWaalsContact O-N 3.17Å; D1324-S1326 WeakPolarHBondContact OD1-CB 3.37Å; D1324-S1326 PolarHBondContact OD1-N 2.73Å; D1324-S1326 PolarHBondContact OD1-OG 3.38Å; D1324-S1326 PolarHBondContact OD2-OG 2.81Å; D1324-L1327 HydrophobicContact CB-CD1 4.13Å; D1324-L1327 HydrophobicContact CB-CG 4.13Å; D1324-L1327 PolarHBondContact O-N 2.78Å; D1324-L1327 VanDerWaalsContact O-N 3.15Å | ||
| 1325 | S | 79.4 | Confident | 81.7 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -56.8 | -25.6 | 176.2 | 32.1 | 0 | 0 | 0 | 0 | 113.2 | R1239 H1328 N1334 | R1239-S1325 PolarHBondContact NH1-OG 2.94Å; R1239-S1325 PolarHBondContact NH2-OG 3.45Å; S1325-H1328 PolarHBondContact O-N 3.3Å; S1325-N1334 PolarHBondContact O-ND2 2.96Å; S1325-N1334 VanDerWaalsContact O-ND2 3.15Å; S1325-N1334 PolarHBondContact O-OD1 2.81Å |
| 1326 | S | 76 | Confident | 82.5 | Confident | 52 Ų | 52 | 38 Ų | 38 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -86.2 | -1.3 | -179.7 | 71.9 | 0 | 0 | 0 | 0 | 115.3 | R168 D1324 N1334 | R168-S1326 PolarHBondContact NH2-O 2.77Å; R168-S1326 VanDerWaalsContact NH2-O 3.16Å; D1324-S1326 VanDerWaalsContact CG-OG 3.23Å; D1324-S1326 PolarHBondContact O-N 2.87Å; D1324-S1326 VanDerWaalsContact O-N 3.17Å; D1324-S1326 WeakPolarHBondContact OD1-CB 3.37Å; D1324-S1326 PolarHBondContact OD1-N 2.73Å; D1324-S1326 PolarHBondContact OD1-OG 3.38Å; D1324-S1326 PolarHBondContact OD2-OG 2.81Å; S1326-N1334 VanDerWaalsContact CA-OD1 3.26Å; S1326-N1334 WeakPolarHBondContact CA-OD1 3.45Å |
| 1327 | L | 76 | Confident | 82.7 | Confident | 84 Ų | 84 | 38.5 Ų | 38.5 | 44% | 0.44 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -78.5 | -29.1 | 164.9 | -64.8 | 170.5 | 0 | 0 | 0 | 111.3 | L1297 D1324 | L1297-L1327 HydrophobicContact CD1-CB 3.61Å; D1324-L1327 HydrophobicContact CB-CD1 4.13Å; D1324-L1327 HydrophobicContact CB-CG 4.13Å; D1324-L1327 PolarHBondContact O-N 2.78Å; D1324-L1327 VanDerWaalsContact O-N 3.15Å |
| 1328 | H | 75.2 | Confident | 82.3 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -76.2 | 127.3 | 175.2 | -69.1 | -92.2 | 0 | 0 | 0 | 110.1 | V1281 L1297 W1323 S1325 S1330 L1333 N1334 M1345 | V1281-H1328 VanDerWaalsContact CG2-ND1 3.33Å; V1281-H1328 WeakPolarHBondContact CG2-ND1 3.36Å; L1297-H1328 HydrophobicContact CD1-CB 4.45Å; W1323-H1328 AromaticContact CD1-NE2 3.94Å; W1323-H1328 AromaticContact NE1-CD2 3.5Å; W1323-H1328 AromaticContact NE1-NE2 3.23Å; W1323-H1328 PolarHBondContact NE1-NE2 2.96Å; S1325-H1328 PolarHBondContact O-N 3.3Å; H1328-S1330 PolarHBondContact O-N 3.4Å; H1328-S1330 VanDerWaalsContact O-N 3.08Å; H1328-L1333 HydrophobicContact CB-CD1 3.68Å; H1328-N1334 PolarHBondContact O-ND2 2.97Å; H1328-M1345 VanDerWaalsContact CE1-CE 3.5Å; H1328-M1345 WeakPolarHBondContact CE1-CE 3.12Å; H1328-M1345 VanDerWaalsContact NE2-CE 3.28Å; H1328-M1345 WeakPolarHBondContact NE2-CE 3.47Å |
| 1329 | A | 71.2 | Confident | 81.2 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | trans | -69.8 | 0.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | H1295 | H1295-A1329 VanDerWaalsContact CD2-CB 3.49Å; H1295-A1329 WeakPolarHBondContact CD2-CB 3.48Å | ||
| 1330 | S | 77.4 | Confident | 80 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | trans | -76.5 | 134.6 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | H1328 L1332 N1334 | H1328-S1330 PolarHBondContact O-N 3.4Å; H1328-S1330 VanDerWaalsContact O-N 3.08Å; S1330-L1332 PolarHBondContact O-N 2.68Å; S1330-L1332 WeakPolarHBondContact OG-CB 3.37Å; S1330-L1332 WeakPolarHBondContact OG-CG 3.34Å; S1330-L1332 PolarHBondContact OG-N 3Å; S1330-N1334 PolarHBondContact O-ND2 2.97Å | ||
| 1331 | K | 80.2 | Confident | 79.3 | Confident | 168 Ų | 168 | 49.8 Ų | 49.8 | 73% | 0.73 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.1 | -22.6 | 173.3 | -68.4 | 174.1 | -176.3 | 168.2 | 0 | 112.6 | N1334 N1335 | K1331-N1334 PolarHBondContact O-N 3.03Å; K1331-N1335 WeakPolarHBondContact O-CB 3.18Å; K1331-N1335 PolarHBondContact O-N 3.27Å; K1331-N1335 VanDerWaalsContact O-N 3.13Å; K1331-N1335 PolarHBondContact O-ND2 2.79Å |
| 1332 | L | 83.4 | Confident | 79 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -43.8 | -172.5 | -54.3 | -177 | 0 | 0 | 0 | 112.3 | V1281 E1283 S1330 V1343 | V1281-L1332 HydrophobicContact CG1-CB 4.36Å; V1281-L1332 HydrophobicContact CG1-CD1 4.4Å; E1283-L1332 HydrophobicContact CG-CD1 3.58Å; E1283-L1332 HydrophobicContact CG-CD2 3.57Å; E1283-L1332 HydrophobicContact CG-CG 4.21Å; E1283-L1332 WeakPolarHBondContact OE1-CD2 3.28Å; S1330-L1332 PolarHBondContact O-N 2.68Å; S1330-L1332 WeakPolarHBondContact OG-CB 3.37Å; S1330-L1332 WeakPolarHBondContact OG-CG 3.34Å; S1330-L1332 PolarHBondContact OG-N 3Å; L1332-V1343 HydrophobicContact CB-CG1 3.77Å; L1332-V1343 HydrophobicContact CB-CG2 3.91Å; L1332-V1343 HydrophobicContact CD1-CG1 4.42Å |
| 1333 | L | 83.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -82.2 | -20.7 | -180 | -64.2 | 167.8 | 0 | 0 | 0 | 113.5 | V1281 W1323 H1328 V1343 M1345 M1368 | V1281-L1333 HydrophobicContact CB-CD1 4.36Å; V1281-L1333 HydrophobicContact CG1-CD1 3.57Å; V1281-L1333 HydrophobicContact CG1-CD2 4.43Å; V1281-L1333 HydrophobicContact CG1-CG 3.71Å; V1281-L1333 HydrophobicContact CG2-CD1 3.84Å; W1323-L1333 HydrophobicContact CZ2-CD1 4.5Å; W1323-L1333 HydrophobicContact CZ2-CD2 4.25Å; H1328-L1333 HydrophobicContact CB-CD1 3.68Å; L1333-V1343 HydrophobicContact CD2-CB 4.36Å; L1333-V1343 HydrophobicContact CD2-CG1 3.71Å; L1333-V1343 HydrophobicContact CG-CG1 4.1Å; L1333-M1345 HydrophobicContact CD1-CE 3.34Å; L1333-M1345 HydrophobicContact CD2-CE 4.08Å; L1333-M1345 HydrophobicContact CG-CE 4.35Å; L1333-M1368 HydrophobicContact CD2-CE 4.38Å; L1333-M1368 HydrophobicContact CD2-CG 4.41Å; L1333-M1368 HydrophobicContact CD2-SD 3.34Å; L1333-M1368 WeakPolarHBondContact CD2-SD 3.46Å |
| 1334 | N | 79.8 | Confident | 78.8 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -95.6 | -18.1 | -172.5 | -76.6 | -68.2 | 0 | 0 | 0 | 113.4 | Q1235 S1325 S1326 H1328 S1330 K1331 | Q1235-N1334 PolarHBondContact NE2-O 2.81Å; S1325-N1334 PolarHBondContact O-ND2 2.96Å; S1325-N1334 VanDerWaalsContact O-ND2 3.15Å; S1325-N1334 PolarHBondContact O-OD1 2.81Å; S1326-N1334 VanDerWaalsContact CA-OD1 3.26Å; S1326-N1334 WeakPolarHBondContact CA-OD1 3.45Å; H1328-N1334 PolarHBondContact O-ND2 2.97Å; S1330-N1334 PolarHBondContact O-ND2 2.97Å; K1331-N1334 PolarHBondContact O-N 3.03Å |
| 1335 | N | 82.1 | Confident | 79.1 | Confident | 91 Ų | 91 | 50.2 Ų | 50.2 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -100 | 161.6 | 173.5 | -70.2 | -27.4 | 0 | 0 | 0 | 111.3 | K1331 T1337 V1370 | K1331-N1335 WeakPolarHBondContact O-CB 3.18Å; K1331-N1335 PolarHBondContact O-N 3.27Å; K1331-N1335 VanDerWaalsContact O-N 3.13Å; K1331-N1335 PolarHBondContact O-ND2 2.79Å; N1335-T1337 PolarHBondContact O-N 3.4Å; N1335-V1370 WeakPolarHBondContact O-CB 3.42Å; N1335-V1370 WeakPolarHBondContact O-CG1 3.49Å |
| 1336 | V | 83.9 | Confident | 79.6 | Confident | 59 Ų | 59 | 50.1 Ų | 50.1 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 128.5 | 162.1 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | Q1235 V1370 P1372 | Q1235-V1336 HydrophobicContact CB-CG2 4.35Å; V1336-V1370 VanDerWaalsContact CA-O 3.31Å; V1336-V1370 WeakPolarHBondContact CA-O 3.45Å; V1336-V1370 WeakPolarHBondContact CG1-O 3.41Å; V1336-P1372 HydrophobicContact CG1-CG 3.91Å; V1336-P1372 HydrophobicContact CG2-CB 4.24Å; V1336-P1372 HydrophobicContact CG2-CG 4.13Å |
| 1337 | T | 82.3 | Confident | 80.3 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 133.9 | 174.1 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | N1335 Q1341 V1343 I1369 V1370 | N1335-T1337 PolarHBondContact O-N 3.4Å; T1337-Q1341 HydrophobicContact CG2-CG 4.47Å; T1337-V1343 HydrophobicContact CG2-CG2 3.66Å; T1337-I1369 WeakPolarHBondContact OG1-CG2 3.2Å; T1337-V1370 HydrophobicContact CG2-CB 4.08Å; T1337-V1370 HydrophobicContact CG2-CG2 4.08Å; T1337-V1370 PolarHBondContact N-O 3.44Å; T1337-V1370 PolarHBondContact OG1-N 3.46Å; T1337-V1370 PolarHBondContact OG1-O 3.19Å |
| 1338 | S | 77.4 | Confident | 80.9 | Confident | 74 Ų | 74 | 43.8 Ų | 43.8 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 161.6 | 172.3 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | G1340 Q1341 | S1338-G1340 PolarHBondContact O-N 2.82Å; S1338-Q1341 VanDerWaalsContact O-CB 3.31Å; S1338-Q1341 WeakPolarHBondContact O-CB 3.35Å; S1338-Q1341 PolarHBondContact O-N 3.16Å; S1338-Q1341 WeakPolarHBondContact OG-CB 3.43Å; S1338-Q1341 PolarHBondContact OG-OE1 2.98Å |
| 1339 | N | 65.7 | Low | 81.6 | Confident | 139 Ų | 139 | 43.5 Ų | 43.5 | 74% | 0.743 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 112.6 | -175.1 | -74.3 | -13.3 | 0 | 0 | 0 | 111.6 | ||
| 1340 | G | 64.5 | Low | 82.5 | Confident | 58 Ų | 58 | 41 Ų | 41 | 60% | 0.598 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -14.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1338 R1342 | S1338-G1340 PolarHBondContact O-N 2.82Å; G1340-R1342 PolarHBondContact O-N 2.81Å |
| 1341 | Q | 76.4 | Confident | 82.9 | Confident | 51 Ų | 51 | 39.7 Ų | 39.7 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | trans | -72.9 | 125.5 | 176.1 | -170.7 | -178.3 | 12.8 | 0 | 0 | 110 | E1283 T1337 S1338 | E1283-Q1341 PolarHBondContact OE1-NE2 3.3Å; T1337-Q1341 HydrophobicContact CG2-CG 4.47Å; S1338-Q1341 VanDerWaalsContact O-CB 3.31Å; S1338-Q1341 WeakPolarHBondContact O-CB 3.35Å; S1338-Q1341 PolarHBondContact O-N 3.16Å; S1338-Q1341 WeakPolarHBondContact OG-CB 3.43Å; S1338-Q1341 PolarHBondContact OG-OE1 2.98Å | ||
| 1342 | R | 84 | Confident | 83.1 | Confident | 48 Ų | 48 | 36.6 Ų | 36.6 | 18% | 0.181 | 21% | 0.205 | C | C | . | . | trans | -103.5 | 158.2 | 169.6 | -71 | 176.8 | 173.5 | 160.8 | -2.4 | 109.3 | G1340 Y1344 I1369 | G1340-R1342 PolarHBondContact O-N 2.81Å; R1342-Y1344 HydrophobicContact CB-CD2 4.42Å; R1342-Y1344 HydrophobicContact CB-CE2 3.77Å; R1342-Y1344 VanDerWaalsContact CD-OH 3.29Å; R1342-Y1344 WeakPolarHBondContact CD-OH 3.43Å; R1342-I1369 HydrophobicContact CG-CG1 4.42Å | ||
| 1343 | V | 86.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.1 | 166.4 | -169.9 | 0 | 0 | 0 | 0 | 108.1 | V1281 L1332 L1333 T1337 M1368 | V1281-V1343 HydrophobicContact CG1-CG1 3.81Å; L1332-V1343 HydrophobicContact CB-CG1 3.77Å; L1332-V1343 HydrophobicContact CB-CG2 3.91Å; L1332-V1343 HydrophobicContact CD1-CG1 4.42Å; L1333-V1343 HydrophobicContact CD2-CB 4.36Å; L1333-V1343 HydrophobicContact CD2-CG1 3.71Å; L1333-V1343 HydrophobicContact CG-CG1 4.1Å; T1337-V1343 HydrophobicContact CG2-CG2 3.66Å; V1343-M1368 HydrophobicContact CB-CG 3.97Å; V1343-M1368 PolarHBondContact N-O 3.35Å; V1343-M1368 WeakPolarHBondContact O-CG 3.37Å; V1343-M1368 PolarHBondContact O-N 3.05Å |
| 1344 | Y | 88.2 | Confident | 82.3 | Confident | 19 Ų | 19 | 37.3 Ų | 37.3 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.3 | 176.3 | -61 | -88.2 | 0 | 0 | 0 | 109.7 | L1171 V1281 R1282 E1283 N1284 P1285 R1342 I1366 A1367 | L1171-Y1344 HydrophobicContact CD1-CD1 4.01Å; L1171-Y1344 HydrophobicContact CD1-CE1 4Å; L1171-Y1344 HydrophobicContact CD2-CD1 3.58Å; L1171-Y1344 HydrophobicContact CD2-CE1 3.73Å; L1171-Y1344 HydrophobicContact CD2-CG 4.45Å; L1171-Y1344 HydrophobicContact CG-CD1 4.29Å; L1171-Y1344 HydrophobicContact CG-CE1 4.13Å; V1281-Y1344 WeakPolarHBondContact CA-O 3.46Å; R1282-Y1344 PolarHBondContact N-O 3.37Å; R1282-Y1344 PolarHBondContact O-N 3.43Å; E1283-Y1344 WeakPolarHBondContact O-CD2 3.46Å; E1283-Y1344 VanDerWaalsContact O-CE2 3.29Å; E1283-Y1344 WeakPolarHBondContact O-CE2 3.32Å; N1284-Y1344 VanDerWaalsContact C-CD2 3.49Å; N1284-Y1344 WeakPolarHBondContact O-CD2 3.32Å; P1285-Y1344 HydrophobicContact CB-CE1 4.31Å; P1285-Y1344 HydrophobicContact CB-CE2 4.49Å; R1342-Y1344 HydrophobicContact CB-CD2 4.42Å; R1342-Y1344 HydrophobicContact CB-CE2 3.77Å; R1342-Y1344 VanDerWaalsContact CD-OH 3.29Å; R1342-Y1344 WeakPolarHBondContact CD-OH 3.43Å; Y1344-I1366 WeakPolarHBondContact CA-O 3.31Å; Y1344-A1367 HydrophobicContact CD1-CB 3.75Å; Y1344-A1367 HydrophobicContact CE1-CB 3.6Å |
| 1345 | M | 88.7 | Confident | 81.7 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.2 | 179.6 | 173 | -174.9 | -62.6 | 0 | 0 | 109.6 | V1278 V1281 W1323 H1328 L1333 D1365 I1366 M1368 | V1278-M1345 HydrophobicContact CB-CG 4.26Å; V1278-M1345 HydrophobicContact CB-SD 3.77Å; V1278-M1345 HydrophobicContact CG1-SD 4.01Å; V1278-M1345 HydrophobicContact CG2-SD 4.29Å; V1281-M1345 HydrophobicContact CG2-CB 4.48Å; V1281-M1345 HydrophobicContact CG2-CE 3.97Å; V1281-M1345 HydrophobicContact CG2-CG 4.32Å; W1323-M1345 HydrophobicContact CZ2-CE 3.52Å; W1323-M1345 HydrophobicContact CZ2-SD 4.28Å; H1328-M1345 VanDerWaalsContact CE1-CE 3.5Å; H1328-M1345 WeakPolarHBondContact CE1-CE 3.12Å; H1328-M1345 VanDerWaalsContact NE2-CE 3.28Å; H1328-M1345 WeakPolarHBondContact NE2-CE 3.47Å; L1333-M1345 HydrophobicContact CD1-CE 3.34Å; L1333-M1345 HydrophobicContact CD2-CE 4.08Å; L1333-M1345 HydrophobicContact CG-CE 4.35Å; M1345-D1365 WeakPolarHBondContact O-CA 3.14Å; M1345-I1366 PolarHBondContact N-O 3.02Å; M1345-I1366 PolarHBondContact O-N 2.93Å; M1345-M1368 HydrophobicContact CB-CE 4.19Å; M1345-M1368 HydrophobicContact CE-CE 4.45Å |
| 1346 | T | 88.9 | Confident | 81 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 136.6 | 172 | -47.9 | 0 | 0 | 0 | 0 | 110.2 | S1174 V1177 V1278 G1279 R1282 T1363 D1365 | S1174-T1346 PolarHBondContact OG-OG1 3.41Å; V1177-T1346 HydrophobicContact CG2-CG2 3.57Å; V1278-T1346 CarbonylContact C-O 3.58Å; V1278-T1346 WeakPolarHBondContact CA-O 3.43Å; G1279-T1346 PolarHBondContact N-O 3.23Å; G1279-T1346 PolarHBondContact O-N 2.7Å; G1279-T1346 VanDerWaalsContact O-N 3.08Å; R1282-T1346 PolarHBondContact NH1-OG1 2.95Å; T1346-T1363 HydrophobicContact CG2-CG2 3.69Å; T1346-D1365 WeakPolarHBondContact CA-OD1 3.36Å; T1346-D1365 WeakPolarHBondContact CB-OD1 3.49Å; T1346-D1365 PolarHBondContact OG1-OD1 3.37Å |
| 1347 | M | 90.2 | Very high | 80.3 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.2 | 174.7 | 178.4 | 174.1 | 62.9 | 0 | 0 | 110.4 | F1203 L1241 I1243 V1276 V1277 V1278 T1363 K1364 I1366 | F1203-M1347 HydrophobicContact CD1-CE 3.56Å; F1203-M1347 HydrophobicContact CE1-CE 3.64Å; L1241-M1347 HydrophobicContact CB-SD 4.32Å; L1241-M1347 HydrophobicContact CD1-SD 3.51Å; L1241-M1347 VanDerWaalsContact CD1-SD 3.51Å; I1243-M1347 HydrophobicContact CD1-CE 3.49Å; I1243-M1347 VanDerWaalsContact CD1-CE 3.49Å; I1243-M1347 HydrophobicContact CD1-SD 3.8Å; I1243-M1347 HydrophobicContact CG1-CE 4.28Å; V1276-M1347 HydrophobicContact CG1-CG 3.88Å; V1276-M1347 HydrophobicContact CG1-SD 4.01Å; V1277-M1347 CarbonylContact O-C 3.53Å; V1277-M1347 WeakPolarHBondContact O-CA 3.47Å; V1278-M1347 HydrophobicContact CG1-CB 3.84Å; V1278-M1347 HydrophobicContact CG1-CG 3.76Å; V1278-M1347 HydrophobicContact CG1-SD 4.31Å; M1347-T1363 CarbonylContact O-C 3.54Å; M1347-T1363 VanDerWaalsContact O-CA 3.28Å; M1347-T1363 WeakPolarHBondContact O-CA 3.22Å; M1347-K1364 PolarHBondContact N-O 2.76Å; M1347-K1364 PolarHBondContact O-N 3.15Å; M1347-I1366 HydrophobicContact CB-CD1 4.35Å; M1347-I1366 HydrophobicContact CE-CD1 3.94Å; M1347-I1366 HydrophobicContact SD-CD1 4.28Å |
| 1348 | S | 90 | Very high | 79.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.4 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | P1176 V1177 V1276 V1277 M1362 T1363 | P1176-S1348 WeakPolarHBondContact CA-OG 3.2Å; V1177-S1348 PolarHBondContact N-OG 2.8Å; V1276-S1348 WeakPolarHBondContact CA-O 3.46Å; V1277-S1348 WeakPolarHBondContact CG2-O 3.43Å; V1277-S1348 PolarHBondContact N-O 2.93Å; V1277-S1348 PolarHBondContact O-N 2.78Å; S1348-M1362 CarbonylContact C-O 3.39Å; S1348-M1362 WeakPolarHBondContact CA-O 3.45Å; S1348-T1363 WeakPolarHBondContact CB-OG1 3.4Å; S1348-T1363 WeakPolarHBondContact OG-CG2 3.49Å; S1348-T1363 PolarHBondContact OG-OG1 3.08Å |
| 1349 | S | 89 | Confident | 79.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.8 | -179.3 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | M1362 | S1349-M1362 PolarHBondContact N-O 3.14Å; S1349-M1362 PolarHBondContact O-N 2.86Å |
| 1350 | Y | 89.1 | Confident | 80.3 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 9% | 0.09 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 93 | -179 | -70.7 | -91.9 | 0 | 0 | 0 | 109.7 | V1177 P1179 L1182 I1273 H1274 E1275 V1277 P1359 V1360 C1361 | V1177-Y1350 PolarHBondContact O-OH 3.44Å; V1177-Y1350 VanDerWaalsContact O-OH 3.06Å; P1179-Y1350 HydrophobicContact CB-CD2 4.22Å; P1179-Y1350 HydrophobicContact CB-CE1 4.41Å; P1179-Y1350 HydrophobicContact CB-CE2 3.89Å; P1179-Y1350 WeakPolarHBondContact CD-OH 3.49Å; P1179-Y1350 HydrophobicContact CG-CE1 4.29Å; P1179-Y1350 HydrophobicContact CG-CE2 4.45Å; L1182-Y1350 HydrophobicContact CD1-CD1 3.96Å; L1182-Y1350 HydrophobicContact CD1-CG 4.02Å; I1273-Y1350 WeakPolarHBondContact CG2-O 3.28Å; H1274-Y1350 WeakPolarHBondContact CB-O 3.43Å; H1274-Y1350 PolarHBondContact N-O 3.11Å; E1275-Y1350 PolarHBondContact O-N 2.98Å; V1277-Y1350 HydrophobicContact CG2-CD2 4.36Å; V1277-Y1350 HydrophobicContact CG2-CE2 3.84Å; Y1350-P1359 HydrophobicContact CD1-CG 4.39Å; Y1350-V1360 CarbonylContact C-O 3.57Å; Y1350-V1360 WeakPolarHBondContact CA-O 3.32Å; Y1350-C1361 HydrophobicContact CD1-CB 4.01Å; Y1350-C1361 HydrophobicContact CE1-CB 3.71Å; Y1350-C1361 VanDerWaalsContact CZ-SG 3.52Å |
| 1351 | L | 86.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.9 | -172.3 | -56.7 | 170.5 | 0 | 0 | 0 | 111.7 | L1245 F1270 I1273 F1317 F1319 P1359 V1360 M1362 | L1245-L1351 HydrophobicContact CD1-CD1 3.7Å; L1245-L1351 HydrophobicContact CD1-CD2 4.22Å; L1245-L1351 HydrophobicContact CD2-CD1 4.33Å; F1270-L1351 HydrophobicContact CD1-CD1 4.3Å; F1270-L1351 HydrophobicContact CE1-CD1 4.14Å; I1273-L1351 HydrophobicContact CG1-CD2 3.77Å; I1273-L1351 HydrophobicContact CG2-CD2 4.26Å; F1317-L1351 HydrophobicContact CE1-CD2 4.47Å; F1319-L1351 HydrophobicContact CE1-CD2 3.75Å; F1319-L1351 HydrophobicContact CZ-CD2 3.73Å; L1351-P1359 CarbonylContact O-C 3.58Å; L1351-P1359 WeakPolarHBondContact O-CA 3.24Å; L1351-P1359 VanDerWaalsContact O-CB 3.28Å; L1351-P1359 WeakPolarHBondContact O-CB 3.44Å; L1351-V1360 HydrophobicContact CB-CB 4.37Å; L1351-V1360 PolarHBondContact N-O 3Å; L1351-V1360 PolarHBondContact O-N 2.88Å; L1351-M1362 HydrophobicContact CD1-CB 4.2Å; L1351-M1362 HydrophobicContact CD1-CE 4.31Å; L1351-M1362 HydrophobicContact CD1-SD 4.3Å |
| 1352 | K | 85.2 | Confident | 81.6 | Confident | 103 Ų | 103 | 36.8 Ų | 36.8 | 45% | 0.448 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.6 | 166.1 | -69.4 | -168 | 173.3 | -167.1 | 0 | 109 | F1270 Q1271 G1272 | F1270-K1352 CarbonylContact C-O 3.53Å; Q1271-K1352 HydrophobicContact CB-CB 4.12Å; Q1271-K1352 PolarHBondContact N-O 2.89Å; G1272-K1352 PolarHBondContact N-O 2.82Å; G1272-K1352 PolarHBondContact O-N 2.99Å |
| 1353 | V | 79.2 | Confident | 81.6 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 143 | 178 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | C1268 L1269 F1270 C1356 V1360 L1418 | C1268-V1353 VanDerWaalsContact SG-CG1 3.57Å; L1269-V1353 WeakPolarHBondContact O-CA 3.35Å; F1270-V1353 HydrophobicContact CD1-CG2 3.69Å; F1270-V1353 HydrophobicContact CE1-CG2 3.63Å; V1353-C1356 HydrophobicContact CB-CB 4.3Å; V1353-C1356 VanDerWaalsContact O-CB 3.28Å; V1353-C1356 WeakPolarHBondContact O-CB 3.27Å; V1353-C1356 PolarHBondContact O-N 3.37Å; V1353-V1360 HydrophobicContact CB-CG2 4.35Å; V1353-V1360 HydrophobicContact CG2-CB 4.43Å; V1353-V1360 HydrophobicContact CG2-CG2 3.77Å; V1353-L1418 HydrophobicContact CG1-CD2 4.43Å |
| 1354 | D | 71.1 | Confident | 81.6 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 148.4 | 179.4 | -165.3 | 25.2 | 0 | 0 | 0 | 112.2 | Q1266 L1269 Q1271 C1356 | Q1266-D1354 VanDerWaalsContact NE2-CG 3.29Å; Q1266-D1354 PolarHBondContact NE2-OD1 3.04Å; Q1266-D1354 PolarHBondContact NE2-OD2 2.84Å; L1269-D1354 HydrophobicContact CB-CB 4.12Å; L1269-D1354 PolarHBondContact O-N 2.77Å; Q1271-D1354 HydrophobicContact CG-CB 4.2Å; Q1271-D1354 PolarHBondContact NE2-OD1 3.32Å; D1354-C1356 PolarHBondContact O-N 2.78Å; D1354-C1356 PolarHBondContact O-SG 3.44Å; D1354-C1356 VanDerWaalsContact O-SG 3.36Å |
| 1355 | G | 66.2 | Low | 81.5 | Confident | 62 Ų | 62 | 35.4 Ų | 35.4 | 64% | 0.639 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -11 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1356 | C | 68.6 | Low | 81.5 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 28% | 0.284 | 19% | 0.187 | S | C | . | . | trans | -91.7 | 128.1 | -172.4 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | V1353 D1354 L1420 | V1353-C1356 HydrophobicContact CB-CB 4.3Å; V1353-C1356 VanDerWaalsContact O-CB 3.28Å; V1353-C1356 WeakPolarHBondContact O-CB 3.27Å; V1353-C1356 PolarHBondContact O-N 3.37Å; D1354-C1356 PolarHBondContact O-N 2.78Å; D1354-C1356 PolarHBondContact O-SG 3.44Å; D1354-C1356 VanDerWaalsContact O-SG 3.36Å; C1356-L1420 WeakPolarHBondContact SG-CD2 2.85Å | ||
| 1357 | R | 67.2 | Low | 81.4 | Confident | 220 Ų | 220 | 36.1 Ų | 36.1 | 83% | 0.83 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -78.8 | -31.2 | 178.7 | -72.2 | -176.6 | 174.6 | -179.6 | -2.1 | 114.3 | ||
| 1358 | Q | 69.6 | Low | 81.4 | Confident | 96 Ų | 96 | 36 Ų | 36 | 45% | 0.449 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -111.8 | 148.9 | 174.6 | -75.1 | 174.3 | -34.4 | 0 | 0 | 109 | S1185 | S1185-Q1358 PolarHBondContact OG-NE2 3.47Š|
| 1359 | P | 77.1 | Confident | 81.3 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 21% | 0.208 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 142.3 | 175.6 | 30.7 | -33.9 | 0 | 0 | 0 | 111.4 | L1182 H1274 Y1350 L1351 | L1182-P1359 HydrophobicContact CD1-CG 3.91Å; L1182-P1359 HydrophobicContact CD2-CG 3.73Å; L1182-P1359 HydrophobicContact CG-CG 4.48Å; H1274-P1359 HydrophobicContact CB-CB 4.4Å; Y1350-P1359 HydrophobicContact CD1-CG 4.39Å; L1351-P1359 CarbonylContact O-C 3.58Å; L1351-P1359 WeakPolarHBondContact O-CA 3.24Å; L1351-P1359 VanDerWaalsContact O-CB 3.28Å; L1351-P1359 WeakPolarHBondContact O-CB 3.44Å |
| 1360 | V | 80.2 | Confident | 81.2 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.4 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | Y1350 L1351 V1353 L1418 | Y1350-V1360 CarbonylContact C-O 3.57Å; Y1350-V1360 WeakPolarHBondContact CA-O 3.32Å; L1351-V1360 HydrophobicContact CB-CB 4.37Å; L1351-V1360 PolarHBondContact N-O 3Å; L1351-V1360 PolarHBondContact O-N 2.88Å; V1353-V1360 HydrophobicContact CB-CG2 4.35Å; V1353-V1360 HydrophobicContact CG2-CB 4.43Å; V1353-V1360 HydrophobicContact CG2-CG2 3.77Å; V1360-L1418 HydrophobicContact CB-CD1 4.23Å; V1360-L1418 HydrophobicContact CG1-CD1 3.68Å; V1360-L1418 HydrophobicContact CG2-CD1 3.49Å; V1360-L1418 VanDerWaalsContact CG2-CD1 3.49Å |
| 1361 | C | 82.6 | Confident | 81.1 | Confident | 39 Ų | 39 | 37.8 Ų | 37.8 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 127.7 | 173.6 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | Y1350 | Y1350-C1361 HydrophobicContact CD1-CB 4.01Å; Y1350-C1361 HydrophobicContact CE1-CB 3.71Å; Y1350-C1361 VanDerWaalsContact CZ-SG 3.52Å |
| 1362 | M | 85.3 | Confident | 80.9 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 3% | 0.034 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.1 | 175.6 | 179.4 | -178.3 | 65.6 | 0 | 0 | 109 | V1201 I1243 L1245 F1319 S1348 S1349 L1351 Y1416 | V1201-M1362 HydrophobicContact CG1-CE 4.45Å; V1201-M1362 HydrophobicContact CG1-SD 4.08Å; V1201-M1362 HydrophobicContact CG2-SD 3.89Å; I1243-M1362 HydrophobicContact CG2-CE 3.74Å; L1245-M1362 HydrophobicContact CD2-CE 3.73Å; L1245-M1362 HydrophobicContact CD2-SD 3.53Å; L1245-M1362 VanDerWaalsContact CD2-SD 3.53Å; F1319-M1362 HydrophobicContact CE1-CE 4.38Å; F1319-M1362 HydrophobicContact CZ-CE 3.9Å; S1348-M1362 CarbonylContact C-O 3.39Å; S1348-M1362 WeakPolarHBondContact CA-O 3.45Å; S1349-M1362 PolarHBondContact N-O 3.14Å; S1349-M1362 PolarHBondContact O-N 2.86Å; L1351-M1362 HydrophobicContact CD1-CB 4.2Å; L1351-M1362 HydrophobicContact CD1-CE 4.31Å; L1351-M1362 HydrophobicContact CD1-SD 4.3Å; M1362-Y1416 HydrophobicContact CB-CD1 4.47Å; M1362-Y1416 HydrophobicContact CB-CE1 4.43Å; M1362-Y1416 HydrophobicContact CG-CD1 3.57Å; M1362-Y1416 HydrophobicContact CG-CD2 4.22Å; M1362-Y1416 HydrophobicContact CG-CE1 3.38Å; M1362-Y1416 HydrophobicContact CG-CE2 3.97Å; M1362-Y1416 HydrophobicContact CG-CG 4.05Å; M1362-Y1416 HydrophobicContact SD-CD1 4.47Å; M1362-Y1416 HydrophobicContact SD-CD2 4.14Å; M1362-Y1416 HydrophobicContact SD-CE1 4.47Å; M1362-Y1416 HydrophobicContact SD-CE2 4.03Å; M1362-Y1416 HydrophobicContact SD-CG 4.38Å |
| 1363 | T | 84.7 | Confident | 80.6 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140 | -173.7 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | S1174 T1346 M1347 S1348 Y1416 | S1174-T1363 WeakPolarHBondContact O-CG2 3.35Å; T1346-T1363 HydrophobicContact CG2-CG2 3.69Å; M1347-T1363 CarbonylContact O-C 3.54Å; M1347-T1363 VanDerWaalsContact O-CA 3.28Å; M1347-T1363 WeakPolarHBondContact O-CA 3.22Å; S1348-T1363 WeakPolarHBondContact CB-OG1 3.4Å; S1348-T1363 WeakPolarHBondContact OG-CG2 3.49Å; S1348-T1363 PolarHBondContact OG-OG1 3.08Å; T1363-Y1416 WeakPolarHBondContact O-CE1 3.26Å; T1363-Y1416 PolarHBondContact O-OH 2.97Å |
| 1364 | K | 86.1 | Confident | 80.1 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 136.6 | -178.8 | -175.9 | 65.1 | 173.5 | -177.4 | 0 | 110.1 | F1203 M1347 Y1416 D1457 | F1203-K1364 HydrophobicContact CD1-CB 4.46Å; F1203-K1364 HydrophobicContact CD1-CG 4.23Å; F1203-K1364 HydrophobicContact CD2-CD 4.19Å; F1203-K1364 HydrophobicContact CD2-CG 4.07Å; F1203-K1364 HydrophobicContact CE1-CB 3.86Å; F1203-K1364 HydrophobicContact CE1-CG 4.03Å; F1203-K1364 HydrophobicContact CE2-CB 4.26Å; F1203-K1364 HydrophobicContact CE2-CD 3.87Å; F1203-K1364 HydrophobicContact CE2-CG 3.87Å; F1203-K1364 HydrophobicContact CG-CG 4.25Å; F1203-K1364 HydrophobicContact CZ-CB 3.74Å; F1203-K1364 HydrophobicContact CZ-CD 4.24Å; F1203-K1364 HydrophobicContact CZ-CG 3.85Å; M1347-K1364 PolarHBondContact N-O 2.76Å; M1347-K1364 PolarHBondContact O-N 3.15Å; K1364-Y1416 WeakPolarHBondContact CB-OH 3.46Å; K1364-D1457 IonicContact NZ-OD1 2.71Å; K1364-D1457 PolarHBondContact NZ-OD1 2.89Å; K1364-D1457 IonicContact NZ-OD2 3.74Å; K1364-D1457 PolarHBondContact NZ-OD2 2.62Å |
| 1365 | D | 85.4 | Confident | 80 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132 | 164.7 | -73.6 | -76 | 0 | 0 | 0 | 110.5 | L1171 S1174 R1282 M1345 T1346 | L1171-D1365 HydrophobicContact CB-CB 4.4Å; L1171-D1365 HydrophobicContact CD1-CB 4.08Å; L1171-D1365 HydrophobicContact CD2-CB 4.09Å; L1171-D1365 HydrophobicContact CG-CB 4.43Å; S1174-D1365 WeakPolarHBondContact CB-OD2 3.43Å; S1174-D1365 PolarHBondContact N-OD2 3.23Å; S1174-D1365 VanDerWaalsContact N-OD2 3.1Å; S1174-D1365 PolarHBondContact OG-OD1 2.81Å; S1174-D1365 PolarHBondContact OG-OD2 3.34Å; R1282-D1365 IonicContact CZ-OD1 3.21Å; R1282-D1365 IonicContact NH1-OD1 3.42Å; R1282-D1365 PolarHBondContact NH1-OD1 3.4Å; R1282-D1365 IonicContact NH2-OD1 2.74Å; R1282-D1365 PolarHBondContact NH2-OD1 3.42Å; R1282-D1365 IonicContact NH2-OD2 2.81Å; M1345-D1365 WeakPolarHBondContact O-CA 3.14Å; T1346-D1365 WeakPolarHBondContact CA-OD1 3.36Å; T1346-D1365 WeakPolarHBondContact CB-OD1 3.49Å; T1346-D1365 PolarHBondContact OG1-OD1 3.37Å |
| 1366 | I | 87.9 | Confident | 79.7 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.3 | -177.9 | -55.8 | 178.4 | 0 | 0 | 0 | 108.6 | I1205 F1231 L1241 Y1344 M1345 M1347 M1368 | I1205-I1366 HydrophobicContact CD1-CG2 3.97Å; F1231-I1366 HydrophobicContact CD2-CG2 3.7Å; F1231-I1366 HydrophobicContact CE2-CG2 3.91Å; L1241-I1366 HydrophobicContact CD1-CD1 4.29Å; L1241-I1366 HydrophobicContact CD2-CD1 4.27Å; Y1344-I1366 WeakPolarHBondContact CA-O 3.31Å; M1345-I1366 PolarHBondContact N-O 3.02Å; M1345-I1366 PolarHBondContact O-N 2.93Å; M1347-I1366 HydrophobicContact CB-CD1 4.35Å; M1347-I1366 HydrophobicContact CE-CD1 3.94Å; M1347-I1366 HydrophobicContact SD-CD1 4.28Å; I1366-M1368 HydrophobicContact CB-CE 4.21Å; I1366-M1368 HydrophobicContact CG2-CE 3.68Å |
| 1367 | A | 88.3 | Confident | 78.9 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1171 V1230 F1231 Y1344 | L1171-A1367 HydrophobicContact CD1-CB 4.44Å; V1230-A1367 WeakPolarHBondContact CA-O 3.39Å; V1230-A1367 HydrophobicContact CG2-CB 4.3Å; F1231-A1367 PolarHBondContact N-O 3.08Å; Y1344-A1367 HydrophobicContact CD1-CB 3.75Å; Y1344-A1367 HydrophobicContact CE1-CB 3.6Å |
| 1368 | M | 89.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 160.5 | -178.5 | 65.4 | -168.8 | 74.9 | 0 | 0 | 113.6 | F1231 I1233 W1323 L1333 V1343 M1345 I1366 | F1231-M1368 HydrophobicContact CB-CB 4.28Å; F1231-M1368 VanDerWaalsContact O-CA 3.27Å; F1231-M1368 WeakPolarHBondContact O-CA 3.37Å; F1231-M1368 WeakPolarHBondContact O-CB 3.29Å; I1233-M1368 HydrophobicContact CD1-CB 4.31Å; I1233-M1368 HydrophobicContact CD1-CG 4.17Å; I1233-M1368 HydrophobicContact CD1-SD 3.52Å; I1233-M1368 VanDerWaalsContact CD1-SD 3.52Å; I1233-M1368 HydrophobicContact CG1-CB 4.38Å; W1323-M1368 HydrophobicContact CH2-CE 3.94Å; W1323-M1368 HydrophobicContact CH2-SD 3.67Å; W1323-M1368 HydrophobicContact CZ2-CE 4.43Å; W1323-M1368 HydrophobicContact CZ2-SD 4.29Å; L1333-M1368 HydrophobicContact CD2-CE 4.38Å; L1333-M1368 HydrophobicContact CD2-CG 4.41Å; L1333-M1368 HydrophobicContact CD2-SD 3.34Å; L1333-M1368 WeakPolarHBondContact CD2-SD 3.46Å; V1343-M1368 HydrophobicContact CB-CG 3.97Å; V1343-M1368 PolarHBondContact N-O 3.35Å; V1343-M1368 WeakPolarHBondContact O-CG 3.37Å; V1343-M1368 PolarHBondContact O-N 3.05Å; M1345-M1368 HydrophobicContact CB-CE 4.19Å; M1345-M1368 HydrophobicContact CE-CE 4.45Å; I1366-M1368 HydrophobicContact CB-CE 4.21Å; I1366-M1368 HydrophobicContact CG2-CE 3.68Å |
| 1369 | I | 88 | Confident | 75.8 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.6 | 173.2 | -76.5 | 170.3 | 0 | 0 | 0 | 107.7 | V1230 F1231 L1232 I1233 T1337 R1342 L1371 L1384 | V1230-I1369 HydrophobicContact CG1-CB 4.28Å; V1230-I1369 HydrophobicContact CG1-CD1 3.74Å; V1230-I1369 HydrophobicContact CG1-CG1 3.69Å; F1231-I1369 PolarHBondContact O-N 2.98Å; L1232-I1369 HydrophobicContact CD2-CB 4.21Å; L1232-I1369 HydrophobicContact CD2-CD1 4.4Å; I1233-I1369 WeakPolarHBondContact CG1-O 3.39Å; I1233-I1369 PolarHBondContact N-O 3.45Å; T1337-I1369 WeakPolarHBondContact OG1-CG2 3.2Å; R1342-I1369 HydrophobicContact CG-CG1 4.42Å; I1369-L1371 HydrophobicContact CG2-CD2 3.84Å; I1369-L1371 HydrophobicContact CG2-CG 4.38Å; I1369-L1384 HydrophobicContact CD1-CD1 3.49Å; I1369-L1384 VanDerWaalsContact CD1-CD1 3.49Å |
| 1370 | V | 87.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 99.9 | -176.7 | -170.4 | 0 | 0 | 0 | 0 | 110 | I1233 Q1235 N1335 V1336 T1337 | I1233-V1370 HydrophobicContact CD1-CG2 4.11Å; I1233-V1370 HydrophobicContact CG1-CG2 4.17Å; I1233-V1370 CarbonylContact O-C 3.59Å; I1233-V1370 WeakPolarHBondContact O-CA 3.35Å; Q1235-V1370 HydrophobicContact CB-CG1 3.85Å; Q1235-V1370 HydrophobicContact CG-CG1 4.21Å; N1335-V1370 WeakPolarHBondContact O-CB 3.42Å; N1335-V1370 WeakPolarHBondContact O-CG1 3.49Å; V1336-V1370 VanDerWaalsContact CA-O 3.31Å; V1336-V1370 WeakPolarHBondContact CA-O 3.45Å; V1336-V1370 WeakPolarHBondContact CG1-O 3.41Å; T1337-V1370 HydrophobicContact CG2-CB 4.08Å; T1337-V1370 HydrophobicContact CG2-CG2 4.08Å; T1337-V1370 PolarHBondContact N-O 3.44Å; T1337-V1370 PolarHBondContact OG1-N 3.46Å; T1337-V1370 PolarHBondContact OG1-O 3.19Å |
| 1371 | L | 85.8 | Confident | 71.3 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 154.2 | 179.7 | -58.9 | 178.8 | 0 | 0 | 0 | 112.5 | L1232 I1233 Q1235 I1369 S1375 F1377 | L1232-L1371 HydrophobicContact CB-CD1 4.15Å; I1233-L1371 PolarHBondContact O-N 3.14Å; Q1235-L1371 WeakPolarHBondContact CB-O 3.38Å; Q1235-L1371 PolarHBondContact N-O 3.04Å; I1369-L1371 HydrophobicContact CG2-CD2 3.84Å; I1369-L1371 HydrophobicContact CG2-CG 4.38Å; L1371-S1375 WeakPolarHBondContact CB-OG 3.14Å; L1371-F1377 HydrophobicContact CD1-CD1 4.28Å; L1371-F1377 HydrophobicContact CD1-CE1 3.95Å |
| 1372 | P | 82.3 | Confident | 68.7 | Low | 67 Ų | 67 | 55.6 Ų | 55.6 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | trans | -61.4 | 138.8 | 171.8 | -17.9 | 29.9 | 0 | 0 | 0 | 111.7 | V1336 E1374 S1375 | V1336-P1372 HydrophobicContact CG1-CG 3.91Å; V1336-P1372 HydrophobicContact CG2-CB 4.24Å; V1336-P1372 HydrophobicContact CG2-CG 4.13Å; P1372-E1374 PolarHBondContact O-N 3.23Å; P1372-S1375 PolarHBondContact O-N 3.13Å; P1372-S1375 PolarHBondContact O-OG 2.93Å | ||
| 1373 | R | 79.2 | Confident | 66.2 | Low | 155 Ų | 155 | 59.1 Ų | 59.1 | 59% | 0.585 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -16.5 | -175.2 | -162.3 | 174.6 | 179.4 | 171.5 | 5.8 | 116.5 | Q1235 G1236 I1237 | Q1235-R1373 WeakPolarHBondContact O-CB 3.48Å; Q1235-R1373 WeakPolarHBondContact O-CG 3.29Å; G1236-R1373 PolarHBondContact O-NH1 2.96Å; G1236-R1373 PolarHBondContact O-NH2 3.25Å; I1237-R1373 HydrophobicContact CD1-CG 4.48Å; I1237-R1373 HydrophobicContact CG1-CG 4.28Å |
| 1374 | E | 69.6 | Low | 64 | Low | 170 Ų | 170 | 60.2 Ų | 60.2 | 79% | 0.794 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -0.8 | 176.2 | -65.7 | -154.6 | 172.8 | 0 | 0 | 115.2 | P1372 K1376 | P1372-E1374 PolarHBondContact O-N 3.23Å; E1374-K1376 PolarHBondContact O-N 2.83Å |
| 1375 | S | 68.5 | Low | 61.5 | Low | 36 Ų | 36 | 60.6 Ų | 60.6 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | trans | -58.2 | 140.2 | 171.1 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | H1234 L1371 P1372 | H1234-S1375 PolarHBondContact CD2-OG 3.35Å; H1234-S1375 PolarHBondContact NE2-O 3.38Å; H1234-S1375 VanDerWaalsContact NE2-O 3.14Å; H1234-S1375 PolarHBondContact NE2-OG 3.27Å; L1371-S1375 WeakPolarHBondContact CB-OG 3.14Å; P1372-S1375 PolarHBondContact O-N 3.13Å; P1372-S1375 PolarHBondContact O-OG 2.93Å | ||
| 1376 | K | 59.2 | Low | 58.9 | Low | 171 Ų | 171 | 65.2 Ų | 65.2 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | trans | -88.4 | 147.9 | 152.6 | -71 | -169.5 | 171.8 | -165.7 | 0 | 107.1 | E1374 M1378 | E1374-K1376 PolarHBondContact O-N 2.83Å; K1376-M1378 PolarHBondContact O-N 3.49Å | ||
| 1377 | F | 53.2 | Low | 56.3 | Low | 93 Ų | 93 | 67.8 Ų | 67.8 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | trans | -63.1 | 83.8 | 159.6 | -62.8 | -51.4 | 0 | 0 | 0 | 109.6 | V1217 P1218 L1232 H1234 L1371 | V1217-F1377 HydrophobicContact CG1-CZ 4.47Å; P1218-F1377 VanDerWaalsContact CD-CZ 3.43Å; P1218-F1377 HydrophobicContact CG-CB 4.46Å; P1218-F1377 HydrophobicContact CG-CD1 3.61Å; P1218-F1377 HydrophobicContact CG-CD2 3.7Å; P1218-F1377 HydrophobicContact CG-CE1 3.59Å; P1218-F1377 HydrophobicContact CG-CE2 3.66Å; P1218-F1377 HydrophobicContact CG-CG 3.67Å; P1218-F1377 HydrophobicContact CG-CZ 3.6Å; L1232-F1377 HydrophobicContact CB-CE1 3.87Å; L1232-F1377 WeakPolarHBondContact O-CE1 3.49Å; L1232-F1377 VanDerWaalsContact O-CZ 3.22Å; L1232-F1377 WeakPolarHBondContact O-CZ 3.21Å; H1234-F1377 AromaticContact CE1-CE1 3.52Å; H1234-F1377 AromaticContact CE1-CE2 3.55Å; H1234-F1377 AromaticContact CE1-CZ 3.18Å; H1234-F1377 WeakPolarHBondContact CE1-CZ 3.32Å; H1234-F1377 AromaticContact ND1-CZ 3.65Å; L1371-F1377 HydrophobicContact CD1-CD1 4.28Å; L1371-F1377 HydrophobicContact CD1-CE1 3.95Å | ||
| 1378 | M | 37.6 | Very low | 53.7 | Low | 151 Ų | 151 | 69.4 Ų | 69.4 | 74% | 0.744 | 37% | 0.371 | S | S | * | . | trans | -76.2 | 148 | 153.7 | -59 | -161.9 | 70.8 | 0 | 0 | 107 | K1376 | K1376-M1378 PolarHBondContact O-N 3.49Š| ||
| 1379 | A | 33.4 | Very low | 51.1 | Low | 65 Ų | 65 | 70.3 Ų | 70.3 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -44.6 | 139.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1381 | A1379-S1381 PolarHBondContact O-N 3.28Š|
| 1380 | P | 31.1 | Very low | 48.7 | Very low | 53 Ų | 53 | 72 Ų | 72 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | trans | -46.8 | 125.7 | -158.3 | 15.4 | -31.2 | 0 | 0 | 0 | 111 | D1220 P1382 | D1220-P1380 VanDerWaalsContact OD1-CB 3.27Å; D1220-P1380 WeakPolarHBondContact OD1-CB 3.09Å; P1380-P1382 WeakPolarHBondContact O-CD 3.42Å; P1380-P1382 WeakPolarHBondContact O-CG 3.27Å | ||
| 1381 | S | 31 | Very low | 46.3 | Very low | 64 Ų | 64 | 73 Ų | 73 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | trans | -66.7 | 99.4 | 179.9 | -73.6 | 0 | 0 | 0 | 0 | 107.6 | A1379 L1383 | A1379-S1381 PolarHBondContact O-N 3.28Å; S1381-L1383 PolarHBondContact O-N 3.13Å; S1381-L1383 VanDerWaalsContact O-N 3.09Å | ||
| 1382 | P | 28.1 | Very low | 44 | Very low | 21 Ų | 21 | 71.9 Ų | 71.9 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | trans | -83.5 | 109 | -153.3 | 2.7 | 13.9 | 0 | 0 | 0 | 106.9 | P1380 V1699 R1700 V1701 | P1380-P1382 WeakPolarHBondContact O-CD 3.42Å; P1380-P1382 WeakPolarHBondContact O-CG 3.27Å; P1382-V1699 WeakPolarHBondContact CB-O 3.48Å; P1382-V1699 WeakPolarHBondContact CG-O 3.44Å; P1382-R1700 HydrophobicContact CB-CG 4.27Å; P1382-R1700 WeakPolarHBondContact O-CA 3.33Å; P1382-R1700 WeakPolarHBondContact O-CB 3.45Å; P1382-R1700 VanDerWaalsContact O-CD 3.22Å; P1382-R1700 WeakPolarHBondContact O-CD 3.46Å; P1382-R1700 WeakPolarHBondContact O-CG 3.46Å; P1382-V1701 VanDerWaalsContact CD-N 3.31Å; P1382-V1701 WeakPolarHBondContact CD-O 3.37Å; P1382-V1701 HydrophobicContact CG-CB 4.24Å; P1382-V1701 HydrophobicContact CG-CG2 4.24Å | ||
| 1383 | L | 34 | Very low | 41.8 | Very low | 82 Ų | 82 | 73.6 Ų | 73.6 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | trans | -142.8 | 6.1 | -174 | -104.1 | 157.9 | 0 | 0 | 0 | 113 | S1381 R1700 | S1381-L1383 PolarHBondContact O-N 3.13Å; S1381-L1383 VanDerWaalsContact O-N 3.09Å; L1383-R1700 PolarHBondContact O-NH1 2.83Å | ||
| 1384 | L | 37.2 | Very low | 39.7 | Very low | 36 Ų | 36 | 69.5 Ų | 69.5 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -123.1 | 2.6 | -159.8 | -69.1 | 157.7 | 0 | 0 | 0 | 116 | I1369 | I1369-L1384 HydrophobicContact CD1-CD1 3.49Å; I1369-L1384 VanDerWaalsContact CD1-CD1 3.49Å |
| 1385 | T | 33.3 | Very low | 38.2 | Very low | 21 Ų | 21 | 62.7 Ų | 62.7 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -86 | 178.3 | 168.8 | 5.3 | 0 | 0 | 0 | 0 | 112.5 | L1222 E1698 R1700 | L1222-T1385 HydrophobicContact CD2-CG2 3.62Å; T1385-E1698 WeakPolarHBondContact CB-OE1 3.15Å; T1385-E1698 WeakPolarHBondContact CG2-OE1 3.31Å; T1385-E1698 WeakPolarHBondContact OG1-CG 3.32Å; T1385-E1698 PolarHBondContact OG1-OE1 2.9Å; T1385-R1700 PolarHBondContact O-NH1 2.86Å; T1385-R1700 PolarHBondContact O-NH2 2.94Å; T1385-R1700 PolarHBondContact OG1-NH2 3.42Å |
| 1386 | P | 30.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 65.8 Ų | 65.8 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -82.2 | -42.9 | 161.6 | -15.2 | 31.8 | 0 | 0 | 0 | 113.3 | ||
| 1387 | N | 33.5 | Very low | 35.3 | Very low | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | trans | -90.2 | 149.7 | -170.4 | -143 | -6.6 | 0 | 0 | 0 | 112 | D1697 E1698 R1700 | N1387-D1697 WeakPolarHBondContact CB-O 3.31Å; N1387-D1697 PolarHBondContact ND2-O 2.9Å; N1387-D1697 PolarHBondContact ND2-OD1 3.32Å; N1387-D1697 PolarHBondContact OD1-O 2.82Å; N1387-D1697 VanDerWaalsContact OD1-O 3.11Å; N1387-E1698 WeakPolarHBondContact O-CB 3.22Å; N1387-R1700 PolarHBondContact O-NH2 2.88Å | ||
| 1388 | P | 33.2 | Very low | 34.6 | Very low | 43 Ų | 43 | 63.3 Ų | 63.3 | 28% | 0.279 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -130.3 | 33.3 | -175.3 | 46.1 | -31.4 | 0 | 0 | 0 | 113.1 | E1698 F1732 | P1388-E1698 CarbonylContact C-O 3.57Å; P1388-E1698 WeakPolarHBondContact CA-O 3.22Å; P1388-F1732 VanDerWaalsContact O-CZ 3.3Å; P1388-F1732 WeakPolarHBondContact O-CZ 3.42Å |
| 1389 | T | 36.3 | Very low | 34.6 | Very low | 20 Ų | 20 | 60.5 Ų | 60.5 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -96.2 | 0 | 166 | 27.1 | 0 | 0 | 0 | 0 | 125.2 | C1696 D1697 E1698 V1699 N1749 | T1389-C1696 VanDerWaalsContact C-CA 3.46Å; T1389-C1696 CarbonylContact C-O 3.58Å; T1389-C1696 VanDerWaalsContact CB-CA 3.47Å; T1389-C1696 CarbonylContact O-C 3.59Å; T1389-C1696 WeakPolarHBondContact O-CA 3.32Å; T1389-C1696 WeakPolarHBondContact O-CB 3.37Å; T1389-C1696 PolarHBondContact O-SG 2.8Å; T1389-D1697 VanDerWaalsContact CA-CA 3.41Å; T1389-D1697 WeakPolarHBondContact CA-O 3.48Å; T1389-D1697 VanDerWaalsContact CB-C 3.49Å; T1389-D1697 WeakPolarHBondContact CB-OD2 3.37Å; T1389-D1697 PolarHBondContact N-O 2.85Å; T1389-D1697 PolarHBondContact OG1-N 2.89Å; T1389-D1697 PolarHBondContact OG1-O 3.05Å; T1389-D1697 PolarHBondContact OG1-OD2 2.88Å; T1389-E1698 CarbonylContact C-O 3.59Å; T1389-E1698 WeakPolarHBondContact CA-O 3.12Å; T1389-E1698 VanDerWaalsContact N-C 3.35Å; T1389-E1698 PolarHBondContact N-O 2.96Å; T1389-E1698 CarbonylContact O-C 3.53Å; T1389-V1699 WeakPolarHBondContact O-CG2 3.43Å; T1389-N1749 VanDerWaalsContact CG2-ND2 3.28Å; T1389-N1749 WeakPolarHBondContact CG2-ND2 3.32Å |
| 1390 | R | 37 | Very low | 34.4 | Very low | 55 Ų | 55 | 68.1 Ų | 68.1 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | S | Bend | 0 | -126.7 | 0 | -90.4 | -176.8 | -129.8 | 164.5 | -4.4 | 119.6 | E1224 I1392 L1393 C1696 D1697 E1698 | E1224-R1390 IonicContact OE1-CZ 2.73Å; E1224-R1390 VanDerWaalsContact OE1-CZ 3.32Å; E1224-R1390 IonicContact OE1-NH1 2.72Å; E1224-R1390 PolarHBondContact OE1-NH1 3.34Å; E1224-R1390 IonicContact OE1-NH2 3.3Å; E1224-R1390 PolarHBondContact OE1-NH2 3.27Å; R1390-I1392 CarbonylContact O-C 3.51Å; R1390-I1392 WeakPolarHBondContact O-CA 3.44Å; R1390-I1392 PolarHBondContact O-N 3.43Å; R1390-L1393 PolarHBondContact O-N 2.9Å; R1390-C1696 WeakPolarHBondContact CA-O 3.45Å; R1390-C1696 PolarHBondContact N-O 3.44Å; R1390-D1697 VanDerWaalsContact CA-C 3.45Å; R1390-D1697 HydrophobicContact CB-CB 3.83Å; R1390-D1697 HydrophobicContact CG-CB 3.54Å; R1390-E1698 VanDerWaalsContact CA-N 3.26Å; R1390-E1698 HydrophobicContact CB-CB 4.24Å; R1390-E1698 WeakPolarHBondContact CB-OE2 3.38Å | |
| 1391 | A | 37.3 | Very low | 34.4 | Very low | 20 Ų | 20 | 68.1 Ų | 68.1 | 17% | 0.165 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 8.9 | -148.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | L1393 R1394 S1395 E1698 V1699 | A1391-L1393 VanDerWaalsContact C-N 3.28Å; A1391-R1394 HydrophobicContact CB-CB 3.95Å; A1391-R1394 PolarHBondContact O-N 3.09Å; A1391-S1395 VanDerWaalsContact O-CB 3.31Å; A1391-S1395 WeakPolarHBondContact O-CB 3.47Å; A1391-S1395 PolarHBondContact O-N 3.08Å; A1391-S1395 PolarHBondContact O-OG 3.22Å; A1391-E1698 HydrophobicContact CB-CG 3.63Å; A1391-E1698 WeakPolarHBondContact CB-OE2 3.49Å; A1391-E1698 VanDerWaalsContact N-CA 3.28Å; A1391-E1698 PolarHBondContact N-OE2 2.81Å; A1391-V1699 VanDerWaalsContact N-N 3.15Å |
| 1392 | I | 37.9 | Very low | 34.6 | Very low | 19 Ų | 19 | 67.7 Ų | 67.7 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 143.8 | -90.6 | -178.9 | 0 | 0 | 0 | 111.5 | R1390 R1394 S1395 L1396 V1699 V1701 Y1734 L1747 | R1390-I1392 CarbonylContact O-C 3.51Å; R1390-I1392 WeakPolarHBondContact O-CA 3.44Å; R1390-I1392 PolarHBondContact O-N 3.43Å; I1392-R1394 PolarHBondContact O-N 3.4Å; I1392-S1395 WeakPolarHBondContact CA-OG 3.2Å; I1392-S1395 PolarHBondContact O-N 2.79Å; I1392-S1395 PolarHBondContact O-OG 3.45Å; I1392-L1396 HydrophobicContact CG2-CD1 3.65Å; I1392-L1396 HydrophobicContact CG2-CG 4.3Å; I1392-L1396 WeakPolarHBondContact O-CB 3.28Å; I1392-L1396 VanDerWaalsContact O-CG 3.23Å; I1392-L1396 WeakPolarHBondContact O-CG 3.19Å; I1392-L1396 PolarHBondContact O-N 2.93Å; I1392-V1699 HydrophobicContact CB-CB 3.61Å; I1392-V1699 HydrophobicContact CB-CG1 4.41Å; I1392-V1699 HydrophobicContact CB-CG2 3.66Å; I1392-V1699 HydrophobicContact CD1-CB 3.61Å; I1392-V1699 HydrophobicContact CD1-CG1 3.41Å; I1392-V1699 VanDerWaalsContact CD1-CG1 3.41Å; I1392-V1699 HydrophobicContact CD1-CG2 4.13Å; I1392-V1699 HydrophobicContact CG1-CB 3.57Å; I1392-V1699 HydrophobicContact CG1-CG1 3.96Å; I1392-V1699 HydrophobicContact CG1-CG2 4.14Å; I1392-V1699 HydrophobicContact CG2-CG2 4.41Å; I1392-V1701 HydrophobicContact CD1-CG2 3.95Å; I1392-V1701 HydrophobicContact CG1-CG2 4.33Å; I1392-Y1734 HydrophobicContact CD1-CE1 4.05Å; I1392-L1747 HydrophobicContact CD1-CD2 4.09Å |
| 1393 | L | 36.5 | Very low | 34.6 | Very low | 103 Ų | 103 | 75.9 Ų | 75.9 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -38.5 | 172.4 | -66.7 | 177.6 | 0 | 0 | 0 | 111.5 | R1390 A1391 W1397 | R1390-L1393 PolarHBondContact O-N 2.9Å; A1391-L1393 VanDerWaalsContact C-N 3.28Å; L1393-W1397 WeakPolarHBondContact O-CB 3.5Å; L1393-W1397 PolarHBondContact O-N 2.9Å |
| 1394 | R | 34.9 | Very low | 34.4 | Very low | 68 Ų | 68 | 76.8 Ų | 76.8 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -80.1 | -34.2 | 177.9 | -70 | 156.6 | 158.6 | -175.9 | 2.3 | 112.9 | D1223 A1391 I1392 W1397 S1398 E1698 | D1223-R1394 VanDerWaalsContact CG-CD 3.41Å; D1223-R1394 VanDerWaalsContact CG-NE 3.26Å; D1223-R1394 VanDerWaalsContact CG-NH1 3.32Å; D1223-R1394 WeakPolarHBondContact OD1-CD 3.37Å; D1223-R1394 IonicContact OD1-CZ 3.45Å; D1223-R1394 IonicContact OD1-NE 3.49Å; D1223-R1394 PolarHBondContact OD1-NE 3.05Å; D1223-R1394 WeakPolarHBondContact OD2-CD 3.4Å; D1223-R1394 IonicContact OD2-CZ 3.26Å; D1223-R1394 IonicContact OD2-NE 2.77Å; D1223-R1394 PolarHBondContact OD2-NE 3.19Å; D1223-R1394 IonicContact OD2-NH1 3.38Å; D1223-R1394 PolarHBondContact OD2-NH1 2.95Å; A1391-R1394 HydrophobicContact CB-CB 3.95Å; A1391-R1394 PolarHBondContact O-N 3.09Å; I1392-R1394 PolarHBondContact O-N 3.4Å; R1394-W1397 PolarHBondContact O-N 2.93Å; R1394-S1398 VanDerWaalsContact O-CB 3.27Å; R1394-S1398 WeakPolarHBondContact O-CB 3.48Å; R1394-S1398 PolarHBondContact O-N 3.06Å; R1394-S1398 PolarHBondContact O-OG 3.07Å; R1394-E1698 IonicContact NH1-OE2 3.66Å |
| 1395 | S | 38.1 | Very low | 34 | Very low | 28 Ų | 28 | 80.6 Ų | 80.6 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72.3 | -31.7 | 172.4 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | A1391 I1392 S1398 I1399 | A1391-S1395 VanDerWaalsContact O-CB 3.31Å; A1391-S1395 WeakPolarHBondContact O-CB 3.47Å; A1391-S1395 PolarHBondContact O-N 3.08Å; A1391-S1395 PolarHBondContact O-OG 3.22Å; I1392-S1395 WeakPolarHBondContact CA-OG 3.2Å; I1392-S1395 PolarHBondContact O-N 2.79Å; I1392-S1395 PolarHBondContact O-OG 3.45Å; S1395-S1398 WeakPolarHBondContact CA-OG 3.11Å; S1395-S1398 PolarHBondContact O-OG 2.74Å; S1395-S1398 VanDerWaalsContact O-OG 3.13Å; S1395-I1399 WeakPolarHBondContact O-CB 3.31Å; S1395-I1399 WeakPolarHBondContact O-CD1 3.43Å; S1395-I1399 WeakPolarHBondContact O-CG1 3.22Å; S1395-I1399 PolarHBondContact O-N 3.14Å |
| 1396 | L | 33.8 | Very low | 33.8 | Very low | 100 Ų | 100 | 84 Ų | 84 | 52% | 0.524 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -74.1 | -40.2 | 171.5 | -71.1 | 170.6 | 0 | 0 | 0 | 111.4 | I1392 I1399 W1400 | I1392-L1396 HydrophobicContact CG2-CD1 3.65Å; I1392-L1396 HydrophobicContact CG2-CG 4.3Å; I1392-L1396 WeakPolarHBondContact O-CB 3.28Å; I1392-L1396 VanDerWaalsContact O-CG 3.23Å; I1392-L1396 WeakPolarHBondContact O-CG 3.19Å; I1392-L1396 PolarHBondContact O-N 2.93Å; L1396-I1399 PolarHBondContact O-N 3.45Å; L1396-W1400 PolarHBondContact O-N 2.72Å |
| 1397 | W | 33 | Very low | 34 | Very low | 151 Ų | 151 | 85.9 Ų | 85.9 | 57% | 0.572 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 170.3 | -107.7 | 48.3 | 0 | 0 | 0 | 112.3 | L1393 R1394 W1400 S1401 R1603 | L1393-W1397 WeakPolarHBondContact O-CB 3.5Å; L1393-W1397 PolarHBondContact O-N 2.9Å; R1394-W1397 PolarHBondContact O-N 2.93Å; W1397-W1400 CarbonylContact O-C 3.44Å; W1397-W1400 PolarHBondContact O-N 3.01Å; W1397-S1401 WeakPolarHBondContact O-CB 3.4Å; W1397-S1401 PolarHBondContact O-N 3.09Å; W1397-S1401 PolarHBondContact O-OG 3.03Å; W1397-R1603 HydrophobicContact CH2-CG 4.2Å |
| 1398 | S | 38.4 | Very low | 34.8 | Very low | 61 Ų | 61 | 87.8 Ų | 87.8 | 43% | 0.427 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 178.5 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | R1394 S1395 S1401 A1402 | R1394-S1398 VanDerWaalsContact O-CB 3.27Å; R1394-S1398 WeakPolarHBondContact O-CB 3.48Å; R1394-S1398 PolarHBondContact O-N 3.06Å; R1394-S1398 PolarHBondContact O-OG 3.07Å; S1395-S1398 WeakPolarHBondContact CA-OG 3.11Å; S1395-S1398 PolarHBondContact O-OG 2.74Å; S1395-S1398 VanDerWaalsContact O-OG 3.13Å; S1398-S1401 WeakPolarHBondContact CA-OG 3.45Å; S1398-S1401 PolarHBondContact O-N 3.26Å; S1398-S1401 PolarHBondContact O-OG 3.3Å; S1398-A1402 WeakPolarHBondContact O-CA 3.13Å; S1398-A1402 WeakPolarHBondContact O-CB 3.34Å; S1398-A1402 PolarHBondContact O-N 3.05Å |
| 1399 | I | 37.2 | Very low | 36.1 | Very low | 92 Ų | 92 | 89.2 Ų | 89.2 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 171.1 | -72.4 | 166.2 | 0 | 0 | 0 | 111.8 | S1395 L1396 | S1395-I1399 WeakPolarHBondContact O-CB 3.31Å; S1395-I1399 WeakPolarHBondContact O-CD1 3.43Å; S1395-I1399 WeakPolarHBondContact O-CG1 3.22Å; S1395-I1399 PolarHBondContact O-N 3.14Å; L1396-I1399 PolarHBondContact O-N 3.45Å |
| 1400 | W | 29.3 | Very low | 38.1 | Very low | 225 Ų | 225 | 90.3 Ų | 90.3 | 85% | 0.852 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -78.7 | -23.1 | 175.3 | -107.9 | 34.6 | 0 | 0 | 0 | 114.4 | L1396 W1397 | L1396-W1400 PolarHBondContact O-N 2.72Å; W1397-W1400 CarbonylContact O-C 3.44Å; W1397-W1400 PolarHBondContact O-N 3.01Å |
| 1401 | S | 32.2 | Very low | 40.1 | Very low | 53 Ų | 53 | 88.9 Ų | 88.9 | 37% | 0.371 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -92.2 | -19.7 | 173.7 | 68 | 0 | 0 | 0 | 0 | 114 | W1397 S1398 F1403 S1404 K1405 | W1397-S1401 WeakPolarHBondContact O-CB 3.4Å; W1397-S1401 PolarHBondContact O-N 3.09Å; W1397-S1401 PolarHBondContact O-OG 3.03Å; S1398-S1401 WeakPolarHBondContact CA-OG 3.45Å; S1398-S1401 PolarHBondContact O-N 3.26Å; S1398-S1401 PolarHBondContact O-OG 3.3Å; S1401-F1403 PolarHBondContact O-N 2.82Å; S1401-S1404 CarbonylContact O-C 3.56Å; S1401-S1404 PolarHBondContact O-N 2.99Å; S1401-K1405 PolarHBondContact O-N 3.39Å |
| 1402 | A | 34.4 | Very low | 42.2 | Very low | 56 Ų | 56 | 88.1 Ų | 88.1 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1398 S1404 | S1398-A1402 WeakPolarHBondContact O-CA 3.13Å; S1398-A1402 WeakPolarHBondContact O-CB 3.34Å; S1398-A1402 PolarHBondContact O-N 3.05Å; A1402-S1404 PolarHBondContact O-N 3.22Å |
| 1403 | F | 28.5 | Very low | 43.9 | Very low | 192 Ų | 192 | 88.7 Ų | 88.7 | 84% | 0.842 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.2 | 170.1 | -81.7 | -82.7 | 0 | 0 | 0 | 114.4 | S1401 | S1401-F1403 PolarHBondContact O-N 2.82Š|
| 1404 | S | 29.3 | Very low | 45.6 | Very low | 101 Ų | 101 | 84 Ų | 84 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.3 | 5.1 | 174.3 | 86 | 0 | 0 | 0 | 0 | 116.2 | S1401 A1402 | S1401-S1404 CarbonylContact O-C 3.56Å; S1401-S1404 PolarHBondContact O-N 2.99Å; A1402-S1404 PolarHBondContact O-N 3.22Å |
| 1405 | K | 28.9 | Very low | 47.2 | Very low | 116 Ų | 116 | 82 Ų | 82 | 50% | 0.504 | 43% | 0.43 | S | S | . | . | trans | -155.2 | 100 | 175.4 | -90 | -167.3 | 160.2 | -132.3 | 0 | 110.1 | S1401 E1408 | S1401-K1405 PolarHBondContact O-N 3.39Å; K1405-E1408 WeakPolarHBondContact CD-OE2 3.31Å; K1405-E1408 IonicContact NZ-OE1 2.73Å; K1405-E1408 PolarHBondContact NZ-OE1 2.85Å; K1405-E1408 IonicContact NZ-OE2 3.84Å; K1405-E1408 PolarHBondContact NZ-OE2 2.87Å | ||
| 1406 | S | 29.9 | Very low | 48.6 | Very low | 94 Ų | 94 | 81.4 Ų | 81.4 | 66% | 0.657 | 42% | 0.423 | S | S | * | . | trans | -113 | 3.2 | -168.8 | 54.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1407 | L | 35.5 | Very low | 50.3 | Low | 147 Ų | 147 | 77.7 Ų | 77.7 | 77% | 0.77 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -106 | -18.3 | -177.6 | -97.8 | 67 | 0 | 0 | 0 | 115.6 | T1409 | L1407-T1409 PolarHBondContact O-N 2.96Š|
| 1408 | E | 50.2 | Low | 52.2 | Low | 99 Ų | 99 | 70.8 Ų | 70.8 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -87.4 | 2.6 | -163.5 | -69.5 | 175.2 | 170.3 | 0 | 0 | 115.2 | R1221 K1405 | R1221-E1408 VanDerWaalsContact CZ-O 3.23Å; R1221-E1408 PolarHBondContact NH1-O 3.41Å; R1221-E1408 PolarHBondContact NH2-O 2.91Å; K1405-E1408 WeakPolarHBondContact CD-OE2 3.31Å; K1405-E1408 IonicContact NZ-OE1 2.73Å; K1405-E1408 PolarHBondContact NZ-OE1 2.85Å; K1405-E1408 IonicContact NZ-OE2 3.84Å; K1405-E1408 PolarHBondContact NZ-OE2 2.87Å |
| 1409 | T | 59 | Low | 53.7 | Low | 73 Ų | 73 | 69.8 Ų | 69.8 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -103.1 | -15.7 | -163.7 | 54.5 | 0 | 0 | 0 | 0 | 117 | L1407 | L1407-T1409 PolarHBondContact O-N 2.96Š|
| 1410 | N | 78.7 | Confident | 55.2 | Low | 44 Ų | 44 | 66.6 Ų | 66.6 | 24% | 0.235 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -114.2 | 15.6 | -162.4 | -49.8 | -22.7 | 0 | 0 | 0 | 114.4 | P1216 | P1216-N1410 HydrophobicContact CB-CB 3.69Å; P1216-N1410 HydrophobicContact CG-CB 3.9Å |
| 1411 | H | 80.3 | Confident | 56.7 | Low | 24 Ų | 24 | 57.4 Ų | 57.4 | 11% | 0.111 | 33% | 0.325 | C | S | . | . | trans | -130 | 164.6 | 177.5 | 56.9 | -113.5 | 0 | 0 | 0 | 112 | W1202 F1203 E1204 R1221 T1413 | W1202-H1411 HydrophobicContact CB-CB 4.43Å; F1203-H1411 CarbonylContact O-C 3.55Å; F1203-H1411 VanDerWaalsContact O-CA 3.26Å; F1203-H1411 WeakPolarHBondContact O-CA 3.34Å; F1203-H1411 WeakPolarHBondContact O-CB 3.38Å; E1204-H1411 HydrophobicContact CG-CB 3.64Å; R1221-H1411 PolarHBondContact NH2-O 2.82Å; H1411-T1413 PolarHBondContact CD2-OG1 3.09Å | ||
| 1412 | V | 79.4 | Confident | 57.8 | Low | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.9 | 168 | 168.4 | 0 | 0 | 0 | 0 | 108.5 | F1203 V1219 C1227 F1231 | F1203-V1412 HydrophobicContact CB-CB 4.44Å; F1203-V1412 PolarHBondContact N-O 3.14Å; F1203-V1412 PolarHBondContact O-N 3.04Å; V1219-V1412 HydrophobicContact CG1-CG2 3.78Å; V1219-V1412 HydrophobicContact CG2-CG2 4.46Å; C1227-V1412 VanDerWaalsContact O-CG1 3.3Å; C1227-V1412 WeakPolarHBondContact O-CG1 3.35Å; F1231-V1412 HydrophobicContact CE1-CG2 4.45Å; F1231-V1412 HydrophobicContact CE2-CB 4.21Å; F1231-V1412 HydrophobicContact CE2-CG2 3.59Å; F1231-V1412 HydrophobicContact CZ-CB 3.97Å; F1231-V1412 HydrophobicContact CZ-CG2 3.55Å |
| 1413 | T | 75.2 | Confident | 58.6 | Low | 30 Ų | 30 | 61.9 Ų | 61.9 | 18% | 0.184 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.6 | -174 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | L1200 V1201 C1227 H1411 | L1200-T1413 HydrophobicContact CD1-CG2 3.55Å; L1200-T1413 HydrophobicContact CG-CG2 4.43Å; V1201-T1413 WeakPolarHBondContact O-CA 3.41Å; C1227-T1413 WeakPolarHBondContact CB-O 3.36Å; C1227-T1413 PolarHBondContact SG-O 3.29Å; H1411-T1413 PolarHBondContact CD2-OG1 3.09Å |
| 1414 | S | 70.6 | Confident | 59.2 | Low | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 177.1 | 170 | 75.1 | 0 | 0 | 0 | 0 | 111.5 | V1201 Y1416 D1457 | V1201-S1414 PolarHBondContact N-O 2.95Å; V1201-S1414 PolarHBondContact O-N 2.97Å; S1414-Y1416 WeakPolarHBondContact OG-CE2 3.11Å; S1414-D1457 WeakPolarHBondContact CB-OD1 3.35Å |
| 1415 | V | 69 | Low | 59.2 | Low | 28 Ų | 28 | 58.2 Ų | 58.2 | 17% | 0.17 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.6 | 177 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | D1198 I1199 L1200 I1460 | D1198-V1415 HydrophobicContact CB-CG1 4.35Å; I1199-V1415 CarbonylContact O-C 3.59Å; I1199-V1415 VanDerWaalsContact O-CA 3.3Å; I1199-V1415 WeakPolarHBondContact O-CA 3.43Å; I1199-V1415 WeakPolarHBondContact O-CG1 3.42Å; L1200-V1415 HydrophobicContact CD1-CG2 3.97Å; V1415-I1460 HydrophobicContact CB-CD1 3.67Å; V1415-I1460 HydrophobicContact CB-CG1 4.34Å; V1415-I1460 HydrophobicContact CG2-CD1 4.3Å; V1415-I1460 HydrophobicContact CG2-CG2 4.25Å; V1415-I1460 WeakPolarHBondContact O-CD1 3.24Å |
| 1416 | Y | 69.1 | Low | 59.2 | Low | 15 Ų | 15 | 61.9 Ų | 61.9 | 6% | 0.059 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.5 | 178.6 | -69.4 | -101.9 | 0 | 0 | 0 | 109.3 | I1199 V1201 F1203 M1362 T1363 K1364 S1414 P1454 | I1199-Y1416 PolarHBondContact N-O 2.95Å; I1199-Y1416 PolarHBondContact O-N 2.93Å; V1201-Y1416 HydrophobicContact CB-CD2 3.91Å; V1201-Y1416 HydrophobicContact CB-CE2 3.88Å; V1201-Y1416 HydrophobicContact CG1-CE2 4.34Å; V1201-Y1416 HydrophobicContact CG2-CD2 3.44Å; V1201-Y1416 VanDerWaalsContact CG2-CD2 3.44Å; V1201-Y1416 HydrophobicContact CG2-CE2 3.87Å; V1201-Y1416 HydrophobicContact CG2-CG 4.42Å; F1203-Y1416 AromaticContact CE2-CE2 3.95Å; F1203-Y1416 HydrophobicContact CE2-CE2 3.95Å; F1203-Y1416 AromaticContact CZ-CE2 3.86Å; F1203-Y1416 HydrophobicContact CZ-CE2 3.86Å; F1203-Y1416 AromaticContact CZ-CZ 3.98Å; F1203-Y1416 WeakPolarHBondContact CZ-OH 3.13Å; M1362-Y1416 HydrophobicContact CB-CD1 4.47Å; M1362-Y1416 HydrophobicContact CB-CE1 4.43Å; M1362-Y1416 HydrophobicContact CG-CD1 3.57Å; M1362-Y1416 HydrophobicContact CG-CD2 4.22Å; M1362-Y1416 HydrophobicContact CG-CE1 3.38Å; M1362-Y1416 HydrophobicContact CG-CE2 3.97Å; M1362-Y1416 HydrophobicContact CG-CG 4.05Å; M1362-Y1416 HydrophobicContact SD-CD1 4.47Å; M1362-Y1416 HydrophobicContact SD-CD2 4.14Å; M1362-Y1416 HydrophobicContact SD-CE1 4.47Å; M1362-Y1416 HydrophobicContact SD-CE2 4.03Å; M1362-Y1416 HydrophobicContact SD-CG 4.38Å; T1363-Y1416 WeakPolarHBondContact O-CE1 3.26Å; T1363-Y1416 PolarHBondContact O-OH 2.97Å; K1364-Y1416 WeakPolarHBondContact CB-OH 3.46Å; S1414-Y1416 WeakPolarHBondContact OG-CE2 3.11Å; Y1416-P1454 HydrophobicContact CD1-CB 3.2Å; Y1416-P1454 HydrophobicContact CD1-CG 3.63Å; Y1416-P1454 HydrophobicContact CE1-CB 3.73Å; Y1416-P1454 HydrophobicContact CE1-CG 3.7Å; Y1416-P1454 HydrophobicContact CG-CB 4.09Å |
| 1417 | D | 69.6 | Low | 59.1 | Low | 22 Ų | 22 | 64 Ų | 64 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.1 | 165.7 | 175.1 | 22.5 | 0 | 0 | 0 | 108.8 | Q1419 W1452 | D1417-Q1419 WeakPolarHBondContact OD2-CG 3.1Å; D1417-Q1419 PolarHBondContact OD2-NE2 3.37Å; D1417-W1452 WeakPolarHBondContact OD2-CZ3 3.29Å |
| 1418 | L | 72.1 | Confident | 58.7 | Low | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117 | 171.3 | 163.7 | 61.5 | 0 | 0 | 0 | 109.9 | R1196 Y1197 I1199 C1268 F1270 V1353 V1360 L1420 | R1196-L1418 CarbonylContact C-O 3.6Å; R1196-L1418 VanDerWaalsContact CA-O 3.26Å; R1196-L1418 WeakPolarHBondContact CA-O 3.45Å; Y1197-L1418 HydrophobicContact CD2-CD2 4.27Å; Y1197-L1418 HydrophobicContact CD2-CG 4.44Å; Y1197-L1418 PolarHBondContact N-O 3.17Å; Y1197-L1418 PolarHBondContact O-N 3.29Å; I1199-L1418 HydrophobicContact CD1-CB 3.62Å; I1199-L1418 HydrophobicContact CD1-CD2 4.03Å; I1199-L1418 HydrophobicContact CD1-CG 4.43Å; I1199-L1418 HydrophobicContact CG1-CB 4.18Å; C1268-L1418 WeakPolarHBondContact SG-CD2 3.41Å; F1270-L1418 HydrophobicContact CE1-CD2 4.47Å; F1270-L1418 HydrophobicContact CZ-CD2 4.13Å; V1353-L1418 HydrophobicContact CG1-CD2 4.43Å; V1360-L1418 HydrophobicContact CB-CD1 4.23Å; V1360-L1418 HydrophobicContact CG1-CD1 3.68Å; V1360-L1418 HydrophobicContact CG2-CD1 3.49Å; V1360-L1418 VanDerWaalsContact CG2-CD1 3.49Å; L1418-L1420 HydrophobicContact CD1-CD2 3.58Å; L1418-L1420 HydrophobicContact CD1-CG 4.45Å; L1418-L1420 HydrophobicContact CD2-CD2 4.35Å; L1418-L1420 HydrophobicContact CG-CD2 3.98Å; L1418-L1420 HydrophobicContact CG-CG 4.37Å |
| 1419 | Q | 70.3 | Confident | 57.6 | Low | 40 Ų | 40 | 63.6 Ų | 63.6 | 19% | 0.187 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.7 | 177.8 | -53.6 | -155.8 | -26.8 | 0 | 0 | 111.7 | I1193 R1196 D1417 W1452 | I1193-Q1419 HydrophobicContact CG2-CB 4.24Å; R1196-Q1419 HydrophobicContact CG-CG 4.23Å; D1417-Q1419 WeakPolarHBondContact OD2-CG 3.1Å; D1417-Q1419 PolarHBondContact OD2-NE2 3.37Å; Q1419-W1452 VanDerWaalsContact CD-CG 3.43Å; Q1419-W1452 HydrophobicContact CG-CB 4.34Å; Q1419-W1452 VanDerWaalsContact NE2-CE2 3.26Å; Q1419-W1452 VanDerWaalsContact NE2-CG 3.3Å; Q1419-W1452 VanDerWaalsContact OE1-CD1 3.23Å |
| 1420 | L | 67.3 | Low | 56.1 | Low | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.7 | 176.5 | -54 | -172.2 | 0 | 0 | 0 | 109.4 | V1194 Q1195 Y1197 C1356 L1418 | V1194-L1420 PolarHBondContact N-O 3.48Å; Q1195-L1420 HydrophobicContact CB-CB 4.31Å; Q1195-L1420 PolarHBondContact N-O 2.85Å; Q1195-L1420 PolarHBondContact O-N 3.31Å; Y1197-L1420 HydrophobicContact CD2-CD1 4.49Å; Y1197-L1420 HydrophobicContact CE2-CD1 3.99Å; C1356-L1420 WeakPolarHBondContact SG-CD2 2.85Å; L1418-L1420 HydrophobicContact CD1-CD2 3.58Å; L1418-L1420 HydrophobicContact CD1-CG 4.45Å; L1418-L1420 HydrophobicContact CD2-CD2 4.35Å; L1418-L1420 HydrophobicContact CG-CD2 3.98Å; L1418-L1420 HydrophobicContact CG-CG 4.37Å |
| 1421 | G | 61.2 | Low | 53.8 | Low | 32 Ų | 32 | 71.5 Ų | 71.5 | 33% | 0.33 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 138.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1192 T1423 | E1192-G1421 CarbonylContact O-C 3.59Å; E1192-G1421 WeakPolarHBondContact O-CA 3.41Å; G1421-T1423 PolarHBondContact O-N 2.87Å |
| 1422 | H | 56.1 | Low | 51.2 | Low | 114 Ų | 114 | 75.6 Ų | 75.6 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.9 | 179.6 | -92.8 | -27.5 | 0 | 0 | 0 | 111.4 | S1191 E1192 V1194 S1424 | S1191-H1422 WeakPolarHBondContact CB-O 3.46Å; E1192-H1422 PolarHBondContact O-N 3.03Å; V1194-H1422 HydrophobicContact CG2-CB 3.67Å; V1194-H1422 WeakPolarHBondContact CG2-CD2 3.34Å; V1194-H1422 VanDerWaalsContact CG2-N 3.27Å; H1422-S1424 PolarHBondContact O-N 2.88Å |
| 1423 | T | 49.6 | Very low | 48.7 | Very low | 90 Ų | 90 | 83.7 Ų | 83.7 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | trans | -70.3 | 92.9 | 169.1 | 56.9 | 0 | 0 | 0 | 0 | 109.7 | G1421 S1425 | G1421-T1423 PolarHBondContact O-N 2.87Å; T1423-S1425 PolarHBondContact O-N 3.23Å; T1423-S1425 VanDerWaalsContact O-N 3.12Å | ||
| 1424 | S | 41.3 | Very low | 46.4 | Very low | 105 Ų | 105 | 87.3 Ų | 87.3 | 73% | 0.734 | 47% | 0.473 | S | S | * | . | trans | -67.5 | 102.8 | -177.7 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | H1422 K1426 | H1422-S1424 PolarHBondContact O-N 2.88Å; S1424-K1426 PolarHBondContact O-N 3.18Å | ||
| 1425 | S | 30.2 | Very low | 44.4 | Very low | 110 Ų | 110 | 93.9 Ų | 93.9 | 77% | 0.769 | 51% | 0.507 | S | S | * | . | trans | -87.1 | 88.6 | -177.6 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | T1423 | T1423-S1425 PolarHBondContact O-N 3.23Å; T1423-S1425 VanDerWaalsContact O-N 3.12Å | ||
| 1426 | K | 27.9 | Very low | 42.5 | Very low | 193 Ų | 193 | 101 Ų | 101 | 84% | 0.839 | 54% | 0.54 | S | S | * | . | trans | -174.9 | 154.5 | 149.7 | -106.2 | 154.3 | -171.7 | 179.4 | 0 | 114 | S1424 | S1424-K1426 PolarHBondContact O-N 3.18Š| ||
| 1427 | N | 28.5 | Very low | 40.5 | Very low | 138 Ų | 138 | 106.3 Ų | 106.3 | 74% | 0.738 | 57% | 0.569 | S | S | * | * | trans | 64.8 | 85.3 | 161.1 | -59.5 | 12.3 | 0 | 0 | 0 | 118.4 | ||||
| 1428 | Q | 27.4 | Very low | 38.6 | Very low | 141 Ų | 141 | 110.3 Ų | 110.3 | 66% | 0.659 | 60% | 0.595 | S | S | * | * | 9.3 | 114.7 | 115.1 | -70.3 | 171.1 | -46.8 | 0 | 0 | 116.3 | |||||
| 1429 | N | 28 | Very low | 36.8 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | 162.4 | 147.3 | 112.4 | -88.5 | -6.9 | 0 | 0 | 0 | 115.7 | E500 | E500-N1429 WeakPolarHBondContact CG-OD1 3.19Å; E500-N1429 PolarHBondContact OE1-ND2 2.89Å; E500-N1429 PolarHBondContact OE1-OD1 2.86Å; E500-N1429 PolarHBondContact OE2-ND2 3.19Å; E500-N1429 PolarHBondContact OE2-OD1 3.49Å | |||
| 1430 | M | 27.5 | Very low | 34.9 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 67% | 0.67 | 66% | 0.658 | S | S | * | * | trans | 74.4 | 110.3 | 156.3 | -68 | -66 | 158.5 | 0 | 0 | 122 | ||||
| 1431 | N | 29 | Very low | 33.1 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | 100.8 | 115.9 | 133.1 | -67 | -31.4 | 0 | 0 | 0 | 121.5 | ||||
| 1432 | N | 25.4 | Very low | 31.4 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | trans | -100.4 | 137.6 | 173.9 | -84.5 | -72.3 | 0 | 0 | 0 | 112.1 | R496 E498 | R496-N1432 PolarHBondContact NH2-ND2 3.2Å; E498-N1432 PolarHBondContact OE1-ND2 2.61Å; E498-N1432 PolarHBondContact OE2-ND2 3.06Å | ||
| 1433 | K | 27.9 | Very low | 30.1 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | trans | -146.8 | 117.4 | 150.2 | -75.1 | -174.3 | 177.6 | 179.4 | 0 | 105 | ||||
| 1434 | S | 26.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | 61.5 | 105.1 | 50.2 | -166.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 1435 | I | 28.5 | Very low | 28.6 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | -179.8 | 130.6 | 126.3 | -92.7 | 155.6 | 0 | 0 | 0 | 110.8 | |||||
| 1436 | M | 29.1 | Very low | 28.6 | Very low | 176 Ų | 176 | 131 Ų | 131 | 87% | 0.867 | 68% | 0.684 | S | S | * | * | trans | 48.1 | 145.9 | 159 | -67 | -174.4 | -67.1 | 0 | 0 | 123 | ||||
| 1437 | D | 28.3 | Very low | 29 | Very low | 127 Ų | 127 | 126 Ų | 126 | 68% | 0.679 | 67% | 0.665 | S | S | * | * | trans | -108 | 134.6 | 176.2 | 168.2 | 17.5 | 0 | 0 | 0 | 108.8 | S1439 | D1437-S1439 WeakPolarHBondContact OD1-CB 3.41Å; D1437-S1439 PolarHBondContact OD1-N 3.19Å; D1437-S1439 PolarHBondContact OD1-OG 2.87Å | ||
| 1438 | T | 29.6 | Very low | 29.1 | Very low | 107 Ų | 107 | 123 Ų | 123 | 66% | 0.656 | 65% | 0.648 | S | S | * | * | trans | -134.7 | 27.7 | 178.5 | 55 | 0 | 0 | 0 | 0 | 112 | L1440 | T1438-L1440 PolarHBondContact O-N 2.81Š| ||
| 1439 | S | 32.3 | Very low | 29.5 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 22 | -169.9 | 55.8 | 0 | 0 | 0 | 0 | 117.3 | D1437 | D1437-S1439 WeakPolarHBondContact OD1-CB 3.41Å; D1437-S1439 PolarHBondContact OD1-N 3.19Å; D1437-S1439 PolarHBondContact OD1-OG 2.87Å |
| 1440 | L | 30.8 | Very low | 29.6 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 86% | 0.864 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 3 | -170.5 | -75.6 | 171.7 | 0 | 0 | 0 | 116.2 | T1438 | T1438-L1440 PolarHBondContact O-N 2.81Š|
| 1441 | T | 30.2 | Very low | 29.7 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 76% | 0.761 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -141.2 | 102.1 | 178.6 | 45.9 | 0 | 0 | 0 | 0 | 115 | ||
| 1442 | Y | 26.3 | Very low | 29.7 | Very low | 211 Ų | 211 | 118.7 Ų | 118.7 | 83% | 0.827 | 63% | 0.63 | S | S | * | * | trans | 64.3 | 175.3 | 160.5 | -123.5 | -105.1 | 0 | 0 | 0 | 118.6 | ||||
| 1443 | V | 28.7 | Very low | 30.2 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 68% | 0.679 | 63% | 0.632 | S | S | * | * | trans | -137.8 | 127.4 | -154.7 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1444 | R | 31.1 | Very low | 30.4 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 37% | 0.366 | 61% | 0.605 | S | S | . | * | trans | -165.6 | 125 | 140.4 | -141.8 | -172.7 | -152.7 | 105 | -1.3 | 117.7 | D832 E835 | D832-R1444 WeakPolarHBondContact OD1-CD 3.44Å; E835-R1444 PolarHBondContact OE1-N 2.73Å | ||
| 1445 | G | 28.1 | Very low | 31 | Very low | 48 Ų | 48 | 115 Ų | 115 | 50% | 0.495 | 59% | 0.591 | S | S | . | * | 100.6 | 29.6 | 129 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1446 | E | 28.7 | Very low | 31.6 | Very low | 100 Ų | 100 | 109 Ų | 109 | 47% | 0.467 | 57% | 0.565 | S | S | . | * | trans | 72.4 | -174.2 | 150.4 | -62.6 | 151.8 | 144.5 | 0 | 0 | 116.9 | Y857 | Y857-E1446 VanDerWaalsContact CB-OE2 3.32Å; Y857-E1446 WeakPolarHBondContact CB-OE2 3.06Å; Y857-E1446 VanDerWaalsContact CD1-CD 3.48Å; Y857-E1446 WeakPolarHBondContact CD1-OE1 3.38Å; Y857-E1446 WeakPolarHBondContact CD1-OE2 3.45Å; Y857-E1446 HydrophobicContact CD2-CB 3.97Å; Y857-E1446 HydrophobicContact CD2-CG 4.29Å; Y857-E1446 WeakPolarHBondContact CD2-OE2 3.13Å; Y857-E1446 HydrophobicContact CE1-CG 4.42Å; Y857-E1446 WeakPolarHBondContact CE1-OE1 3.45Å; Y857-E1446 HydrophobicContact CE2-CB 3.7Å; Y857-E1446 HydrophobicContact CE2-CG 3.98Å | ||
| 1447 | E | 36.5 | Very low | 32 | Very low | 90 Ų | 90 | 101.3 Ų | 101.3 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | trans | 24.4 | 109 | -177.9 | 61.7 | 179.6 | 169.6 | 0 | 0 | 122.6 | K855 | K855-E1447 IonicContact NZ-OE2 3.44Å; K855-E1447 PolarHBondContact NZ-OE2 3.16Å | ||
| 1448 | N | 32.2 | Very low | 32.5 | Very low | 73 Ų | 73 | 96.1 Ų | 96.1 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | -146.6 | 79.4 | 121.9 | -107.3 | -55.6 | 0 | 0 | 0 | 115.5 | A839 | A839-N1448 HydrophobicContact CB-CB 3.61Š| |||
| 1449 | I | 35.2 | Very low | 33 | Very low | 102 Ų | 102 | 93.6 Ų | 93.6 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | trans | 44.6 | 105.6 | 137.8 | -49.5 | 170.3 | 0 | 0 | 0 | 118.4 | ||||
| 1450 | K | 30.2 | Very low | 33.3 | Very low | 143 Ų | 143 | 89.9 Ų | 89.9 | 62% | 0.622 | 46% | 0.456 | S | S | * | . | S | Bend | -169.8 | 128.3 | 117.5 | -102.5 | 175.3 | -178.1 | -149 | 0 | 111.7 | S1190 | S1190-K1450 VanDerWaalsContact OG-CD 3.3Å; S1190-K1450 WeakPolarHBondContact OG-CD 3.19Å; S1190-K1450 WeakPolarHBondContact OG-CE 3.31Å; S1190-K1450 PolarHBondContact OG-NZ 3.32Å | |
| 1451 | G | 28.1 | Very low | 33.8 | Very low | 63 Ų | 63 | 83.4 Ų | 83.4 | 65% | 0.649 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 81.3 | 126.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1452 | W | 29.7 | Very low | 34.4 | Very low | 123 Ų | 123 | 79.6 Ų | 79.6 | 47% | 0.466 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 139.8 | -174.5 | -75.9 | 35.8 | 0 | 0 | 0 | 112.1 | D1417 Q1419 | D1417-W1452 WeakPolarHBondContact OD2-CZ3 3.29Å; Q1419-W1452 VanDerWaalsContact CD-CG 3.43Å; Q1419-W1452 HydrophobicContact CG-CB 4.34Å; Q1419-W1452 VanDerWaalsContact NE2-CE2 3.26Å; Q1419-W1452 VanDerWaalsContact NE2-CG 3.3Å; Q1419-W1452 VanDerWaalsContact OE1-CD1 3.23Å |
| 1453 | R | 36.3 | Very low | 35.1 | Very low | 167 Ų | 167 | 74.1 Ų | 74.1 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 151.6 | 159.4 | -65.8 | -176 | -176.4 | 177.9 | 3.3 | 108.7 | ||
| 1454 | P | 31.4 | Very low | 35.8 | Very low | 30 Ų | 30 | 74 Ų | 74 | 20% | 0.195 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 147.3 | -178.7 | 28.2 | -35.4 | 0 | 0 | 0 | 112.5 | Y1416 G1456 | Y1416-P1454 HydrophobicContact CD1-CB 3.2Å; Y1416-P1454 HydrophobicContact CD1-CG 3.63Å; Y1416-P1454 HydrophobicContact CE1-CB 3.73Å; Y1416-P1454 HydrophobicContact CE1-CG 3.7Å; Y1416-P1454 HydrophobicContact CG-CB 4.09Å; P1454-G1456 PolarHBondContact O-N 3.3Å |
| 1455 | R | 40.2 | Very low | 36.4 | Very low | 116 Ų | 116 | 75.6 Ų | 75.6 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | trans | -66.9 | 115 | 176.1 | -62.4 | -177 | -176.1 | 176.9 | 1.4 | 109.1 | I1460 | R1455-I1460 HydrophobicContact CB-CD1 4.17Å; R1455-I1460 HydrophobicContact CB-CG1 4.29Å; R1455-I1460 WeakPolarHBondContact O-CD1 3.2Å | ||
| 1456 | G | 39.8 | Very low | 37.2 | Very low | 19 Ų | 19 | 77.3 Ų | 77.3 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | trans | -64.5 | 166.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1454 S1458 L1459 | P1454-G1456 PolarHBondContact O-N 3.3Å; G1456-S1458 PolarHBondContact O-N 2.84Å; G1456-L1459 PolarHBondContact O-N 2.58Å | ||
| 1457 | D | 39.2 | Very low | 38 | Very low | 14 Ų | 14 | 77.2 Ų | 77.2 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -50.2 | -33.4 | -179.2 | -53.3 | -49.7 | 0 | 0 | 0 | 112.9 | C1227 K1364 S1414 I1460 I1461 | C1227-D1457 HydrophobicContact CB-CB 3.86Å; K1364-D1457 IonicContact NZ-OD1 2.71Å; K1364-D1457 PolarHBondContact NZ-OD1 2.89Å; K1364-D1457 IonicContact NZ-OD2 3.74Å; K1364-D1457 PolarHBondContact NZ-OD2 2.62Å; S1414-D1457 WeakPolarHBondContact CB-OD1 3.35Å; D1457-I1460 PolarHBondContact O-N 2.73Å; D1457-I1461 WeakPolarHBondContact O-CG1 3.44Å; D1457-I1461 PolarHBondContact O-N 2.75Å |
| 1458 | S | 38.5 | Very low | 38.7 | Very low | 17 Ų | 17 | 77.6 Ų | 77.6 | 12% | 0.119 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -46.8 | -67.2 | 175.9 | -15.5 | 0 | 0 | 0 | 0 | 111.7 | T1170 G1456 I1460 I1461 E1462 | T1170-S1458 VanDerWaalsContact CB-OG 3.23Å; T1170-S1458 WeakPolarHBondContact CB-OG 3.39Å; T1170-S1458 WeakPolarHBondContact OG1-CB 3.48Å; T1170-S1458 PolarHBondContact OG1-OG 3.28Å; G1456-S1458 PolarHBondContact O-N 2.84Å; S1458-I1460 VanDerWaalsContact C-N 3.27Å; S1458-I1460 PolarHBondContact O-N 3.17Å; S1458-I1461 PolarHBondContact O-N 3.3Å; S1458-E1462 WeakPolarHBondContact O-CB 3.38Å; S1458-E1462 WeakPolarHBondContact O-CG 3.33Å; S1458-E1462 PolarHBondContact O-N 2.71Å |
| 1459 | L | 40.3 | Very low | 39.8 | Very low | 55 Ų | 55 | 76.6 Ų | 76.6 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73.4 | -19.9 | -170.2 | -69.2 | 174.7 | 0 | 0 | 0 | 112.6 | P856 G1456 H1463 | P856-L1459 HydrophobicContact CG-CD2 3.92Å; G1456-L1459 PolarHBondContact O-N 2.58Å; L1459-H1463 WeakPolarHBondContact O-CB 3.26Å; L1459-H1463 PolarHBondContact O-N 3.23Å |
| 1460 | I | 37.7 | Very low | 41 | Very low | 19 Ų | 19 | 75.8 Ų | 75.8 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -79.2 | -43.6 | 174.2 | -64 | 146.3 | 0 | 0 | 0 | 110.1 | V1415 R1455 D1457 S1458 Q1464 | V1415-I1460 HydrophobicContact CB-CD1 3.67Å; V1415-I1460 HydrophobicContact CB-CG1 4.34Å; V1415-I1460 HydrophobicContact CG2-CD1 4.3Å; V1415-I1460 HydrophobicContact CG2-CG2 4.25Å; V1415-I1460 WeakPolarHBondContact O-CD1 3.24Å; R1455-I1460 HydrophobicContact CB-CD1 4.17Å; R1455-I1460 HydrophobicContact CB-CG1 4.29Å; R1455-I1460 WeakPolarHBondContact O-CD1 3.2Å; D1457-I1460 PolarHBondContact O-N 2.73Å; S1458-I1460 VanDerWaalsContact C-N 3.27Å; S1458-I1460 PolarHBondContact O-N 3.17Å; I1460-Q1464 HydrophobicContact CG2-CG 4.33Å; I1460-Q1464 WeakPolarHBondContact O-CB 3.17Å; I1460-Q1464 WeakPolarHBondContact O-CG 3.33Å; I1460-Q1464 PolarHBondContact O-N 2.88Å |
| 1461 | I | 40.9 | Very low | 42.5 | Very low | 29 Ų | 29 | 74.6 Ų | 74.6 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 172.8 | -71.6 | 171.2 | 0 | 0 | 0 | 110.1 | T1225 P1226 C1227 D1457 S1458 W1465 | T1225-I1461 HydrophobicContact CG2-CD1 3.92Å; P1226-I1461 HydrophobicContact CG-CD1 4.47Å; C1227-I1461 HydrophobicContact CB-CD1 3.65Å; C1227-I1461 HydrophobicContact CB-CG1 4.21Å; D1457-I1461 WeakPolarHBondContact O-CG1 3.44Å; D1457-I1461 PolarHBondContact O-N 2.75Å; S1458-I1461 PolarHBondContact O-N 3.3Å; I1461-W1465 WeakPolarHBondContact O-CA 3.26Å; I1461-W1465 WeakPolarHBondContact O-CB 3.41Å; I1461-W1465 PolarHBondContact O-N 3.02Å |
| 1462 | E | 42.4 | Very low | 44.1 | Very low | 44 Ų | 44 | 76.9 Ų | 76.9 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.4 | -49.7 | -178.7 | -70.9 | 172.5 | 140.5 | 0 | 0 | 110.8 | N858 S1458 W1465 E1466 | N858-E1462 VanDerWaalsContact ND2-CD 3.28Å; N858-E1462 PolarHBondContact ND2-OE1 3.15Å; N858-E1462 PolarHBondContact ND2-OE2 2.82Å; N858-E1462 VanDerWaalsContact ND2-OE2 3.12Å; S1458-E1462 WeakPolarHBondContact O-CB 3.38Å; S1458-E1462 WeakPolarHBondContact O-CG 3.33Å; S1458-E1462 PolarHBondContact O-N 2.71Å; E1462-W1465 PolarHBondContact O-N 2.99Å; E1462-E1466 VanDerWaalsContact O-CB 3.31Å; E1462-E1466 WeakPolarHBondContact O-CB 3.46Å; E1462-E1466 VanDerWaalsContact O-CG 3.29Å; E1462-E1466 WeakPolarHBondContact O-CG 3.43Å; E1462-E1466 PolarHBondContact O-N 3.49Å |
| 1463 | H | 41.8 | Very low | 45.9 | Very low | 95 Ų | 95 | 72.8 Ų | 72.8 | 44% | 0.44 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 179 | -167.9 | 59.3 | 0 | 0 | 0 | 113.2 | L1459 L1467 | L1459-H1463 WeakPolarHBondContact O-CB 3.26Å; L1459-H1463 PolarHBondContact O-N 3.23Å; H1463-L1467 VanDerWaalsContact O-CB 3.23Å; H1463-L1467 WeakPolarHBondContact O-CB 3.49Å; H1463-L1467 WeakPolarHBondContact O-CG 3.47Å; H1463-L1467 PolarHBondContact O-N 3.08Å |
| 1464 | Q | 43 | Very low | 47.4 | Very low | 111 Ų | 111 | 66.2 Ų | 66.2 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 173.4 | -73.4 | -178.1 | -13.2 | 0 | 0 | 111.6 | I1460 E1468 | I1460-Q1464 HydrophobicContact CG2-CG 4.33Å; I1460-Q1464 WeakPolarHBondContact O-CB 3.17Å; I1460-Q1464 WeakPolarHBondContact O-CG 3.33Å; I1460-Q1464 PolarHBondContact O-N 2.88Å; Q1464-E1468 WeakPolarHBondContact O-CB 3.36Å; Q1464-E1468 WeakPolarHBondContact O-CG 3.49Å; Q1464-E1468 PolarHBondContact O-N 2.89Å |
| 1465 | W | 43.8 | Very low | 49.3 | Very low | 130 Ų | 130 | 68.4 Ų | 68.4 | 49% | 0.492 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.1 | -35.6 | 177.2 | -166.1 | 84.2 | 0 | 0 | 0 | 111.5 | I1461 E1462 R1469 | I1461-W1465 WeakPolarHBondContact O-CA 3.26Å; I1461-W1465 WeakPolarHBondContact O-CB 3.41Å; I1461-W1465 PolarHBondContact O-N 3.02Å; E1462-W1465 PolarHBondContact O-N 2.99Å; W1465-R1469 WeakPolarHBondContact O-CA 3.44Å; W1465-R1469 WeakPolarHBondContact O-CB 3.17Å; W1465-R1469 PolarHBondContact O-N 2.83Å |
| 1466 | E | 45.6 | Very low | 50.9 | Low | 83 Ų | 83 | 67.1 Ų | 67.1 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.3 | -47.2 | 171 | -76.7 | -177.2 | 156.6 | 0 | 0 | 112.1 | E1462 R1469 F1470 | E1462-E1466 VanDerWaalsContact O-CB 3.31Å; E1462-E1466 WeakPolarHBondContact O-CB 3.46Å; E1462-E1466 VanDerWaalsContact O-CG 3.29Å; E1462-E1466 WeakPolarHBondContact O-CG 3.43Å; E1462-E1466 PolarHBondContact O-N 3.49Å; E1466-R1469 PolarHBondContact O-N 2.91Å; E1466-F1470 WeakPolarHBondContact O-CB 3.47Å; E1466-F1470 WeakPolarHBondContact O-CD2 3.33Å; E1466-F1470 PolarHBondContact O-N 3.19Å |
| 1467 | L | 44.7 | Very low | 52.6 | Low | 98 Ų | 98 | 66.6 Ų | 66.6 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.4 | -75.5 | 174.9 | 0 | 0 | 0 | 111 | H1463 R1469 H1471 | H1463-L1467 VanDerWaalsContact O-CB 3.23Å; H1463-L1467 WeakPolarHBondContact O-CB 3.49Å; H1463-L1467 WeakPolarHBondContact O-CG 3.47Å; H1463-L1467 PolarHBondContact O-N 3.08Å; L1467-R1469 VanDerWaalsContact C-N 3.31Å; L1467-R1469 PolarHBondContact O-N 3.13Å; L1467-H1471 WeakPolarHBondContact O-CB 3.35Å; L1467-H1471 PolarHBondContact O-N 2.9Å |
| 1468 | E | 50.9 | Low | 54.6 | Low | 99 Ų | 99 | 69.3 Ų | 69.3 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 173.6 | -85.5 | -152 | -146.2 | 0 | 0 | 111.7 | Q1464 H1471 R1472 | Q1464-E1468 WeakPolarHBondContact O-CB 3.36Å; Q1464-E1468 WeakPolarHBondContact O-CG 3.49Å; Q1464-E1468 PolarHBondContact O-N 2.89Å; E1468-H1471 PolarHBondContact O-N 3.19Å; E1468-R1472 WeakPolarHBondContact O-CA 3.46Å; E1468-R1472 WeakPolarHBondContact O-CB 3.3Å; E1468-R1472 VanDerWaalsContact O-CD 3.24Å; E1468-R1472 WeakPolarHBondContact O-CD 3.4Å; E1468-R1472 WeakPolarHBondContact O-CG 3.38Å; E1468-R1472 PolarHBondContact O-N 2.92Å; E1468-R1472 IonicContact OE2-CZ 2.85Å; E1468-R1472 IonicContact OE2-NE 3.51Å; E1468-R1472 PolarHBondContact OE2-NE 2.92Å; E1468-R1472 IonicContact OE2-NH2 2.75Å; E1468-R1472 PolarHBondContact OE2-NH2 2.84Å |
| 1469 | R | 56.7 | Low | 56.4 | Low | 52 Ų | 52 | 72.2 Ų | 72.2 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.2 | -46.8 | -179.2 | -177.4 | 169.7 | -178.4 | -145.6 | -6.5 | 111.3 | H910 S911 W1465 E1466 L1467 H1471 R1472 I1473 | H910-R1469 PolarHBondContact O-NH1 3.28Å; H910-R1469 PolarHBondContact O-NH2 3.29Å; S911-R1469 PolarHBondContact O-NH2 3.45Å; S911-R1469 WeakPolarHBondContact OG-CD 3.31Å; S911-R1469 PolarHBondContact OG-NE 2.97Å; S911-R1469 PolarHBondContact OG-NH1 2.82Å; S911-R1469 VanDerWaalsContact OG-NH1 3.15Å; W1465-R1469 WeakPolarHBondContact O-CA 3.44Å; W1465-R1469 WeakPolarHBondContact O-CB 3.17Å; W1465-R1469 PolarHBondContact O-N 2.83Å; E1466-R1469 PolarHBondContact O-N 2.91Å; L1467-R1469 VanDerWaalsContact C-N 3.31Å; L1467-R1469 PolarHBondContact O-N 3.13Å; R1469-H1471 VanDerWaalsContact C-N 3.33Å; R1469-H1471 PolarHBondContact O-N 3.43Å; R1469-R1472 PolarHBondContact O-N 2.86Å; R1469-I1473 HydrophobicContact CG-CD1 3.81Å; R1469-I1473 WeakPolarHBondContact O-CB 3.28Å; R1469-I1473 WeakPolarHBondContact O-CD1 3.35Å; R1469-I1473 WeakPolarHBondContact O-CG1 3.38Å; R1469-I1473 PolarHBondContact O-N 2.82Å |
| 1470 | F | 59.2 | Low | 58.3 | Low | 84 Ų | 84 | 74 Ų | 74 | 37% | 0.368 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 171 | -87.9 | -74.1 | 0 | 0 | 0 | 111.5 | E1466 I1473 S1474 | E1466-F1470 WeakPolarHBondContact O-CB 3.47Å; E1466-F1470 WeakPolarHBondContact O-CD2 3.33Å; E1466-F1470 PolarHBondContact O-N 3.19Å; F1470-I1473 PolarHBondContact O-N 2.72Å; F1470-S1474 WeakPolarHBondContact O-CB 3.26Å; F1470-S1474 PolarHBondContact O-N 2.94Å |
| 1471 | H | 62.4 | Low | 60.4 | Low | 119 Ų | 119 | 73.4 Ų | 73.4 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.9 | -45.3 | 176.3 | -171.9 | 86.4 | 0 | 0 | 0 | 112.3 | L1467 E1468 R1469 I1473 S1474 L1475 | L1467-H1471 WeakPolarHBondContact O-CB 3.35Å; L1467-H1471 PolarHBondContact O-N 2.9Å; E1468-H1471 PolarHBondContact O-N 3.19Å; R1469-H1471 VanDerWaalsContact C-N 3.33Å; R1469-H1471 PolarHBondContact O-N 3.43Å; H1471-I1473 PolarHBondContact O-N 2.85Å; H1471-S1474 WeakPolarHBondContact O-CB 3.5Å; H1471-S1474 PolarHBondContact O-N 3.12Å; H1471-L1475 WeakPolarHBondContact NE2-CD1 3.37Å; H1471-L1475 WeakPolarHBondContact O-CB 3.28Å; H1471-L1475 WeakPolarHBondContact O-CG 3.36Å; H1471-L1475 PolarHBondContact O-N 2.75Å |
| 1472 | R | 60.8 | Low | 62.3 | Low | 111 Ų | 111 | 74.8 Ų | 74.8 | 42% | 0.419 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 175 | -74 | 161.2 | -177.7 | -132.1 | 8.4 | 111 | E1468 R1469 L1475 V1476 | E1468-R1472 WeakPolarHBondContact O-CA 3.46Å; E1468-R1472 WeakPolarHBondContact O-CB 3.3Å; E1468-R1472 VanDerWaalsContact O-CD 3.24Å; E1468-R1472 WeakPolarHBondContact O-CD 3.4Å; E1468-R1472 WeakPolarHBondContact O-CG 3.38Å; E1468-R1472 PolarHBondContact O-N 2.92Å; E1468-R1472 IonicContact OE2-CZ 2.85Å; E1468-R1472 IonicContact OE2-NE 3.51Å; E1468-R1472 PolarHBondContact OE2-NE 2.92Å; E1468-R1472 IonicContact OE2-NH2 2.75Å; E1468-R1472 PolarHBondContact OE2-NH2 2.84Å; R1469-R1472 PolarHBondContact O-N 2.86Å; R1472-L1475 PolarHBondContact O-N 2.9Å; R1472-V1476 WeakPolarHBondContact O-CB 3.05Å; R1472-V1476 VanDerWaalsContact O-CG2 3.27Å; R1472-V1476 WeakPolarHBondContact O-CG2 3.13Å; R1472-V1476 PolarHBondContact O-N 2.8Å |
| 1473 | I | 67.8 | Low | 64.1 | Low | 36 Ų | 36 | 77.9 Ų | 77.9 | 19% | 0.185 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 177.9 | -62.7 | 161.6 | 0 | 0 | 0 | 111.1 | L907 R1469 F1470 H1471 V1476 E1477 | L907-I1473 HydrophobicContact CD1-CG2 3.48Å; L907-I1473 VanDerWaalsContact CD1-CG2 3.48Å; L907-I1473 HydrophobicContact CD2-CG2 4.49Å; R1469-I1473 HydrophobicContact CG-CD1 3.81Å; R1469-I1473 WeakPolarHBondContact O-CB 3.28Å; R1469-I1473 WeakPolarHBondContact O-CD1 3.35Å; R1469-I1473 WeakPolarHBondContact O-CG1 3.38Å; R1469-I1473 PolarHBondContact O-N 2.82Å; F1470-I1473 PolarHBondContact O-N 2.72Å; H1471-I1473 PolarHBondContact O-N 2.85Å; I1473-V1476 PolarHBondContact O-N 3.07Å; I1473-V1476 VanDerWaalsContact O-N 3.16Å; I1473-E1477 PolarHBondContact O-N 2.86Å |
| 1474 | S | 68.9 | Low | 66.1 | Low | 30 Ų | 30 | 77 Ų | 77 | 21% | 0.21 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58 | -46.8 | 172.1 | 179 | 0 | 0 | 0 | 0 | 111.5 | Y890 F1470 H1471 E1477 K1478 | Y890-S1474 PolarHBondContact OH-OG 2.78Å; F1470-S1474 WeakPolarHBondContact O-CB 3.26Å; F1470-S1474 PolarHBondContact O-N 2.94Å; H1471-S1474 WeakPolarHBondContact O-CB 3.5Å; H1471-S1474 PolarHBondContact O-N 3.12Å; S1474-E1477 PolarHBondContact O-N 2.87Å; S1474-K1478 VanDerWaalsContact O-CB 3.24Å; S1474-K1478 WeakPolarHBondContact O-CB 3.49Å; S1474-K1478 PolarHBondContact O-N 2.93Å |
| 1475 | L | 70 | Confident | 67.9 | Low | 75 Ų | 75 | 71.9 Ų | 71.9 | 39% | 0.393 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 171.6 | -73.6 | 177.2 | 0 | 0 | 0 | 112.3 | H1471 R1472 K1478 T1479 | H1471-L1475 WeakPolarHBondContact NE2-CD1 3.37Å; H1471-L1475 WeakPolarHBondContact O-CB 3.28Å; H1471-L1475 WeakPolarHBondContact O-CG 3.36Å; H1471-L1475 PolarHBondContact O-N 2.75Å; R1472-L1475 PolarHBondContact O-N 2.9Å; L1475-K1478 PolarHBondContact O-N 2.8Å; L1475-T1479 WeakPolarHBondContact O-CB 3.45Å; L1475-T1479 PolarHBondContact O-N 2.78Å; L1475-T1479 PolarHBondContact O-OG1 2.88Å |
| 1476 | V | 73.9 | Confident | 69.3 | Low | 89 Ų | 89 | 67.9 Ų | 67.9 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 178.4 | 164.8 | 0 | 0 | 0 | 0 | 111.7 | R1472 I1473 T1479 R1480 | R1472-V1476 WeakPolarHBondContact O-CB 3.05Å; R1472-V1476 VanDerWaalsContact O-CG2 3.27Å; R1472-V1476 WeakPolarHBondContact O-CG2 3.13Å; R1472-V1476 PolarHBondContact O-N 2.8Å; I1473-V1476 PolarHBondContact O-N 3.07Å; I1473-V1476 VanDerWaalsContact O-N 3.16Å; V1476-T1479 PolarHBondContact O-N 3.28Å; V1476-R1480 WeakPolarHBondContact O-CB 3.49Å; V1476-R1480 PolarHBondContact O-N 2.87Å |
| 1477 | E | 76.8 | Confident | 70.8 | Confident | 9 Ų | 9 | 70 Ų | 70 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 174.7 | -73.8 | -64.1 | 166.8 | 0 | 0 | 111.7 | T905 I1473 S1474 T1479 R1480 Q1481 | T905-E1477 VanDerWaalsContact CB-OE1 3.23Å; T905-E1477 WeakPolarHBondContact CB-OE1 3.04Å; T905-E1477 PolarHBondContact OG1-OE1 2.9Å; I1473-E1477 PolarHBondContact O-N 2.86Å; S1474-E1477 PolarHBondContact O-N 2.87Å; E1477-T1479 PolarHBondContact O-N 3.03Å; E1477-R1480 VanDerWaalsContact CD-NH1 3.28Å; E1477-R1480 PolarHBondContact O-N 2.92Å; E1477-R1480 IonicContact OE1-CZ 2.72Å; E1477-R1480 IonicContact OE1-NH1 3.98Å; E1477-R1480 PolarHBondContact OE1-NH1 3.48Å; E1477-R1480 WeakPolarHBondContact OE2-CD 3.47Å; E1477-R1480 IonicContact OE2-CZ 2.73Å; E1477-R1480 IonicContact OE2-NH1 3.89Å; E1477-R1480 PolarHBondContact OE2-NH1 2.66Å; E1477-Q1481 WeakPolarHBondContact O-CB 3.44Å; E1477-Q1481 VanDerWaalsContact O-CG 3.27Å; E1477-Q1481 WeakPolarHBondContact O-CG 3.46Å; E1477-Q1481 PolarHBondContact O-N 2.73Å; E1477-Q1481 PolarHBondContact OE2-NE2 2.88Å |
| 1478 | K | 81.5 | Confident | 72.4 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 173.9 | -165.6 | 166.2 | -176.8 | 165.9 | 0 | 111.2 | Y890 N1132 S1474 L1475 W1482 | Y890-K1478 HydrophobicContact CD1-CD 4.24Å; Y890-K1478 HydrophobicContact CD1-CG 4.14Å; Y890-K1478 HydrophobicContact CD2-CB 3.97Å; Y890-K1478 HydrophobicContact CD2-CG 4.16Å; Y890-K1478 HydrophobicContact CE1-CB 4.29Å; Y890-K1478 HydrophobicContact CE1-CD 3.7Å; Y890-K1478 HydrophobicContact CE1-CG 3.93Å; Y890-K1478 VanDerWaalsContact CE2-CA 3.49Å; Y890-K1478 HydrophobicContact CE2-CB 3.49Å; Y890-K1478 VanDerWaalsContact CE2-CB 3.49Å; Y890-K1478 HydrophobicContact CE2-CD 4.45Å; Y890-K1478 HydrophobicContact CE2-CG 3.96Å; Y890-K1478 HydrophobicContact CG-CG 4.24Å; N1132-K1478 PolarHBondContact O-NZ 2.82Å; S1474-K1478 VanDerWaalsContact O-CB 3.24Å; S1474-K1478 WeakPolarHBondContact O-CB 3.49Å; S1474-K1478 PolarHBondContact O-N 2.93Å; L1475-K1478 PolarHBondContact O-N 2.8Å; K1478-W1482 WeakPolarHBondContact O-CB 3.41Å; K1478-W1482 PolarHBondContact O-N 2.85Å |
| 1479 | T | 74.6 | Confident | 73.6 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 176.9 | -62.4 | 0 | 0 | 0 | 0 | 112 | L1475 V1476 E1477 W1482 L1483 | L1475-T1479 WeakPolarHBondContact O-CB 3.45Å; L1475-T1479 PolarHBondContact O-N 2.78Å; L1475-T1479 PolarHBondContact O-OG1 2.88Å; V1476-T1479 PolarHBondContact O-N 3.28Å; E1477-T1479 PolarHBondContact O-N 3.03Å; T1479-W1482 PolarHBondContact O-N 2.8Å; T1479-L1483 HydrophobicContact CG2-CD1 3.98Å; T1479-L1483 HydrophobicContact CG2-CG 4.31Å; T1479-L1483 WeakPolarHBondContact O-CB 3.47Å; T1479-L1483 VanDerWaalsContact O-CG 3.26Å; T1479-L1483 WeakPolarHBondContact O-CG 3.22Å; T1479-L1483 PolarHBondContact O-N 2.88Å |
| 1480 | R | 80.8 | Confident | 74.1 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 34% | 0.343 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 178 | 176.9 | -169.6 | -179.4 | -167 | 7.3 | 112 | Q903 T905 V1476 E1477 L1483 K1484 | Q903-R1480 PolarHBondContact O-NH1 2.87Å; Q903-R1480 PolarHBondContact O-NH2 3.26Å; Q903-R1480 VanDerWaalsContact O-NH2 3.09Å; T905-R1480 PolarHBondContact OG1-NH1 2.97Å; V1476-R1480 WeakPolarHBondContact O-CB 3.49Å; V1476-R1480 PolarHBondContact O-N 2.87Å; E1477-R1480 VanDerWaalsContact CD-NH1 3.28Å; E1477-R1480 PolarHBondContact O-N 2.92Å; E1477-R1480 IonicContact OE1-CZ 2.72Å; E1477-R1480 IonicContact OE1-NH1 3.98Å; E1477-R1480 PolarHBondContact OE1-NH1 3.48Å; E1477-R1480 WeakPolarHBondContact OE2-CD 3.47Å; E1477-R1480 IonicContact OE2-CZ 2.73Å; E1477-R1480 IonicContact OE2-NH1 3.89Å; E1477-R1480 PolarHBondContact OE2-NH1 2.66Å; R1480-L1483 PolarHBondContact O-N 3.1Å; R1480-K1484 PolarHBondContact O-N 2.86Å |
| 1481 | Q | 82.9 | Confident | 74.5 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.7 | -33.7 | -179.7 | -64.3 | 172.5 | 35.4 | 0 | 0 | 110.8 | L888 E1477 K1484 L1485 | L888-Q1481 PolarHBondContact O-NE2 2.84Å; E1477-Q1481 WeakPolarHBondContact O-CB 3.44Å; E1477-Q1481 VanDerWaalsContact O-CG 3.27Å; E1477-Q1481 WeakPolarHBondContact O-CG 3.46Å; E1477-Q1481 PolarHBondContact O-N 2.73Å; E1477-Q1481 PolarHBondContact OE2-NE2 2.88Å; Q1481-K1484 PolarHBondContact O-N 2.61Å; Q1481-L1485 WeakPolarHBondContact O-CB 3.48Å; Q1481-L1485 PolarHBondContact O-N 2.92Å |
| 1482 | W | 81 | Confident | 74.3 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 170.5 | -176.8 | -109.1 | 0 | 0 | 0 | 113.4 | K892 Y896 K1478 T1479 L1485 S1486 L1591 | K892-W1482 HydrophobicContact CD-CE3 3.81Å; K892-W1482 HydrophobicContact CD-CH2 4.34Å; K892-W1482 HydrophobicContact CD-CZ3 3.43Å; K892-W1482 VanDerWaalsContact CD-CZ3 3.43Å; K892-W1482 HydrophobicContact CG-CE3 4.47Å; K892-W1482 HydrophobicContact CG-CZ3 3.98Å; Y896-W1482 HydrophobicContact CE2-CH2 4.35Å; Y896-W1482 HydrophobicContact CE2-CZ3 4.13Å; K1478-W1482 WeakPolarHBondContact O-CB 3.41Å; K1478-W1482 PolarHBondContact O-N 2.85Å; T1479-W1482 PolarHBondContact O-N 2.8Å; W1482-L1485 HydrophobicContact CE3-CD2 3.93Å; W1482-L1485 HydrophobicContact CZ3-CD2 3.83Å; W1482-L1485 PolarHBondContact O-N 2.82Å; W1482-S1486 WeakPolarHBondContact O-CB 3.39Å; W1482-S1486 PolarHBondContact O-N 2.85Å; W1482-L1591 HydrophobicContact CZ2-CD1 3.96Å; W1482-L1591 HydrophobicContact CZ2-CD2 3.84Å; W1482-L1591 HydrophobicContact CZ2-CG 4.22Å |
| 1483 | L | 78.9 | Confident | 73.6 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 57% | 0.571 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.1 | -42.2 | 172.9 | -76.8 | 170.2 | 0 | 0 | 0 | 110.9 | T1479 R1480 S1486 E1487 | T1479-L1483 HydrophobicContact CG2-CD1 3.98Å; T1479-L1483 HydrophobicContact CG2-CG 4.31Å; T1479-L1483 WeakPolarHBondContact O-CB 3.47Å; T1479-L1483 VanDerWaalsContact O-CG 3.26Å; T1479-L1483 WeakPolarHBondContact O-CG 3.22Å; T1479-L1483 PolarHBondContact O-N 2.88Å; R1480-L1483 PolarHBondContact O-N 3.1Å; L1483-S1486 CarbonylContact O-C 3.48Å; L1483-S1486 WeakPolarHBondContact O-CB 3.32Å; L1483-S1486 PolarHBondContact O-N 2.64Å; L1483-E1487 PolarHBondContact O-N 2.9Å |
| 1484 | K | 83.3 | Confident | 72.5 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 174.5 | -168.5 | 168.7 | -169.6 | 176.3 | 0 | 112.2 | T901 R1480 Q1481 S1486 E1487 I1488 | T901-K1484 WeakPolarHBondContact O-CE 3.18Å; T901-K1484 PolarHBondContact O-NZ 3.3Å; R1480-K1484 PolarHBondContact O-N 2.86Å; Q1481-K1484 PolarHBondContact O-N 2.61Å; K1484-S1486 VanDerWaalsContact C-N 3.32Å; K1484-S1486 PolarHBondContact O-N 2.8Å; K1484-E1487 PolarHBondContact O-N 3.08Å; K1484-I1488 HydrophobicContact CG-CD1 4.16Å; K1484-I1488 WeakPolarHBondContact O-CB 3.37Å; K1484-I1488 VanDerWaalsContact O-CG1 3.29Å; K1484-I1488 WeakPolarHBondContact O-CG1 3.44Å; K1484-I1488 PolarHBondContact O-N 3.49Å |
| 1485 | L | 82.3 | Confident | 71.1 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 172.1 | -177.7 | 56.1 | 0 | 0 | 0 | 111.6 | K892 N893 Y896 M900 Q1481 W1482 I1488 L1489 | K892-L1485 HydrophobicContact CB-CD2 4.18Å; K892-L1485 HydrophobicContact CG-CD2 4.28Å; N893-L1485 HydrophobicContact CB-CD1 3.88Å; N893-L1485 HydrophobicContact CB-CD2 4.47Å; Y896-L1485 HydrophobicContact CD2-CD1 4.41Å; Y896-L1485 HydrophobicContact CD2-CD2 3.98Å; Y896-L1485 HydrophobicContact CD2-CG 4.48Å; Y896-L1485 HydrophobicContact CE2-CD2 4.05Å; M900-L1485 HydrophobicContact SD-CB 4.04Å; Q1481-L1485 WeakPolarHBondContact O-CB 3.48Å; Q1481-L1485 PolarHBondContact O-N 2.92Å; W1482-L1485 HydrophobicContact CE3-CD2 3.93Å; W1482-L1485 HydrophobicContact CZ3-CD2 3.83Å; W1482-L1485 PolarHBondContact O-N 2.82Å; L1485-I1488 PolarHBondContact O-N 2.92Å; L1485-L1489 HydrophobicContact CD1-CD1 4.12Å; L1485-L1489 HydrophobicContact CD1-CG 4.07Å; L1485-L1489 HydrophobicContact CG-CD1 3.97Å; L1485-L1489 HydrophobicContact CG-CG 4.37Å; L1485-L1489 VanDerWaalsContact O-CB 3.25Å; L1485-L1489 WeakPolarHBondContact O-CB 3.45Å; L1485-L1489 WeakPolarHBondContact O-CG 3.34Å; L1485-L1489 PolarHBondContact O-N 2.94Å |
| 1486 | S | 72.7 | Confident | 69.6 | Low | 47 Ų | 47 | 65.1 Ų | 65.1 | 33% | 0.329 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70 | -30.1 | 173.8 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | W1482 L1483 K1484 G1490 | W1482-S1486 WeakPolarHBondContact O-CB 3.39Å; W1482-S1486 PolarHBondContact O-N 2.85Å; L1483-S1486 CarbonylContact O-C 3.48Å; L1483-S1486 WeakPolarHBondContact O-CB 3.32Å; L1483-S1486 PolarHBondContact O-N 2.64Å; K1484-S1486 VanDerWaalsContact C-N 3.32Å; K1484-S1486 PolarHBondContact O-N 2.8Å; S1486-G1490 WeakPolarHBondContact O-CA 3.42Å; S1486-G1490 PolarHBondContact O-N 3.1Å |
| 1487 | E | 76.9 | Confident | 67.8 | Low | 127 Ų | 127 | 63.3 Ų | 63.3 | 59% | 0.593 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.9 | -43.3 | 171.5 | -177.7 | 178.1 | -151.9 | 0 | 0 | 110.9 | L1483 K1484 G1490 T1491 | L1483-E1487 PolarHBondContact O-N 2.9Å; K1484-E1487 PolarHBondContact O-N 3.08Å; E1487-G1490 PolarHBondContact O-N 3.21Å; E1487-T1491 WeakPolarHBondContact O-CB 3.4Å; E1487-T1491 WeakPolarHBondContact O-CG2 3.08Å; E1487-T1491 PolarHBondContact O-N 3.18Å; E1487-T1491 PolarHBondContact O-OG1 3.39Å |
| 1488 | I | 79.3 | Confident | 65.7 | Low | 31 Ų | 31 | 68.8 Ų | 68.8 | 16% | 0.159 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 174.7 | -70.1 | 166.7 | 0 | 0 | 0 | 110.7 | V898 M900 K1484 L1485 T1491 T1492 | V898-I1488 HydrophobicContact CB-CG2 4.36Å; V898-I1488 HydrophobicContact CG1-CG2 3.5Å; M900-I1488 HydrophobicContact CB-CD1 4.24Å; M900-I1488 HydrophobicContact CG-CD1 3.81Å; M900-I1488 HydrophobicContact SD-CD1 4.34Å; K1484-I1488 HydrophobicContact CG-CD1 4.16Å; K1484-I1488 WeakPolarHBondContact O-CB 3.37Å; K1484-I1488 VanDerWaalsContact O-CG1 3.29Å; K1484-I1488 WeakPolarHBondContact O-CG1 3.44Å; K1484-I1488 PolarHBondContact O-N 3.49Å; L1485-I1488 PolarHBondContact O-N 2.92Å; I1488-T1491 WeakPolarHBondContact CA-OG1 3.29Å; I1488-T1491 PolarHBondContact O-N 3.22Å; I1488-T1491 PolarHBondContact O-OG1 2.66Å; I1488-T1491 VanDerWaalsContact O-OG1 3.06Å; I1488-T1492 VanDerWaalsContact O-CB 3.29Å; I1488-T1492 WeakPolarHBondContact O-CB 3.22Å; I1488-T1492 PolarHBondContact O-N 2.95Å; I1488-T1492 PolarHBondContact O-OG1 2.77Å |
| 1489 | L | 74.8 | Confident | 63.4 | Low | 38 Ų | 38 | 70 Ų | 70 | 20% | 0.199 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 176.3 | -71.6 | 172.4 | 0 | 0 | 0 | 111.3 | Y896 V898 L1485 T1492 Q1493 | Y896-L1489 HydrophobicContact CD1-CD1 4.01Å; Y896-L1489 HydrophobicContact CD1-CD2 4.11Å; Y896-L1489 HydrophobicContact CD2-CD1 3.97Å; Y896-L1489 HydrophobicContact CE1-CD1 4.11Å; Y896-L1489 HydrophobicContact CE2-CD1 4.07Å; Y896-L1489 HydrophobicContact CG-CD1 3.94Å; Y896-L1489 HydrophobicContact CG-CD2 3.99Å; V898-L1489 HydrophobicContact CG2-CD2 4.17Å; L1485-L1489 HydrophobicContact CD1-CD1 4.12Å; L1485-L1489 HydrophobicContact CD1-CG 4.07Å; L1485-L1489 HydrophobicContact CG-CD1 3.97Å; L1485-L1489 HydrophobicContact CG-CG 4.37Å; L1485-L1489 VanDerWaalsContact O-CB 3.25Å; L1485-L1489 WeakPolarHBondContact O-CB 3.45Å; L1485-L1489 WeakPolarHBondContact O-CG 3.34Å; L1485-L1489 PolarHBondContact O-N 2.94Å; L1489-T1492 PolarHBondContact O-N 2.89Å; L1489-Q1493 WeakPolarHBondContact O-CB 3.35Å; L1489-Q1493 PolarHBondContact O-N 3.47Å |
| 1490 | G | 68.1 | Low | 61.4 | Low | 24 Ų | 24 | 75.4 Ų | 75.4 | 25% | 0.247 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.8 | -30.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | S1486 E1487 K1494 | S1486-G1490 WeakPolarHBondContact O-CA 3.42Å; S1486-G1490 PolarHBondContact O-N 3.1Å; E1487-G1490 PolarHBondContact O-N 3.21Å; G1490-K1494 WeakPolarHBondContact O-CB 3.35Å; G1490-K1494 VanDerWaalsContact O-CG 3.29Å; G1490-K1494 WeakPolarHBondContact O-CG 3.45Å; G1490-K1494 PolarHBondContact O-N 3.18Å |
| 1491 | T | 66.4 | Low | 58.8 | Low | 66 Ų | 66 | 77.1 Ų | 77.1 | 41% | 0.405 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -77.7 | -38.4 | 170.8 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | E1487 I1488 Q1493 K1494 I1495 | E1487-T1491 WeakPolarHBondContact O-CB 3.4Å; E1487-T1491 WeakPolarHBondContact O-CG2 3.08Å; E1487-T1491 PolarHBondContact O-N 3.18Å; E1487-T1491 PolarHBondContact O-OG1 3.39Å; I1488-T1491 WeakPolarHBondContact CA-OG1 3.29Å; I1488-T1491 PolarHBondContact O-N 3.22Å; I1488-T1491 PolarHBondContact O-OG1 2.66Å; I1488-T1491 VanDerWaalsContact O-OG1 3.06Å; T1491-Q1493 VanDerWaalsContact C-N 3.32Å; T1491-Q1493 PolarHBondContact O-N 2.94Å; T1491-K1494 CarbonylContact O-C 3.46Å; T1491-K1494 PolarHBondContact O-N 3.24Å; T1491-I1495 WeakPolarHBondContact O-CD1 3.49Å; T1491-I1495 VanDerWaalsContact O-CG1 3.26Å; T1491-I1495 WeakPolarHBondContact O-CG1 3.3Å; T1491-I1495 PolarHBondContact O-N 3.49Å |
| 1492 | T | 57.8 | Low | 56.1 | Low | 50 Ų | 50 | 88 Ų | 88 | 31% | 0.307 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 169.2 | -55.4 | 0 | 0 | 0 | 0 | 111 | I1488 L1489 I1495 I1496 | I1488-T1492 VanDerWaalsContact O-CB 3.29Å; I1488-T1492 WeakPolarHBondContact O-CB 3.22Å; I1488-T1492 PolarHBondContact O-N 2.95Å; I1488-T1492 PolarHBondContact O-OG1 2.77Å; L1489-T1492 PolarHBondContact O-N 2.89Å; T1492-I1495 PolarHBondContact O-N 3.18Å; T1492-I1496 HydrophobicContact CG2-CD1 3.93Å; T1492-I1496 WeakPolarHBondContact O-CB 3.29Å; T1492-I1496 VanDerWaalsContact O-CG1 3.29Å; T1492-I1496 WeakPolarHBondContact O-CG1 3.36Å; T1492-I1496 PolarHBondContact O-N 2.84Å |
| 1493 | Q | 47.8 | Very low | 53.6 | Low | 54 Ų | 54 | 90.1 Ų | 90.1 | 25% | 0.252 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.1 | -34.9 | 174.6 | -164.5 | 176.5 | 23.9 | 0 | 0 | 111.6 | L1489 T1491 T1497 | L1489-Q1493 WeakPolarHBondContact O-CB 3.35Å; L1489-Q1493 PolarHBondContact O-N 3.47Å; T1491-Q1493 VanDerWaalsContact C-N 3.32Å; T1491-Q1493 PolarHBondContact O-N 2.94Å; Q1493-T1497 WeakPolarHBondContact O-CB 3.5Å; Q1493-T1497 WeakPolarHBondContact O-CG2 3.32Å; Q1493-T1497 PolarHBondContact O-N 2.79Å; Q1493-T1497 PolarHBondContact O-OG1 2.86Å |
| 1494 | K | 43.4 | Very low | 51.1 | Low | 133 Ų | 133 | 91.9 Ų | 91.9 | 58% | 0.578 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.1 | -30.7 | 169.5 | -79.6 | 172.1 | 179 | 174.4 | 0 | 113.2 | G1490 T1491 T1497 N1498 | G1490-K1494 WeakPolarHBondContact O-CB 3.35Å; G1490-K1494 VanDerWaalsContact O-CG 3.29Å; G1490-K1494 WeakPolarHBondContact O-CG 3.45Å; G1490-K1494 PolarHBondContact O-N 3.18Å; T1491-K1494 CarbonylContact O-C 3.46Å; T1491-K1494 PolarHBondContact O-N 3.24Å; K1494-T1497 WeakPolarHBondContact CA-OG1 3.38Å; K1494-N1498 WeakPolarHBondContact O-CA 3.4Å; K1494-N1498 WeakPolarHBondContact O-CB 3.31Å; K1494-N1498 PolarHBondContact O-N 3.43Å; K1494-N1498 PolarHBondContact O-ND2 3.22Å; K1494-N1498 VanDerWaalsContact O-ND2 3.11Å |
| 1495 | I | 41.1 | Very low | 48.5 | Very low | 106 Ų | 106 | 93.4 Ų | 93.4 | 54% | 0.544 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -48.5 | 171.7 | -70.8 | 159.5 | 0 | 0 | 0 | 108.6 | T1491 T1492 T1497 C1499 | T1491-I1495 WeakPolarHBondContact O-CD1 3.49Å; T1491-I1495 VanDerWaalsContact O-CG1 3.26Å; T1491-I1495 WeakPolarHBondContact O-CG1 3.3Å; T1491-I1495 PolarHBondContact O-N 3.49Å; T1492-I1495 PolarHBondContact O-N 3.18Å; I1495-T1497 VanDerWaalsContact C-N 3.31Å; I1495-T1497 PolarHBondContact O-N 2.83Å; I1495-C1499 WeakPolarHBondContact O-CB 3.4Å; I1495-C1499 PolarHBondContact O-N 3.1Å; I1495-C1499 PolarHBondContact O-SG 3.04Å |
| 1496 | I | 37.2 | Very low | 45.8 | Very low | 99 Ų | 99 | 99.9 Ų | 99.9 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -30.1 | 176.9 | -67 | 168.3 | 0 | 0 | 0 | 112.5 | T1492 Y1500 | T1492-I1496 HydrophobicContact CG2-CD1 3.93Å; T1492-I1496 WeakPolarHBondContact O-CB 3.29Å; T1492-I1496 VanDerWaalsContact O-CG1 3.29Å; T1492-I1496 WeakPolarHBondContact O-CG1 3.36Å; T1492-I1496 PolarHBondContact O-N 2.84Å; I1496-Y1500 WeakPolarHBondContact O-CD2 3.42Å |
| 1497 | T | 37.2 | Very low | 43.8 | Very low | 52 Ų | 52 | 107.3 Ų | 107.3 | 32% | 0.319 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -93.1 | -28.6 | 177.7 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | Q1493 K1494 I1495 Y1500 N1501 | Q1493-T1497 WeakPolarHBondContact O-CB 3.5Å; Q1493-T1497 WeakPolarHBondContact O-CG2 3.32Å; Q1493-T1497 PolarHBondContact O-N 2.79Å; Q1493-T1497 PolarHBondContact O-OG1 2.86Å; K1494-T1497 WeakPolarHBondContact CA-OG1 3.38Å; I1495-T1497 VanDerWaalsContact C-N 3.31Å; I1495-T1497 PolarHBondContact O-N 2.83Å; T1497-Y1500 PolarHBondContact O-N 3.22Å; T1497-N1501 PolarHBondContact O-N 3.26Å; T1497-N1501 PolarHBondContact O-ND2 3.33Å |
| 1498 | N | 32.5 | Very low | 41.3 | Very low | 123 Ų | 123 | 105.7 Ų | 105.7 | 66% | 0.658 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -78.3 | -25.4 | 172.5 | -66.9 | -27.3 | 0 | 0 | 0 | 112.5 | K1494 Y1500 | K1494-N1498 WeakPolarHBondContact O-CA 3.4Å; K1494-N1498 WeakPolarHBondContact O-CB 3.31Å; K1494-N1498 PolarHBondContact O-N 3.43Å; K1494-N1498 PolarHBondContact O-ND2 3.22Å; K1494-N1498 VanDerWaalsContact O-ND2 3.11Å; N1498-Y1500 VanDerWaalsContact C-N 3.26Å; N1498-Y1500 PolarHBondContact O-N 3.44Å |
| 1499 | C | 32.9 | Very low | 38.8 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -73.9 | -14.1 | 170.2 | -72.3 | 0 | 0 | 0 | 0 | 113.5 | I1495 | I1495-C1499 WeakPolarHBondContact O-CB 3.4Å; I1495-C1499 PolarHBondContact O-N 3.1Å; I1495-C1499 PolarHBondContact O-SG 3.04Å |
| 1500 | Y | 31.9 | Very low | 36.5 | Very low | 193 Ų | 193 | 118.4 Ų | 118.4 | 76% | 0.757 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -120.1 | 7.8 | -173.9 | -79.1 | -96.6 | 0 | 0 | 0 | 114.9 | I1496 T1497 N1498 | I1496-Y1500 WeakPolarHBondContact O-CD2 3.42Å; T1497-Y1500 PolarHBondContact O-N 3.22Å; N1498-Y1500 VanDerWaalsContact C-N 3.26Å; N1498-Y1500 PolarHBondContact O-N 3.44Å |
| 1501 | N | 26.3 | Very low | 34.5 | Very low | 127 Ų | 127 | 122 Ų | 122 | 68% | 0.679 | 64% | 0.641 | S | S | * | * | trans | -122.8 | 72.4 | 175.8 | -76.1 | -75.4 | 0 | 0 | 0 | 112.5 | T1497 | T1497-N1501 PolarHBondContact O-N 3.26Å; T1497-N1501 PolarHBondContact O-ND2 3.33Å | ||
| 1502 | R | 27.2 | Very low | 32.7 | Very low | 235 Ų | 235 | 125.3 Ų | 125.3 | 89% | 0.887 | 66% | 0.656 | S | S | * | * | trans | -151.2 | 137.7 | 164.7 | -120 | 179.7 | 178.9 | -177.2 | -0.5 | 109.7 | ||||
| 1503 | S | 27.5 | Very low | 31.3 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | trans | 63.1 | 120.7 | -166 | 15.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1504 | D | 27.3 | Very low | 30.4 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | 70.8 | 130.7 | 68.9 | -61.3 | -42.6 | 0 | 0 | 0 | 112.2 | |||||
| 1505 | T | 27.5 | Very low | 29.6 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -164.4 | 157.9 | 0.5 | 15.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1506 | I | 26.4 | Very low | 28.9 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | trans | 55.2 | 113.7 | 144.3 | -58.9 | 159.5 | 0 | 0 | 0 | 119.9 | ||||
| 1507 | K | 29.8 | Very low | 28.6 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | 166.4 | 106.7 | 141.1 | -89.8 | 146.6 | -167.8 | 168.6 | 0 | 108.4 | ||||
| 1508 | A | 26.1 | Very low | 28.2 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | cis | 84.3 | 91.9 | 30.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1509 | K | 25.6 | Very low | 28 | Very low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -165.3 | 122.3 | 154.9 | -116.5 | -178.8 | 179.8 | -176 | 0 | 112.3 | ||||
| 1510 | V | 26.1 | Very low | 27.7 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | 37.2 | 119.9 | 144.1 | -173.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1511 | S | 26.6 | Very low | 27.6 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | -144.9 | 146.8 | 60.4 | 55 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1512 | D | 28.4 | Very low | 28 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 41.1 | 99 | 140.8 | -52.3 | -12.5 | 0 | 0 | 0 | 118.1 | ||||
| 1513 | S | 28 | Very low | 27.9 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | 75.6 | 135.1 | 87.5 | 78.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 1514 | L | 29.7 | Very low | 28.1 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | cis | -139.4 | 135.5 | 17.9 | -87.5 | 101.8 | 0 | 0 | 0 | 110 | ||||
| 1515 | N | 25.8 | Very low | 28 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | 74.4 | 135.3 | 85.7 | -72 | -17.1 | 0 | 0 | 0 | 118.3 | |||||
| 1516 | S | 27.9 | Very low | 28 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 71.2 | 152.7 | 158.2 | 79.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1517 | L | 30.3 | Very low | 28.1 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | cis | -130 | 126.2 | -1.6 | -107.6 | 106.8 | 0 | 0 | 0 | 107.2 | ||||
| 1518 | E | 28.2 | Very low | 28.1 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | 98.5 | 128.3 | 83.8 | -87.8 | -165.7 | -158.4 | 0 | 0 | 116.1 | |||||
| 1519 | N | 27.9 | Very low | 28.4 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | 65.5 | 139.1 | 137.8 | -61.5 | -31.7 | 0 | 0 | 0 | 120.8 | ||||
| 1520 | C | 28.3 | Very low | 28.6 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | cis | -140.8 | 163 | 8.8 | -129.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1521 | S | 29 | Very low | 28.9 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -107.7 | -163.2 | 171.4 | 69.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1522 | P | 34.2 | Very low | 29 | Very low | 103 Ų | 103 | 125 Ų | 125 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | cis | -130.4 | -160.1 | -26.8 | 29 | -6.8 | 0 | 0 | 0 | 111.1 | ||||
| 1523 | S | 26.1 | Very low | 29 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 85.8 | 169.2 | 139.7 | 91.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1524 | P | 30.3 | Very low | 29.2 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 60% | 0.597 | 73% | 0.732 | S | S | * | * | -142.9 | -171.4 | -104.3 | 37.4 | -13.9 | 0 | 0 | 0 | 115.8 | |||||
| 1525 | N | 26.1 | Very low | 29 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | 70.8 | 165.3 | 154.4 | -65.4 | -24.6 | 0 | 0 | 0 | 118.5 | ||||
| 1526 | N | 27.7 | Very low | 29.2 | Very low | 134 Ų | 134 | 125 Ų | 125 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | trans | 80.6 | 126 | 153.8 | -65.3 | -45.5 | 0 | 0 | 0 | 119.3 | ||||
| 1527 | K | 28.7 | Very low | 29.2 | Very low | 182 Ų | 182 | 126.6 Ų | 126.6 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | 81.2 | 82.3 | 147.7 | -65 | 163.4 | -172.5 | 177.9 | 0 | 117.7 | ||||
| 1528 | S | 29.8 | Very low | 29.1 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | -18.2 | 140.4 | 109.4 | 43.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1529 | P | 30.9 | Very low | 29.1 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | -142.7 | 168.5 | 63.7 | 41.1 | -25.3 | 0 | 0 | 0 | 117 | |||||
| 1530 | S | 31.1 | Very low | 29 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | -67.9 | 149.6 | 160.3 | 46.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1531 | P | 32.9 | Very low | 28.8 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | -105.3 | 133.1 | 110.2 | -15.1 | 32.2 | 0 | 0 | 0 | 110.7 | |||||
| 1532 | K | 28 | Very low | 28.8 | Very low | 175 Ų | 175 | 123.2 Ų | 123.2 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | 64.7 | 114.5 | 80.8 | -61 | 166.9 | -172.2 | 176 | 0 | 110.9 | |||||
| 1533 | R | 27.2 | Very low | 28.4 | Very low | 214 Ų | 214 | 127.1 Ų | 127.1 | 81% | 0.808 | 70% | 0.703 | S | S | * | * | 55.1 | 130.8 | 87.3 | -69 | -168.1 | 175.8 | -173.4 | 0.1 | 111.8 | T1535 | R1533-T1535 HydrophobicContact CB-CG2 4.1Å; R1533-T1535 HydrophobicContact CG-CG2 3.76Å | |||
| 1534 | P | 32.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | cis | -94.1 | 161.6 | 38 | -10.3 | 30.4 | 0 | 0 | 0 | 114 | ||||
| 1535 | T | 27.1 | Very low | 28.3 | Very low | 90 Ų | 90 | 129 Ų | 129 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | cis | 76 | 148.9 | 17.8 | 76.1 | 0 | 0 | 0 | 0 | 117.9 | R1533 | R1533-T1535 HydrophobicContact CB-CG2 4.1Å; R1533-T1535 HydrophobicContact CG-CG2 3.76Å | ||
| 1536 | S | 28.9 | Very low | 28.3 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | trans | 65 | 136.4 | 164.9 | 38.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1537 | L | 29 | Very low | 28.5 | Very low | 145 Ų | 145 | 129 Ų | 129 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | cis | -123.2 | 141.6 | 3.1 | -62.9 | 85.4 | 0 | 0 | 0 | 110.1 | L1539 | L1537-L1539 HydrophobicContact CD2-CD1 3.87Å; L1537-L1539 HydrophobicContact CD2-CG 4.09Å | ||
| 1538 | G | 27.9 | Very low | 28.5 | Very low | 63 Ų | 63 | 126.3 Ų | 126.3 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | cis | 86.6 | 33.5 | -10.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1539 | L | 28.1 | Very low | 28.5 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | trans | -125.2 | 116.9 | 148 | -73.4 | 172.9 | 0 | 0 | 0 | 104.4 | L1537 | L1537-L1539 HydrophobicContact CD2-CD1 3.87Å; L1537-L1539 HydrophobicContact CD2-CG 4.09Å | ||
| 1540 | T | 24.6 | Very low | 28.6 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 64% | 0.638 | 70% | 0.704 | S | S | * | * | cis | 63.5 | 150.5 | 33.9 | 90.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1541 | D | 25.5 | Very low | 28.5 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 65% | 0.647 | 71% | 0.706 | S | S | * | * | trans | 71.3 | 122.9 | -176.7 | -73.1 | 21.9 | 0 | 0 | 0 | 114.1 | ||||
| 1542 | K | 28.6 | Very low | 28.2 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 60% | 0.6 | 71% | 0.709 | S | S | * | * | cis | -158 | 137.6 | 11.2 | -104.3 | 161.7 | -176.3 | 95 | 0 | 111.6 | ||||
| 1543 | R | 26.8 | Very low | 28.3 | Very low | 185 Ų | 185 | 134 Ų | 134 | 70% | 0.698 | 71% | 0.712 | S | S | * | * | 71 | 153.6 | 129.7 | -66.4 | -179.4 | 159.2 | 153.1 | 4.1 | 119.7 | |||||
| 1544 | E | 26.5 | Very low | 28.2 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 66% | 0.659 | 71% | 0.711 | S | S | * | * | cis | -156.1 | 170.7 | -13.5 | -123.7 | 149.9 | -162.7 | 0 | 0 | 111.2 | ||||
| 1545 | S | 27.8 | Very low | 28 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | trans | 53.8 | 107.9 | 154.3 | 55.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 1546 | N | 26 | Very low | 27.9 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | 70.8 | 101.7 | 72.4 | -64.5 | -24.4 | 0 | 0 | 0 | 115.1 | |||||
| 1547 | T | 30.7 | Very low | 27.8 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | -157.1 | 107.7 | 118.1 | 37.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1548 | N | 29.3 | Very low | 27.6 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | 69.4 | 102.8 | 86.3 | -66 | -24 | 0 | 0 | 0 | 114.2 | |||||
| 1549 | N | 30.4 | Very low | 27.5 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | 177.1 | 126.7 | 104.8 | -95.5 | -59.4 | 0 | 0 | 0 | 114.4 | |||||
| 1550 | K | 31.5 | Very low | 27.5 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | 63.9 | 146.4 | 157.6 | -54.2 | 167.1 | -174.1 | 174.6 | 0 | 116.9 | ||||
| 1551 | S | 29.7 | Very low | 27.6 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | cis | -164.7 | 121.4 | -19 | 41.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1552 | L | 26.8 | Very low | 27.6 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | 85.4 | 127.8 | 66.1 | -92 | 160.3 | 0 | 0 | 0 | 114.9 | |||||
| 1553 | K | 28.9 | Very low | 27.5 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | trans | 78 | 147.2 | 164.1 | -61.3 | 169.9 | -176.5 | 179.3 | 0 | 116.3 | ||||
| 1554 | S | 25.9 | Very low | 27.7 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | cis | -152.5 | 152.6 | -3.3 | 30.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1555 | T | 27.2 | Very low | 27.9 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -75.8 | 171.9 | 163.6 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1556 | S | 25.6 | Very low | 27.9 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 58.7 | 113.5 | 150.1 | 57.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1557 | N | 26.3 | Very low | 28 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | -164.7 | 126.6 | 126.9 | -95.2 | -9.4 | 0 | 0 | 0 | 108.8 | |||||
| 1558 | I | 26.3 | Very low | 28 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | 63.9 | 102 | 102.7 | -68.5 | 168.8 | 0 | 0 | 0 | 110.7 | |||||
| 1559 | E | 25.9 | Very low | 27.9 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | 63.6 | 145.2 | 71 | -69.8 | -155.3 | 140 | 0 | 0 | 114.9 | |||||
| 1560 | Q | 26.9 | Very low | 27.8 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | trans | 62.5 | 89 | 162.9 | -60.9 | 176.3 | 42.4 | 0 | 0 | 118.8 | I1562 | Q1560-I1562 HydrophobicContact CB-CD1 3.88Å; Q1560-I1562 HydrophobicContact CG-CD1 3.78Å | ||
| 1561 | N | 26.8 | Very low | 27.6 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | trans | -170.6 | 83.3 | 138.8 | -93 | -28.9 | 0 | 0 | 0 | 107 | ||||
| 1562 | I | 26.5 | Very low | 27.6 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 55% | 0.549 | 74% | 0.744 | S | S | . | * | cis | 74 | 87.8 | 45.9 | -56.9 | -176.9 | 0 | 0 | 0 | 113.7 | Q1560 | Q1560-I1562 HydrophobicContact CB-CD1 3.88Å; Q1560-I1562 HydrophobicContact CG-CD1 3.78Å | ||
| 1563 | K | 26.8 | Very low | 27.9 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 70.8 | 164.2 | 144.1 | -60.7 | 173.7 | -175 | 177.1 | 0 | 118.4 | ||||
| 1564 | Q | 29.3 | Very low | 28.1 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | 73.5 | 129.4 | -177.6 | -50.1 | -174.9 | 7.2 | 0 | 0 | 112.2 | ||||
| 1565 | V | 31.1 | Very low | 28.8 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | cis | -124.1 | 137 | 7.2 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1566 | N | 27 | Very low | 29.2 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -82.4 | 171.2 | 169.7 | -98.6 | 11.9 | 0 | 0 | 0 | 110.6 | ||||
| 1567 | E | 29.5 | Very low | 29.8 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | 71 | 137.7 | 160.6 | -74.2 | 151.2 | -128 | 0 | 0 | 115 | ||||
| 1568 | I | 30.4 | Very low | 30.5 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | cis | -155.5 | 152.1 | 32.8 | -129.8 | 147.2 | 0 | 0 | 0 | 111.7 | ||||
| 1569 | N | 28 | Very low | 31.3 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | 56.9 | 110.2 | 166.6 | -61.1 | -5.7 | 0 | 0 | 0 | 118.1 | ||||
| 1570 | S | 27.3 | Very low | 32.2 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | 55.2 | 115.9 | 73.5 | 81.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1571 | T | 27.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | -150.9 | -168.3 | 55.1 | 40.2 | 0 | 0 | 0 | 0 | 113.8 | N1573 | T1571-N1573 PolarHBondContact O-N 3.48Š| |||
| 1572 | T | 30.4 | Very low | 34.3 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 77.1 | -8.4 | 163.2 | 65 | 0 | 0 | 0 | 0 | 122.7 | ||
| 1573 | N | 32.5 | Very low | 35.4 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | trans | -100.5 | 3.6 | -167.7 | -68.1 | 12.7 | 0 | 0 | 0 | 118.1 | T1571 T1575 | T1571-N1573 PolarHBondContact O-N 3.48Å; N1573-T1575 VanDerWaalsContact C-N 3.3Å; N1573-T1575 PolarHBondContact O-N 3.02Å | ||
| 1574 | E | 33.3 | Very low | 36.5 | Very low | 173 Ų | 173 | 112 Ų | 112 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.1 | -18.9 | -176.1 | -64.9 | -174.8 | 138.4 | 0 | 0 | 114.6 | S1578 | E1574-S1578 PolarHBondContact O-OG 3.1Å |
| 1575 | T | 39.8 | Very low | 37.5 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.2 | -33.3 | -176.6 | 44 | 0 | 0 | 0 | 0 | 113.7 | N1573 R1579 | N1573-T1575 VanDerWaalsContact C-N 3.3Å; N1573-T1575 PolarHBondContact O-N 3.02Å; T1575-R1579 WeakPolarHBondContact O-CB 3.33Å; T1575-R1579 PolarHBondContact O-N 2.96Å |
| 1576 | E | 36.8 | Very low | 38.4 | Very low | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74.2 | -40.7 | -179.5 | -68.3 | -165.8 | 132.5 | 0 | 0 | 112.5 | S1578 R1579 N1580 | E1576-S1578 VanDerWaalsContact C-N 3.33Å; E1576-S1578 PolarHBondContact O-N 2.77Å; E1576-R1579 WeakPolarHBondContact O-CB 3.36Å; E1576-R1579 PolarHBondContact O-N 3.21Å; E1576-N1580 PolarHBondContact O-N 3.11Å; E1576-N1580 PolarHBondContact O-ND2 2.75Å |
| 1577 | A | 37.1 | Very low | 39.1 | Very low | 68 Ų | 68 | 100.6 Ų | 100.6 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1580 H1581 | A1577-N1580 PolarHBondContact O-N 3.32Å; A1577-H1581 PolarHBondContact O-N 3.34Å |
| 1578 | S | 41.7 | Very low | 39.8 | Very low | 81 Ų | 81 | 96.6 Ų | 96.6 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | E1574 E1576 L1582 | E1574-S1578 PolarHBondContact O-OG 3.1Å; E1576-S1578 VanDerWaalsContact C-N 3.33Å; E1576-S1578 PolarHBondContact O-N 2.77Å; S1578-L1582 WeakPolarHBondContact O-CB 3.49Å; S1578-L1582 PolarHBondContact O-N 3Å |
| 1579 | R | 43.2 | Very low | 40.6 | Very low | 115 Ų | 115 | 93.8 Ų | 93.8 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -50 | 172.6 | -104.5 | -178 | 151.2 | 74.4 | 10.4 | 112 | N1051 T1575 E1576 L1582 L1583 | N1051-R1579 PolarHBondContact O-NE 3.04Å; N1051-R1579 PolarHBondContact O-NH2 3.22Å; T1575-R1579 WeakPolarHBondContact O-CB 3.33Å; T1575-R1579 PolarHBondContact O-N 2.96Å; E1576-R1579 WeakPolarHBondContact O-CB 3.36Å; E1576-R1579 PolarHBondContact O-N 3.21Å; R1579-L1582 PolarHBondContact O-N 3.02Å; R1579-L1583 PolarHBondContact O-N 2.96Å |
| 1580 | N | 45.6 | Very low | 41.2 | Very low | 89 Ų | 89 | 89.6 Ų | 89.6 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | -178.9 | -74.3 | -31.8 | 0 | 0 | 0 | 111.9 | E1576 A1577 L1582 L1583 I1584 | E1576-N1580 PolarHBondContact O-N 3.11Å; E1576-N1580 PolarHBondContact O-ND2 2.75Å; A1577-N1580 PolarHBondContact O-N 3.32Å; N1580-L1582 VanDerWaalsContact C-N 3.34Å; N1580-L1582 PolarHBondContact O-N 3.27Å; N1580-L1583 PolarHBondContact O-N 2.8Å; N1580-I1584 WeakPolarHBondContact O-CG1 3.2Å; N1580-I1584 PolarHBondContact O-N 3.28Å |
| 1581 | H | 47 | Very low | 41.7 | Very low | 107 Ų | 107 | 87.3 Ų | 87.3 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 173.8 | -164.2 | -37.5 | 0 | 0 | 0 | 111.6 | A1577 I1584 T1585 | A1577-H1581 PolarHBondContact O-N 3.34Å; H1581-I1584 PolarHBondContact O-N 3.11Å; H1581-T1585 PolarHBondContact ND1-OG1 3.2Å; H1581-T1585 WeakPolarHBondContact O-CB 3.29Å; H1581-T1585 PolarHBondContact O-N 3.12Å; H1581-T1585 PolarHBondContact O-OG1 2.98Å |
| 1582 | L | 50.2 | Low | 42.2 | Very low | 93 Ų | 93 | 87 Ų | 87 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 176.5 | -176.3 | 69 | 0 | 0 | 0 | 112 | S1578 R1579 N1580 K1586 | S1578-L1582 WeakPolarHBondContact O-CB 3.49Å; S1578-L1582 PolarHBondContact O-N 3Å; R1579-L1582 PolarHBondContact O-N 3.02Å; N1580-L1582 VanDerWaalsContact C-N 3.34Å; N1580-L1582 PolarHBondContact O-N 3.27Å; L1582-K1586 HydrophobicContact CD1-CG 4.44Å; L1582-K1586 HydrophobicContact CG-CD 4.21Å; L1582-K1586 HydrophobicContact CG-CG 4.41Å; L1582-K1586 VanDerWaalsContact O-CB 3.26Å; L1582-K1586 WeakPolarHBondContact O-CB 3.48Å; L1582-K1586 VanDerWaalsContact O-CG 3.25Å; L1582-K1586 WeakPolarHBondContact O-CG 3.42Å; L1582-K1586 PolarHBondContact O-N 2.86Å |
| 1583 | L | 48.4 | Very low | 42.5 | Very low | 31 Ų | 31 | 87 Ų | 87 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 172.5 | -109.1 | 84.1 | 0 | 0 | 0 | 111.3 | R1579 N1580 K1586 C1587 | R1579-L1583 PolarHBondContact O-N 2.96Å; N1580-L1583 PolarHBondContact O-N 2.8Å; L1583-K1586 PolarHBondContact O-N 2.94Å; L1583-C1587 WeakPolarHBondContact O-CB 3.45Å; L1583-C1587 PolarHBondContact O-N 3.15Å; L1583-C1587 PolarHBondContact O-SG 3.45Å |
| 1584 | I | 51.1 | Low | 42.6 | Very low | 58 Ų | 58 | 89.6 Ų | 89.6 | 30% | 0.297 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 179.7 | -65.3 | 164.2 | 0 | 0 | 0 | 110.4 | N1580 H1581 C1587 L1588 | N1580-I1584 WeakPolarHBondContact O-CG1 3.2Å; N1580-I1584 PolarHBondContact O-N 3.28Å; H1581-I1584 PolarHBondContact O-N 3.11Å; I1584-C1587 PolarHBondContact O-N 3.47Å; I1584-L1588 HydrophobicContact CG2-CD1 4.12Å; I1584-L1588 WeakPolarHBondContact O-CG 3.44Å; I1584-L1588 PolarHBondContact O-N 3.33Å |
| 1585 | T | 50.6 | Low | 42.4 | Very low | 57 Ų | 57 | 86.4 Ų | 86.4 | 35% | 0.35 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | H1581 C1587 L1588 T1589 | H1581-T1585 PolarHBondContact ND1-OG1 3.2Å; H1581-T1585 WeakPolarHBondContact O-CB 3.29Å; H1581-T1585 PolarHBondContact O-N 3.12Å; H1581-T1585 PolarHBondContact O-OG1 2.98Å; T1585-C1587 VanDerWaalsContact C-N 3.31Å; T1585-C1587 PolarHBondContact O-N 3.28Å; T1585-L1588 PolarHBondContact O-N 3.43Å; T1585-L1588 VanDerWaalsContact O-N 3.12Å; T1585-T1589 PolarHBondContact O-N 2.68Å; T1585-T1589 PolarHBondContact O-OG1 3.17Å; T1585-T1589 VanDerWaalsContact O-OG1 3.07Å |
| 1586 | K | 48.4 | Very low | 41.8 | Very low | 116 Ų | 116 | 87.4 Ų | 87.4 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 175.6 | -78.7 | 176.7 | 175.7 | -176.7 | 0 | 112 | L1582 L1583 T1589 A1590 | L1582-K1586 HydrophobicContact CD1-CG 4.44Å; L1582-K1586 HydrophobicContact CG-CD 4.21Å; L1582-K1586 HydrophobicContact CG-CG 4.41Å; L1582-K1586 VanDerWaalsContact O-CB 3.26Å; L1582-K1586 WeakPolarHBondContact O-CB 3.48Å; L1582-K1586 VanDerWaalsContact O-CG 3.25Å; L1582-K1586 WeakPolarHBondContact O-CG 3.42Å; L1582-K1586 PolarHBondContact O-N 2.86Å; L1583-K1586 PolarHBondContact O-N 2.94Å; K1586-T1589 PolarHBondContact O-N 3.05Å; K1586-A1590 VanDerWaalsContact O-CB 3.3Å; K1586-A1590 WeakPolarHBondContact O-CB 3.29Å; K1586-A1590 PolarHBondContact O-N 3.08Å |
| 1587 | C | 42.6 | Very low | 41.4 | Very low | 38 Ų | 38 | 87.2 Ų | 87.2 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | L1583 I1584 T1585 A1590 L1591 | L1583-C1587 WeakPolarHBondContact O-CB 3.45Å; L1583-C1587 PolarHBondContact O-N 3.15Å; L1583-C1587 PolarHBondContact O-SG 3.45Å; I1584-C1587 PolarHBondContact O-N 3.47Å; T1585-C1587 VanDerWaalsContact C-N 3.31Å; T1585-C1587 PolarHBondContact O-N 3.28Å; C1587-A1590 PolarHBondContact O-N 3.38Å; C1587-L1591 WeakPolarHBondContact O-CB 3.24Å; C1587-L1591 VanDerWaalsContact O-CG 3.24Å; C1587-L1591 WeakPolarHBondContact O-CG 3.34Å; C1587-L1591 PolarHBondContact O-N 2.84Å |
| 1588 | L | 44.8 | Very low | 40.9 | Very low | 79 Ų | 79 | 90.5 Ų | 90.5 | 41% | 0.414 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.7 | -73.4 | 163.7 | 0 | 0 | 0 | 112.3 | I1584 T1585 L1591 T1592 | I1584-L1588 HydrophobicContact CG2-CD1 4.12Å; I1584-L1588 WeakPolarHBondContact O-CG 3.44Å; I1584-L1588 PolarHBondContact O-N 3.33Å; T1585-L1588 PolarHBondContact O-N 3.43Å; T1585-L1588 VanDerWaalsContact O-N 3.12Å; L1588-L1591 HydrophobicContact CD2-CD1 4.45Å; L1588-L1591 WeakPolarHBondContact O-CB 3.4Å; L1588-L1591 PolarHBondContact O-N 2.91Å; L1588-T1592 PolarHBondContact O-N 2.85Å |
| 1589 | T | 45.5 | Very low | 40.2 | Very low | 77 Ų | 77 | 94.9 Ų | 94.9 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.8 | -33.2 | 174.9 | -44.7 | 0 | 0 | 0 | 0 | 112.5 | T1585 K1586 T1592 N1593 | T1585-T1589 PolarHBondContact O-N 2.68Å; T1585-T1589 PolarHBondContact O-OG1 3.17Å; T1585-T1589 VanDerWaalsContact O-OG1 3.07Å; K1586-T1589 PolarHBondContact O-N 3.05Å; T1589-T1592 PolarHBondContact O-OG1 2.95Å; T1589-N1593 VanDerWaalsContact O-CG 3.28Å |
| 1590 | A | 42.3 | Very low | 39.4 | Very low | 44 Ų | 44 | 94.6 Ų | 94.6 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | K1586 C1587 T1592 N1593 Y1594 | K1586-A1590 VanDerWaalsContact O-CB 3.3Å; K1586-A1590 WeakPolarHBondContact O-CB 3.29Å; K1586-A1590 PolarHBondContact O-N 3.08Å; C1587-A1590 PolarHBondContact O-N 3.38Å; A1590-T1592 VanDerWaalsContact C-N 3.34Å; A1590-T1592 PolarHBondContact O-N 2.73Å; A1590-N1593 PolarHBondContact O-N 2.84Å; A1590-Y1594 WeakPolarHBondContact O-CB 3.4Å; A1590-Y1594 PolarHBondContact O-N 2.95Å |
| 1591 | L | 38.1 | Very low | 38.6 | Very low | 49 Ų | 49 | 96.5 Ų | 96.5 | 26% | 0.257 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 177.7 | -81.7 | 166.3 | 0 | 0 | 0 | 113.6 | W1482 C1587 L1588 N1593 L1595 | W1482-L1591 HydrophobicContact CZ2-CD1 3.96Å; W1482-L1591 HydrophobicContact CZ2-CD2 3.84Å; W1482-L1591 HydrophobicContact CZ2-CG 4.22Å; C1587-L1591 WeakPolarHBondContact O-CB 3.24Å; C1587-L1591 VanDerWaalsContact O-CG 3.24Å; C1587-L1591 WeakPolarHBondContact O-CG 3.34Å; C1587-L1591 PolarHBondContact O-N 2.84Å; L1588-L1591 HydrophobicContact CD2-CD1 4.45Å; L1588-L1591 WeakPolarHBondContact O-CB 3.4Å; L1588-L1591 PolarHBondContact O-N 2.91Å; L1591-N1593 VanDerWaalsContact C-N 3.25Å; L1591-N1593 PolarHBondContact O-N 3.29Å; L1591-L1595 WeakPolarHBondContact O-CD1 3.48Å |
| 1592 | T | 37.2 | Very low | 37.7 | Very low | 107 Ų | 107 | 97.6 Ų | 97.6 | 66% | 0.656 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.3 | -21.3 | 172.8 | 47.2 | 0 | 0 | 0 | 0 | 113.5 | L1588 T1589 A1590 | L1588-T1592 PolarHBondContact O-N 2.85Å; T1589-T1592 PolarHBondContact O-OG1 2.95Å; A1590-T1592 VanDerWaalsContact C-N 3.34Å; A1590-T1592 PolarHBondContact O-N 2.73Å |
| 1593 | N | 35.6 | Very low | 36.7 | Very low | 121 Ų | 121 | 101.3 Ų | 101.3 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -107.6 | -24.2 | -170.9 | -64.7 | 1.7 | 0 | 0 | 0 | 114 | T1589 A1590 L1591 | T1589-N1593 VanDerWaalsContact O-CG 3.28Å; A1590-N1593 PolarHBondContact O-N 2.84Å; L1591-N1593 VanDerWaalsContact C-N 3.25Å; L1591-N1593 PolarHBondContact O-N 3.29Å |
| 1594 | Y | 35.5 | Very low | 35.8 | Very low | 170 Ų | 170 | 106.3 Ų | 106.3 | 67% | 0.667 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -105.9 | 20.8 | -176.7 | -88.4 | -87.3 | 0 | 0 | 0 | 114.3 | A1590 P1596 | A1590-Y1594 WeakPolarHBondContact O-CB 3.4Å; A1590-Y1594 PolarHBondContact O-N 2.95Å; Y1594-P1596 WeakPolarHBondContact O-CD 3.32Å |
| 1595 | L | 29 | Very low | 34.6 | Very low | 107 Ų | 107 | 112.7 Ų | 112.7 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | trans | -92.5 | 103.4 | 172.1 | -90.6 | 169.6 | 0 | 0 | 0 | 111 | L1591 I1597 | L1591-L1595 WeakPolarHBondContact O-CD1 3.48Å; L1595-I1597 HydrophobicContact CB-CD1 4Å; L1595-I1597 HydrophobicContact CB-CG1 4.18Å; L1595-I1597 HydrophobicContact CD1-CD1 4.15Å; L1595-I1597 HydrophobicContact CD2-CD1 4.41Å; L1595-I1597 HydrophobicContact CG-CD1 4.43Å; L1595-I1597 PolarHBondContact O-N 3.04Å | ||
| 1596 | P | 28.2 | Very low | 33.5 | Very low | 116 Ų | 116 | 113.4 Ų | 113.4 | 75% | 0.753 | 60% | 0.596 | S | S | * | * | trans | -77.8 | 63.1 | 176.4 | 34.9 | -37.9 | 0 | 0 | 0 | 111.3 | Y1594 N1598 | Y1594-P1596 WeakPolarHBondContact O-CD 3.32Å; P1596-N1598 PolarHBondContact O-N 2.99Å; P1596-N1598 VanDerWaalsContact O-N 3.13Å | ||
| 1597 | I | 27.1 | Very low | 32.5 | Very low | 109 Ų | 109 | 115.1 Ų | 115.1 | 56% | 0.559 | 62% | 0.616 | S | S | * | * | trans | -70.5 | -2.7 | 175.9 | -70.8 | 168.8 | 0 | 0 | 0 | 111.7 | L1595 K1599 I1602 | L1595-I1597 HydrophobicContact CB-CD1 4Å; L1595-I1597 HydrophobicContact CB-CG1 4.18Å; L1595-I1597 HydrophobicContact CD1-CD1 4.15Å; L1595-I1597 HydrophobicContact CD2-CD1 4.41Å; L1595-I1597 HydrophobicContact CG-CD1 4.43Å; L1595-I1597 PolarHBondContact O-N 3.04Å; I1597-K1599 PolarHBondContact O-N 2.69Å; I1597-K1599 VanDerWaalsContact O-N 3.11Å; I1597-I1602 HydrophobicContact CG2-CD1 4.08Å | ||
| 1598 | N | 26 | Very low | 31.7 | Very low | 137 Ų | 137 | 119.2 Ų | 119.2 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -66.4 | 108.8 | -179.6 | -82.9 | -50.7 | 0 | 0 | 0 | 113.7 | P1596 C1600 | P1596-N1598 PolarHBondContact O-N 2.99Å; P1596-N1598 VanDerWaalsContact O-N 3.13Å; N1598-C1600 PolarHBondContact O-N 3.12Å |
| 1599 | K | 27.5 | Very low | 30.9 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 83 | -31.7 | 152.8 | -58 | 178.4 | -179.9 | 175.6 | 0 | 120.1 | I1597 | I1597-K1599 PolarHBondContact O-N 2.69Å; I1597-K1599 VanDerWaalsContact O-N 3.11Å |
| 1600 | C | 26.3 | Very low | 30.1 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -87.8 | -54.7 | -174.8 | -75.4 | 0 | 0 | 0 | 0 | 115.8 | N1598 I1602 | N1598-C1600 PolarHBondContact O-N 3.12Å; C1600-I1602 PolarHBondContact O-N 3.07Å |
| 1601 | L | 29.5 | Very low | 29.3 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -71.7 | -23.3 | -166.6 | -84.4 | 160.5 | 0 | 0 | 0 | 115.6 | R1603 | L1601-R1603 VanDerWaalsContact C-N 3.28Å; L1601-R1603 PolarHBondContact O-N 2.81Å |
| 1602 | I | 28.7 | Very low | 28.9 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 67% | 0.667 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -77 | -11.6 | -175.3 | -64.1 | 173.3 | 0 | 0 | 0 | 112.6 | I1597 C1600 | I1597-I1602 HydrophobicContact CG2-CD1 4.08Å; C1600-I1602 PolarHBondContact O-N 3.07Å |
| 1603 | R | 27.4 | Very low | 28.3 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -96.3 | -0.9 | -172.2 | -75.3 | -173.8 | 164.4 | -160.4 | -6.9 | 116.1 | W1397 L1601 | W1397-R1603 HydrophobicContact CH2-CG 4.2Å; L1601-R1603 VanDerWaalsContact C-N 3.28Å; L1601-R1603 PolarHBondContact O-N 2.81Å |
| 1604 | H | 29.3 | Very low | 27.8 | Very low | 136 Ų | 136 | 141 Ų | 141 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -127.6 | -6.6 | -171.3 | -82.2 | 26.1 | 0 | 0 | 0 | 116.1 | ||
| 1605 | F | 26.2 | Very low | 27.5 | Very low | 193 Ų | 193 | 140 Ų | 140 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -122.1 | 104.6 | 170 | -72.9 | -80 | 0 | 0 | 0 | 109.2 | ||||
| 1606 | G | 27.4 | Very low | 27.3 | Very low | 71 Ų | 71 | 142.5 Ų | 142.5 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | -132.5 | 27.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1607 | V | 28.6 | Very low | 27.1 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 92% | 0.921 | 74% | 0.743 | S | S | * | * | trans | -64.6 | 135.3 | 169.3 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1608 | T | 24.6 | Very low | 27.2 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | trans | -87.7 | 131.2 | -161.5 | 64.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1609 | T | 28.8 | Very low | 27.1 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -156.1 | 115.2 | 146.7 | 36.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1610 | K | 28.7 | Very low | 27 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | trans | 40.4 | 113.1 | 140 | -59.7 | 176.7 | -177.3 | 174.4 | 0 | 120.3 | ||||
| 1611 | Q | 25.6 | Very low | 26.9 | Very low | 143 Ų | 143 | 143 Ų | 143 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | trans | -21.5 | 152.8 | 141.3 | -87 | 173.5 | -4.7 | 0 | 0 | 117 | Y1613 | Q1611-Y1613 HydrophobicContact CG-CE2 4.32Å; Q1611-Y1613 PolarHBondContact NE2-OH 3.23Å; Q1611-Y1613 PolarHBondContact OE1-OH 3.02Å | ||
| 1612 | P | 29 | Very low | 26.9 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | -146 | 167 | 60 | 41.5 | -22.9 | 0 | 0 | 0 | 120.3 | |||||
| 1613 | Y | 24.8 | Very low | 26.8 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | -55.3 | 152.5 | 166.7 | -30.9 | -105.5 | 0 | 0 | 0 | 114.5 | Q1611 | Q1611-Y1613 HydrophobicContact CG-CE2 4.32Å; Q1611-Y1613 PolarHBondContact NE2-OH 3.23Å; Q1611-Y1613 PolarHBondContact OE1-OH 3.02Å | ||
| 1614 | L | 26.3 | Very low | 27.1 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -173.4 | 154.7 | 133.5 | -109.4 | 165.3 | 0 | 0 | 0 | 113.5 | ||||
| 1615 | I | 29.7 | Very low | 27 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 72.9 | 83 | 170.3 | -51.6 | 161.2 | 0 | 0 | 0 | 116.4 | ||||
| 1616 | D | 23.3 | Very low | 27 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -74.6 | 147.7 | 134.8 | -78.4 | -63.9 | 0 | 0 | 0 | 110 | ||||
| 1617 | S | 24.9 | Very low | 27.1 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | trans | 151.7 | 160.3 | 143.6 | 53.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1618 | I | 28.7 | Very low | 26.9 | Very low | 152 Ų | 152 | 137 Ų | 137 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | 65.7 | 83.2 | 178.1 | -44.3 | 173.4 | 0 | 0 | 0 | 112.2 | ||||
| 1619 | T | 24.5 | Very low | 27.1 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | cis | 55.8 | 112.2 | 46.1 | 74.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1620 | N | 24.4 | Very low | 27 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 67.1 | 116.7 | 150 | -53.8 | -8.6 | 0 | 0 | 0 | 119.3 | ||||
| 1621 | N | 25 | Very low | 27 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | 176 | 175.6 | 96.5 | -88.8 | -51.5 | 0 | 0 | 0 | 113 | |||||
| 1622 | I | 29.1 | Very low | 27.1 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | 81.7 | 84.3 | 163.6 | -41.9 | -175 | 0 | 0 | 0 | 117.8 | ||||
| 1623 | S | 26.7 | Very low | 27.1 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | -87 | -166.8 | 136.7 | 60.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1624 | P | 33.5 | Very low | 27.2 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | cis | -145.5 | -149.2 | 10.2 | 32.5 | -4.1 | 0 | 0 | 0 | 115.3 | ||||
| 1625 | L | 28.4 | Very low | 27.5 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 89.1 | 144.8 | 169.8 | -82.6 | 64.5 | 0 | 0 | 0 | 118.7 | ||||
| 1626 | S | 26.4 | Very low | 27.5 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | cis | -176.1 | 174.3 | -25.3 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1627 | I | 28 | Very low | 28 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | trans | 79.6 | 145.4 | 159.3 | -64.6 | 158.9 | 0 | 0 | 0 | 117.8 | ||||
| 1628 | S | 25.8 | Very low | 28.3 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | -175.2 | 172.5 | -64.9 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1629 | K | 28.3 | Very low | 28.5 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 81% | 0.809 | 72% | 0.718 | S | S | * | * | trans | 84 | 151.3 | 167.6 | -55.5 | -176.7 | 177.9 | -178.4 | 0 | 118.6 | ||||
| 1630 | T | 26.9 | Very low | 28.8 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | cis | -168.6 | 144.5 | -22 | 31.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1631 | D | 27.9 | Very low | 29 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | 20.3 | 161.8 | 128.5 | -23 | -42.9 | 0 | 0 | 0 | 120.7 | |||||
| 1632 | S | 27.6 | Very low | 29.2 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | cis | -175 | 169.7 | 18.8 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1633 | D | 29 | Very low | 29.2 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 69% | 0.692 | S | S | * | * | cis | -177.7 | -179.5 | -24.6 | -83.1 | -36.1 | 0 | 0 | 0 | 109.4 | ||||
| 1634 | F | 27.4 | Very low | 29.3 | Very low | 170 Ų | 170 | 129 Ų | 129 | 75% | 0.746 | 70% | 0.697 | S | S | * | * | trans | 78.2 | 156.2 | 156.2 | -56.4 | -52 | 0 | 0 | 0 | 120.6 | ||||
| 1635 | H | 31.8 | Very low | 29.1 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 75% | 0.75 | 70% | 0.701 | S | S | * | * | cis | -168.6 | 176.5 | -3.4 | -111.7 | -20.4 | 0 | 0 | 0 | 109 | ||||
| 1636 | S | 30.8 | Very low | 29 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 51% | 0.51 | 69% | 0.692 | S | S | . | * | cis | -173.3 | 175.2 | -14.5 | 54.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1637 | D | 32.1 | Very low | 29 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | trans | 72 | 146.9 | 148 | -52.4 | -34.8 | 0 | 0 | 0 | 124.2 | ||||
| 1638 | D | 32.6 | Very low | 29.1 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | cis | -171.2 | -170.5 | -22.2 | 178.5 | 38.8 | 0 | 0 | 0 | 109.1 | ||||
| 1639 | V | 32.8 | Very low | 29.3 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 76% | 0.764 | 70% | 0.695 | S | S | * | * | trans | 112.4 | 151.7 | 154 | -173.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1640 | K | 29.7 | Very low | 29.3 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 44% | 0.439 | 70% | 0.697 | S | S | . | * | trans | -146.6 | 162.5 | -155.6 | -64.5 | 157.3 | 178.9 | 159.6 | 0 | 113.7 | ||||
| 1641 | M | 29.7 | Very low | 29.4 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 74% | 0.739 | 70% | 0.697 | S | S | * | * | 162.5 | 125.7 | 123.1 | -87.5 | -69.2 | 132 | 0 | 0 | 117.6 | |||||
| 1642 | N | 29.9 | Very low | 29.7 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | 18.6 | 163.5 | 144.7 | -53.5 | -5.3 | 0 | 0 | 0 | 123.6 | ||||
| 1643 | T | 28.9 | Very low | 29.7 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 69% | 0.687 | 70% | 0.697 | S | S | * | * | cis | -165.3 | 147.7 | 24.5 | -24.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1644 | Q | 28.4 | Very low | 29.9 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | 37.6 | 155.9 | 150 | -71.4 | 169.2 | -32.6 | 0 | 0 | 122.9 | ||||
| 1645 | M | 28.2 | Very low | 29.9 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 77% | 0.768 | 72% | 0.715 | S | S | * | * | cis | -172.4 | 141.5 | 41.9 | -160.3 | 172.5 | 172.8 | 0 | 0 | 114.9 | ||||
| 1646 | D | 26.1 | Very low | 29.9 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 60% | 0.604 | 71% | 0.714 | S | S | * | * | trans | 46.2 | 156.4 | 143.3 | -60 | -6.7 | 0 | 0 | 0 | 125.4 | ||||
| 1647 | M | 27.5 | Very low | 29.8 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | cis | -168.4 | 159.2 | -7.5 | -114.8 | -168.2 | -64.2 | 0 | 0 | 115.4 | ||||
| 1648 | I | 29.2 | Very low | 29.5 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 80% | 0.795 | 73% | 0.73 | S | S | * | * | trans | 64.6 | 141.7 | 149 | -64.1 | 163.6 | 0 | 0 | 0 | 121.2 | ||||
| 1649 | G | 30.9 | Very low | 29.1 | Very low | 58 Ų | 58 | 137.3 Ų | 137.3 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | cis | 154.6 | 130.8 | -16.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1650 | S | 28.9 | Very low | 28.7 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | 65.3 | 167.9 | 152.5 | 69.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1651 | V | 28.7 | Very low | 28.5 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | cis | -147.5 | 168.7 | 19.2 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1652 | Y | 32.9 | Very low | 28.3 | Very low | 210 Ų | 210 | 147.1 Ų | 147.1 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 88.1 | 139.9 | 165.1 | -60.3 | -78.1 | 0 | 0 | 0 | 118.5 | ||||
| 1653 | S | 28.6 | Very low | 28.1 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | 164.6 | 123.1 | -54.9 | 58.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1654 | D | 31.8 | Very low | 27.8 | Very low | 168 Ų | 168 | 151 Ų | 151 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -170.7 | 150.1 | 137.4 | -100.8 | -13.9 | 0 | 0 | 0 | 111.1 | ||||
| 1655 | Q | 28 | Very low | 27.6 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -148.1 | -174.1 | -173.8 | -110.1 | -170.4 | -5.5 | 0 | 0 | 107.1 | ||||
| 1656 | P | 31.6 | Very low | 27.5 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | cis | -128.2 | -174.1 | -3.1 | 41.6 | -26.3 | 0 | 0 | 0 | 113 | ||||
| 1657 | A | 30 | Very low | 27.6 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | 168.7 | 115.2 | 121.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1658 | E | 24.2 | Very low | 27.6 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -94.6 | 155.2 | 174.9 | -55.5 | 155.6 | 113 | 0 | 0 | 110.8 | ||||
| 1659 | M | 25.8 | Very low | 27.9 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 93% | 0.931 | 80% | 0.795 | S | S | * | * | -163.5 | 127.6 | 127.5 | -115.5 | -179.5 | 179.1 | 0 | 0 | 112.9 | |||||
| 1660 | N | 24.6 | Very low | 27.7 | Very low | 134 Ų | 134 | 151.1 Ų | 151.1 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | trans | -72.2 | 160.7 | 161.9 | -66.5 | -66.1 | 0 | 0 | 0 | 110.1 | ||||
| 1661 | Y | 25.1 | Very low | 27.7 | Very low | 225 Ų | 225 | 150.5 Ų | 150.5 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | -173.6 | 146 | 102.5 | -110.8 | -81 | 0 | 0 | 0 | 113.6 | |||||
| 1662 | R | 24.3 | Very low | 27.6 | Very low | 224 Ų | 224 | 149.4 Ų | 149.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -76.8 | 149.9 | 164.6 | -56.2 | 170 | 178 | 169.9 | -3 | 109.3 | ||||
| 1663 | S | 25.4 | Very low | 27.4 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | 173.1 | 142.1 | 123.6 | 39.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1664 | F | 23.4 | Very low | 27.2 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | trans | -96 | 171.3 | 154.7 | -102.1 | -104.7 | 0 | 0 | 0 | 108.7 | ||||
| 1665 | S | 24.5 | Very low | 27 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 83.1 | 116.6 | 164.1 | 78.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 1666 | S | 25.9 | Very low | 26.9 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 48.9 | 122.5 | 136.2 | 60 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1667 | G | 27.9 | Very low | 26.7 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | -178.3 | 123 | 156.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1668 | I | 27.9 | Very low | 26.7 | Very low | 165 Ų | 165 | 144 Ų | 144 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -109.6 | -175.3 | -175.5 | -20.6 | 179.6 | 0 | 0 | 0 | 110.8 | ||||
| 1669 | P | 34.6 | Very low | 26.9 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | -116.9 | -174.3 | -112.3 | 42.8 | -28 | 0 | 0 | 0 | 114.8 | |||||
| 1670 | R | 27.8 | Very low | 27 | Very low | 232 Ų | 232 | 140.9 Ų | 140.9 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | -173 | 151.5 | 123.4 | -102.4 | 157.2 | -174.1 | -179.2 | 2.2 | 115.5 | |||||
| 1671 | S | 27.9 | Very low | 27.2 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -8.1 | 149.1 | 152.6 | 55.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1672 | A | 26.3 | Very low | 27.3 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | cis | 179.6 | 174.2 | 33.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1673 | T | 29 | Very low | 27.3 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | cis | -168.7 | 159.2 | -7.7 | 25.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1674 | T | 26.1 | Very low | 27.2 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | 59.9 | 142.7 | 153.6 | 45.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1675 | D | 27.6 | Very low | 27.3 | Very low | 138 Ų | 138 | 128 Ų | 128 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -135.8 | 123.7 | 19.1 | -101.5 | -50.5 | 0 | 0 | 0 | 115.9 | ||||
| 1676 | S | 25.2 | Very low | 27.3 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 50% | 0.503 | 76% | 0.758 | S | S | . | * | 41.5 | 96.1 | 111.9 | -40.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1677 | I | 27.6 | Very low | 27.2 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | S | Bend | -177.6 | -25.9 | 127.4 | -99.3 | 161.2 | 0 | 0 | 0 | 114.6 | |||
| 1678 | Q | 30.3 | Very low | 27.1 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -92 | 3.7 | 179.8 | -75.5 | -171.7 | -22.5 | 0 | 0 | 115.6 | I1680 L1681 | Q1678-I1680 PolarHBondContact O-N 2.91Å; Q1678-L1681 PolarHBondContact O-N 3.22Å |
| 1679 | N | 28.7 | Very low | 27.2 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 30.5 | -171.6 | -67.2 | -6.2 | 0 | 0 | 0 | 115.4 | ||
| 1680 | I | 26.7 | Very low | 27.2 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 83% | 0.831 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -10.6 | 169.1 | -67.5 | 175.9 | 0 | 0 | 0 | 111.1 | Q1678 | Q1678-I1680 PolarHBondContact O-N 2.91Š|
| 1681 | L | 27.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -106.3 | -1.4 | -173.4 | -75 | 167.1 | 0 | 0 | 0 | 115.8 | Q1678 | Q1678-L1681 PolarHBondContact O-N 3.22Š|
| 1682 | N | 27.8 | Very low | 28.6 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 84% | 0.84 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -134.8 | 24.7 | -177.4 | -73.1 | -56.5 | 0 | 0 | 0 | 113.2 | ||
| 1683 | G | 24.7 | Very low | 29.2 | Very low | 57 Ų | 57 | 123.4 Ų | 123.4 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | trans | -112.6 | 165.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1684 | E | 24 | Very low | 29.8 | Very low | 191 Ų | 191 | 119 Ų | 119 | 89% | 0.893 | 64% | 0.641 | S | S | * | * | trans | 54.6 | 98.5 | 158.3 | -57 | -175.4 | 172 | 0 | 0 | 117.6 | ||||
| 1685 | S | 24.7 | Very low | 30.5 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | -179.3 | 141.4 | 96 | 45.3 | 0 | 0 | 0 | 0 | 114.9 | F1687 | S1685-F1687 VanDerWaalsContact C-N 3.35Å; S1685-F1687 VanDerWaalsContact CB-CD2 3.46Å; S1685-F1687 PolarHBondContact O-N 2.98Å; S1685-F1687 VanDerWaalsContact O-N 3.12Å | |||
| 1686 | Y | 23.9 | Very low | 31.2 | Very low | 247 Ų | 247 | 117.2 Ų | 117.2 | 97% | 0.969 | 62% | 0.624 | S | S | * | * | trans | -78.1 | 78 | 165.7 | -81.4 | -108.8 | 0 | 0 | 0 | 110.1 | ||||
| 1687 | F | 24 | Very low | 32.1 | Very low | 151 Ų | 151 | 117 Ų | 117 | 66% | 0.662 | 62% | 0.617 | S | S | * | * | trans | -125.5 | 79.6 | 177.8 | -82.1 | -54.6 | 0 | 0 | 0 | 114.9 | S1685 S1689 R1717 | S1685-F1687 VanDerWaalsContact C-N 3.35Å; S1685-F1687 VanDerWaalsContact CB-CD2 3.46Å; S1685-F1687 PolarHBondContact O-N 2.98Å; S1685-F1687 VanDerWaalsContact O-N 3.12Å; F1687-S1689 VanDerWaalsContact C-N 3.27Å; F1687-S1689 WeakPolarHBondContact O-CA 3.27Å; F1687-S1689 PolarHBondContact O-N 2.9Å; F1687-R1717 PolarHBondContact O-NH1 2.99Å; F1687-R1717 VanDerWaalsContact O-NH1 3.15Å | ||
| 1688 | S | 26.5 | Very low | 33 | Very low | 88 Ų | 88 | 109.8 Ų | 109.8 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | trans | 33.5 | 49.9 | 132 | 62.5 | 0 | 0 | 0 | 0 | 116.9 | S1690 R1717 | S1688-S1690 PolarHBondContact O-N 2.71Å; S1688-S1690 VanDerWaalsContact O-N 3.07Å; S1688-R1717 VanDerWaalsContact O-CZ 3.28Å; S1688-R1717 PolarHBondContact O-NH1 2.82Å; S1688-R1717 PolarHBondContact O-NH2 2.87Å; S1688-R1717 PolarHBondContact OG-NH1 2.81Å | ||
| 1689 | S | 30 | Very low | 34.1 | Very low | 94 Ų | 94 | 102.9 Ų | 102.9 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | trans | -63.1 | 117.8 | -165.2 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | F1687 Y1691 | F1687-S1689 VanDerWaalsContact C-N 3.27Å; F1687-S1689 WeakPolarHBondContact O-CA 3.27Å; F1687-S1689 PolarHBondContact O-N 2.9Å; S1689-Y1691 PolarHBondContact O-N 3.02Å | ||
| 1690 | S | 34.7 | Very low | 35.3 | Very low | 42 Ų | 42 | 97.5 Ų | 97.5 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | trans | -77 | 88.1 | -160.5 | 31.8 | 0 | 0 | 0 | 0 | 111.3 | S1688 L1692 R1717 R1808 | S1688-S1690 PolarHBondContact O-N 2.71Å; S1688-S1690 VanDerWaalsContact O-N 3.07Å; S1690-L1692 PolarHBondContact O-N 3.4Å; S1690-R1717 PolarHBondContact OG-NE 3.01Å; S1690-R1717 PolarHBondContact OG-NH2 2.87Å; S1690-R1808 PolarHBondContact O-NH1 3.39Å | ||
| 1691 | Y | 37.4 | Very low | 36.7 | Very low | 179 Ų | 179 | 91.6 Ų | 91.6 | 70% | 0.702 | 49% | 0.488 | S | S | * | . | trans | -33.3 | 120 | 170.2 | -72.3 | -85.1 | 0 | 0 | 0 | 111.2 | S1689 V1693 R1808 | S1689-Y1691 PolarHBondContact O-N 3.02Å; Y1691-V1693 PolarHBondContact O-N 3.02Å; Y1691-R1808 PolarHBondContact O-NH1 3.2Å; Y1691-R1808 PolarHBondContact O-NH2 2.84Å | ||
| 1692 | L | 47.8 | Very low | 38.3 | Very low | 32 Ų | 32 | 85.5 Ų | 85.5 | 17% | 0.168 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 64.8 | 179.6 | -80.2 | 163.9 | 0 | 0 | 0 | 109.6 | S1690 L1735 G1746 L1747 L1810 | S1690-L1692 PolarHBondContact O-N 3.4Å; L1692-L1735 HydrophobicContact CD1-CD1 4.38Å; L1692-G1746 CarbonylContact O-C 3.52Å; L1692-G1746 WeakPolarHBondContact O-CA 3.44Å; L1692-L1747 CarbonylContact O-C 3.51Å; L1692-L1747 PolarHBondContact O-N 2.89Å; L1692-L1810 HydrophobicContact CD2-CD1 4.05Å; L1692-L1810 HydrophobicContact CD2-CD2 3.53Å; L1692-L1810 HydrophobicContact CD2-CG 4.42Å |
| 1693 | V | 38.7 | Very low | 39.8 | Very low | 69 Ų | 69 | 81 Ų | 81 | 42% | 0.418 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.5 | -174.1 | 175.2 | 0 | 0 | 0 | 0 | 107 | Y1691 | Y1691-V1693 PolarHBondContact O-N 3.02Å |
| 1694 | G | 42.5 | Very low | 42.2 | Very low | 24 Ų | 24 | 82.4 Ų | 82.4 | 25% | 0.247 | 43% | 0.434 | C | S | . | . | trans | -71.9 | 164.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | C1696 | G1694-C1696 WeakPolarHBondContact O-CB 3.47Å; G1694-C1696 PolarHBondContact O-SG 3.4Å | ||
| 1695 | E | 39.5 | Very low | 45 | Very low | 179 Ų | 179 | 76.9 Ų | 76.9 | 84% | 0.836 | 41% | 0.41 | S | S | * | . | trans | -64.8 | 142.5 | 173.4 | -73.3 | -167.3 | 128.9 | 0 | 0 | 111.6 | ||||
| 1696 | C | 42.4 | Very low | 48 | Very low | 34 Ų | 34 | 74.6 Ų | 74.6 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | trans | -150.9 | 102 | -149.9 | -95.9 | 0 | 0 | 0 | 0 | 115.7 | T1389 R1390 G1694 | T1389-C1696 VanDerWaalsContact C-CA 3.46Å; T1389-C1696 CarbonylContact C-O 3.58Å; T1389-C1696 VanDerWaalsContact CB-CA 3.47Å; T1389-C1696 CarbonylContact O-C 3.59Å; T1389-C1696 WeakPolarHBondContact O-CA 3.32Å; T1389-C1696 WeakPolarHBondContact O-CB 3.37Å; T1389-C1696 PolarHBondContact O-SG 2.8Å; R1390-C1696 WeakPolarHBondContact CA-O 3.45Å; R1390-C1696 PolarHBondContact N-O 3.44Å; G1694-C1696 WeakPolarHBondContact O-CB 3.47Å; G1694-C1696 PolarHBondContact O-SG 3.4Å | ||
| 1697 | D | 44 | Very low | 51.1 | Low | 67 Ų | 67 | 65.8 Ų | 65.8 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -122.3 | 98.3 | 154.6 | 63.7 | 159.9 | 0 | 0 | 0 | 123.5 | N1387 T1389 R1390 | N1387-D1697 WeakPolarHBondContact CB-O 3.31Å; N1387-D1697 PolarHBondContact ND2-O 2.9Å; N1387-D1697 PolarHBondContact ND2-OD1 3.32Å; N1387-D1697 PolarHBondContact OD1-O 2.82Å; N1387-D1697 VanDerWaalsContact OD1-O 3.11Å; T1389-D1697 VanDerWaalsContact CA-CA 3.41Å; T1389-D1697 WeakPolarHBondContact CA-O 3.48Å; T1389-D1697 VanDerWaalsContact CB-C 3.49Å; T1389-D1697 WeakPolarHBondContact CB-OD2 3.37Å; T1389-D1697 PolarHBondContact N-O 2.85Å; T1389-D1697 PolarHBondContact OG1-N 2.89Å; T1389-D1697 PolarHBondContact OG1-O 3.05Å; T1389-D1697 PolarHBondContact OG1-OD2 2.88Å; R1390-D1697 VanDerWaalsContact CA-C 3.45Å; R1390-D1697 HydrophobicContact CB-CB 3.83Å; R1390-D1697 HydrophobicContact CG-CB 3.54Å |
| 1698 | E | 47.5 | Very low | 54.3 | Low | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | cis | -83.3 | 158 | -5 | -149.6 | 86.8 | 121.1 | 0 | 0 | 122.6 | T1385 N1387 P1388 T1389 R1390 A1391 R1394 | T1385-E1698 WeakPolarHBondContact CB-OE1 3.15Å; T1385-E1698 WeakPolarHBondContact CG2-OE1 3.31Å; T1385-E1698 WeakPolarHBondContact OG1-CG 3.32Å; T1385-E1698 PolarHBondContact OG1-OE1 2.9Å; N1387-E1698 WeakPolarHBondContact O-CB 3.22Å; P1388-E1698 CarbonylContact C-O 3.57Å; P1388-E1698 WeakPolarHBondContact CA-O 3.22Å; T1389-E1698 CarbonylContact C-O 3.59Å; T1389-E1698 WeakPolarHBondContact CA-O 3.12Å; T1389-E1698 VanDerWaalsContact N-C 3.35Å; T1389-E1698 PolarHBondContact N-O 2.96Å; T1389-E1698 CarbonylContact O-C 3.53Å; R1390-E1698 VanDerWaalsContact CA-N 3.26Å; R1390-E1698 HydrophobicContact CB-CB 4.24Å; R1390-E1698 WeakPolarHBondContact CB-OE2 3.38Å; A1391-E1698 HydrophobicContact CB-CG 3.63Å; A1391-E1698 WeakPolarHBondContact CB-OE2 3.49Å; A1391-E1698 VanDerWaalsContact N-CA 3.28Å; A1391-E1698 PolarHBondContact N-OE2 2.81Å; R1394-E1698 IonicContact NH1-OE2 3.66Å | ||
| 1699 | V | 53.3 | Low | 57.4 | Low | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | trans | -106.7 | 140.3 | 166.7 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | P1382 T1389 A1391 I1392 F1732 L1747 | P1382-V1699 WeakPolarHBondContact CB-O 3.48Å; P1382-V1699 WeakPolarHBondContact CG-O 3.44Å; T1389-V1699 WeakPolarHBondContact O-CG2 3.43Å; A1391-V1699 VanDerWaalsContact N-N 3.15Å; I1392-V1699 HydrophobicContact CB-CB 3.61Å; I1392-V1699 HydrophobicContact CB-CG1 4.41Å; I1392-V1699 HydrophobicContact CB-CG2 3.66Å; I1392-V1699 HydrophobicContact CD1-CB 3.61Å; I1392-V1699 HydrophobicContact CD1-CG1 3.41Å; I1392-V1699 VanDerWaalsContact CD1-CG1 3.41Å; I1392-V1699 HydrophobicContact CD1-CG2 4.13Å; I1392-V1699 HydrophobicContact CG1-CB 3.57Å; I1392-V1699 HydrophobicContact CG1-CG1 3.96Å; I1392-V1699 HydrophobicContact CG1-CG2 4.14Å; I1392-V1699 HydrophobicContact CG2-CG2 4.41Å; V1699-F1732 HydrophobicContact CG1-CD1 4.17Å; V1699-F1732 HydrophobicContact CG1-CD2 4.13Å; V1699-F1732 HydrophobicContact CG1-CE1 4Å; V1699-F1732 HydrophobicContact CG1-CE2 3.96Å; V1699-F1732 HydrophobicContact CG1-CG 4.25Å; V1699-F1732 HydrophobicContact CG1-CZ 3.91Å; V1699-L1747 HydrophobicContact CG1-CD2 4.19Å; V1699-L1747 HydrophobicContact CG2-CD2 4.07Å | ||
| 1700 | R | 52.2 | Low | 60.3 | Low | 30 Ų | 30 | 59 Ų | 59 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | trans | -120.5 | 77.4 | -171.9 | -63.4 | -154.5 | 165.2 | 156 | 63.5 | 112.4 | P1382 L1383 T1385 N1387 S1702 F1732 | P1382-R1700 HydrophobicContact CB-CG 4.27Å; P1382-R1700 WeakPolarHBondContact O-CA 3.33Å; P1382-R1700 WeakPolarHBondContact O-CB 3.45Å; P1382-R1700 VanDerWaalsContact O-CD 3.22Å; P1382-R1700 WeakPolarHBondContact O-CD 3.46Å; P1382-R1700 WeakPolarHBondContact O-CG 3.46Å; L1383-R1700 PolarHBondContact O-NH1 2.83Å; T1385-R1700 PolarHBondContact O-NH1 2.86Å; T1385-R1700 PolarHBondContact O-NH2 2.94Å; T1385-R1700 PolarHBondContact OG1-NH2 3.42Å; N1387-R1700 PolarHBondContact O-NH2 2.88Å; R1700-S1702 VanDerWaalsContact C-N 3.29Å; R1700-S1702 PolarHBondContact O-N 2.91Å; R1700-F1732 HydrophobicContact CB-CE2 3.87Å; R1700-F1732 WeakPolarHBondContact O-CD2 3.42Å; R1700-F1732 WeakPolarHBondContact O-CE2 3.36Å | ||
| 1701 | V | 57.5 | Low | 62.9 | Low | 37 Ų | 37 | 57 Ų | 57 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | trans | -58.6 | 84.4 | 170.9 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | P1382 I1392 Y1734 | P1382-V1701 VanDerWaalsContact CD-N 3.31Å; P1382-V1701 WeakPolarHBondContact CD-O 3.37Å; P1382-V1701 HydrophobicContact CG-CB 4.24Å; P1382-V1701 HydrophobicContact CG-CG2 4.24Å; I1392-V1701 HydrophobicContact CD1-CG2 3.95Å; I1392-V1701 HydrophobicContact CG1-CG2 4.33Å; V1701-Y1734 WeakPolarHBondContact CA-OH 3.33Å; V1701-Y1734 WeakPolarHBondContact CG2-OH 3.14Å | ||
| 1702 | S | 60.6 | Low | 65.3 | Low | 18 Ų | 18 | 50.2 Ų | 50.2 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | trans | -58.3 | 137.6 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111.2 | R1700 V1704 R1729 R1730 | R1700-S1702 VanDerWaalsContact C-N 3.29Å; R1700-S1702 PolarHBondContact O-N 2.91Å; S1702-V1704 PolarHBondContact O-N 3.48Å; S1702-V1704 PolarHBondContact OG-N 3.45Å; S1702-R1729 WeakPolarHBondContact O-CD 3.49Å; S1702-R1729 WeakPolarHBondContact O-CG 3.32Å; S1702-R1729 PolarHBondContact O-NH1 3.22Å; S1702-R1730 WeakPolarHBondContact CB-O 3.28Å | ||
| 1703 | P | 60.5 | Low | 67.1 | Low | 63 Ų | 63 | 49 Ų | 49 | 41% | 0.409 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -65.7 | -20.4 | 174.6 | 27.4 | -34.4 | 0 | 0 | 0 | 112.2 | I1705 | P1703-I1705 PolarHBondContact O-N 3.03Š|
| 1704 | V | 75 | Confident | 69.2 | Low | 85 Ų | 85 | 47.4 Ų | 47.4 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | trans | -87.1 | 101.3 | -179 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | S1702 S1706 | S1702-V1704 PolarHBondContact O-N 3.48Å; S1702-V1704 PolarHBondContact OG-N 3.45Å; V1704-S1706 PolarHBondContact O-N 3Å | ||
| 1705 | I | 83.1 | Confident | 70.4 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | trans | -72.7 | 113.1 | 167.7 | -61.2 | 172.6 | 0 | 0 | 0 | 108.3 | P1703 R1707 K1708 V1727 V1728 R1729 | P1703-I1705 PolarHBondContact O-N 3.03Å; I1705-R1707 WeakPolarHBondContact CG2-O 3.1Å; I1705-K1708 HydrophobicContact CG2-CB 4.13Å; I1705-V1727 HydrophobicContact CD1-CG1 4.16Å; I1705-V1727 HydrophobicContact CG1-CG1 4.1Å; I1705-V1727 HydrophobicContact CG2-CG1 3.92Å; I1705-V1728 CarbonylContact C-O 3.55Å; I1705-V1728 WeakPolarHBondContact CA-O 3.35Å; I1705-R1729 HydrophobicContact CG1-CG 3.87Å | ||
| 1706 | S | 86 | Confident | 71.5 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -78 | -34.9 | 178.6 | -59 | 0 | 0 | 0 | 0 | 112.5 | V1704 V1728 | V1704-S1706 PolarHBondContact O-N 3Å; S1706-V1728 PolarHBondContact N-O 3.03Å |
| 1707 | R | 90.2 | Very high | 72.1 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 149.8 | 167.8 | -169.4 | 166.4 | -171.3 | 85.8 | -13.8 | 109.8 | I1705 V1728 D1824 W1825 A1828 | I1705-R1707 WeakPolarHBondContact CG2-O 3.1Å; R1707-V1728 PolarHBondContact O-N 2.93Å; R1707-D1824 IonicContact CZ-OD2 3.59Å; R1707-D1824 VanDerWaalsContact NH1-CG 3.35Å; R1707-D1824 IonicContact NH1-OD2 3.78Å; R1707-D1824 PolarHBondContact NH1-OD2 3.45Å; R1707-D1824 IonicContact NH2-OD2 2.7Å; R1707-D1824 PolarHBondContact NH2-OD2 2.75Å; R1707-W1825 HydrophobicContact CB-CE3 4.43Å; R1707-W1825 HydrophobicContact CB-CZ3 4.36Å; R1707-W1825 HydrophobicContact CG-CD2 4.33Å; R1707-W1825 HydrophobicContact CG-CE3 4.15Å; R1707-W1825 HydrophobicContact CG-CH2 4.23Å; R1707-W1825 HydrophobicContact CG-CZ2 4.39Å; R1707-W1825 HydrophobicContact CG-CZ3 4.1Å; R1707-A1828 HydrophobicContact CB-CB 3.53Å |
| 1708 | K | 91.9 | Very high | 72.8 | Confident | 115 Ų | 115 | 51.4 Ų | 51.4 | 50% | 0.5 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.6 | 165.5 | 67 | 169 | -164.4 | 150.2 | 0 | 110 | I1705 W1725 A1726 V1727 E1739 | I1705-K1708 HydrophobicContact CG2-CB 4.13Å; K1708-W1725 HydrophobicContact CB-CZ2 4.38Å; K1708-W1725 HydrophobicContact CD-CH2 4.5Å; K1708-W1725 HydrophobicContact CD-CZ2 3.91Å; K1708-W1725 HydrophobicContact CG-CZ2 4.33Å; K1708-A1726 VanDerWaalsContact CA-O 3.31Å; K1708-A1726 WeakPolarHBondContact CA-O 3.15Å; K1708-V1727 HydrophobicContact CB-CG1 4.4Å; K1708-V1727 HydrophobicContact CB-CG2 4.19Å; K1708-E1739 IonicContact NZ-OE1 2.68Å; K1708-E1739 PolarHBondContact NZ-OE1 2.89Å; K1708-E1739 VanDerWaalsContact NZ-OE1 3.14Å |
| 1709 | G | 90.6 | Very high | 73.4 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | -178.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1726 | G1709-A1726 PolarHBondContact N-O 3.09Å; G1709-A1726 PolarHBondContact O-N 3.32Å; G1709-A1726 VanDerWaalsContact O-O 3.11Å |
| 1710 | Y | 90.5 | Very high | 74.3 | Confident | 61 Ų | 61 | 56 Ų | 56 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 139.9 | 170.6 | -73.2 | -82.6 | 0 | 0 | 0 | 110.3 | R1723 R1724 W1725 E1739 | Y1710-R1723 HydrophobicContact CD1-CG 3.61Å; Y1710-R1723 VanDerWaalsContact CD1-NE 3.26Å; Y1710-R1723 HydrophobicContact CE1-CG 4.33Å; Y1710-R1723 HydrophobicContact CG-CG 4.21Å; Y1710-R1723 VanDerWaalsContact CG-NE 3.34Å; Y1710-R1724 WeakPolarHBondContact CA-O 3.41Å; Y1710-W1725 HydrophobicContact CD1-CB 4.17Å; Y1710-W1725 AromaticContact CD1-CE3 3.97Å; Y1710-W1725 HydrophobicContact CD1-CE3 3.97Å; Y1710-W1725 AromaticContact CD2-CE3 3.49Å; Y1710-W1725 HydrophobicContact CD2-CE3 3.49Å; Y1710-W1725 VanDerWaalsContact CD2-CE3 3.49Å; Y1710-W1725 AromaticContact CD2-CZ3 3.6Å; Y1710-W1725 HydrophobicContact CD2-CZ3 3.6Å; Y1710-W1725 HydrophobicContact CE1-CB 3.97Å; Y1710-W1725 AromaticContact CE1-CE3 3.98Å; Y1710-W1725 HydrophobicContact CE1-CE3 3.98Å; Y1710-W1725 AromaticContact CE2-CE3 3.46Å; Y1710-W1725 HydrophobicContact CE2-CE3 3.46Å; Y1710-W1725 VanDerWaalsContact CE2-CE3 3.46Å; Y1710-W1725 AromaticContact CE2-CZ3 3.58Å; Y1710-W1725 HydrophobicContact CE2-CZ3 3.58Å; Y1710-W1725 AromaticContact CG-CE3 3.73Å; Y1710-W1725 HydrophobicContact CG-CE3 3.73Å; Y1710-W1725 HydrophobicContact CG-CZ3 4.26Å; Y1710-W1725 AromaticContact CZ-CE3 3.7Å; Y1710-E1739 PolarHBondContact OH-N 3.21Å |
| 1711 | L | 89.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 154 | 167.8 | -74.1 | 174.9 | 0 | 0 | 0 | 109.2 | R1723 R1724 A1726 I1812 T1814 W1825 | L1711-R1723 WeakPolarHBondContact O-CA 3.09Å; L1711-R1724 PolarHBondContact N-O 3.27Å; L1711-R1724 PolarHBondContact O-N 3.35Å; L1711-R1724 VanDerWaalsContact O-O 3.14Å; L1711-A1726 HydrophobicContact CB-CB 4.2Å; L1711-A1726 HydrophobicContact CD1-CB 3.61Å; L1711-A1726 HydrophobicContact CG-CB 3.9Å; L1711-I1812 HydrophobicContact CB-CG2 4.26Å; L1711-I1812 HydrophobicContact CD1-CG2 3.89Å; L1711-I1812 HydrophobicContact CD2-CG2 4.08Å; L1711-I1812 HydrophobicContact CG-CG2 4.31Å; L1711-T1814 HydrophobicContact CD2-CG2 4.11Å; L1711-W1825 HydrophobicContact CD1-CD2 4.27Å; L1711-W1825 HydrophobicContact CD1-CE3 3.88Å; L1711-W1825 HydrophobicContact CD1-CH2 4.06Å; L1711-W1825 HydrophobicContact CD1-CZ2 4.43Å; L1711-W1825 HydrophobicContact CD1-CZ3 3.77Å; L1711-W1825 HydrophobicContact CD2-CD2 3.79Å; L1711-W1825 HydrophobicContact CD2-CE3 4.26Å; L1711-W1825 HydrophobicContact CD2-CG 4.19Å; L1711-W1825 HydrophobicContact CD2-CH2 4.31Å; L1711-W1825 HydrophobicContact CD2-CZ2 3.84Å; L1711-W1825 HydrophobicContact CD2-CZ3 4.5Å; L1711-W1825 HydrophobicContact CG-CD2 4.26Å; L1711-W1825 HydrophobicContact CG-CE3 4.26Å; L1711-W1825 HydrophobicContact CG-CH2 3.83Å; L1711-W1825 HydrophobicContact CG-CZ2 3.82Å; L1711-W1825 HydrophobicContact CG-CZ3 4.06Å |
| 1712 | L | 87.5 | Confident | 76.8 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125.3 | 166.3 | -64.7 | 166.1 | 0 | 0 | 0 | 107.5 | W1721 R1723 I1812 Q1813 I1815 | L1712-W1721 HydrophobicContact CB-CD2 4.5Å; L1712-W1721 HydrophobicContact CB-CE3 3.77Å; L1712-W1721 HydrophobicContact CB-CZ3 4.38Å; L1712-W1721 HydrophobicContact CD2-CB 4.48Å; L1712-R1723 HydrophobicContact CD2-CB 3.98Å; L1712-I1812 WeakPolarHBondContact O-CA 3.04Å; L1712-Q1813 HydrophobicContact CB-CB 4.09Å; L1712-Q1813 WeakPolarHBondContact CB-O 3.44Å; L1712-Q1813 HydrophobicContact CD1-CB 4.46Å; L1712-Q1813 PolarHBondContact N-O 2.68Å; L1712-Q1813 PolarHBondContact O-N 3.26Å; L1712-I1815 HydrophobicContact CD1-CG1 4.18Å; L1712-I1815 HydrophobicContact CG-CD1 4.35Å; L1712-I1815 HydrophobicContact CG-CG1 3.94Å |
| 1713 | V | 85.5 | Confident | 78.1 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.5 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | E1715 L1722 R1724 L1735 | V1713-E1715 PolarHBondContact O-N 2.81Å; V1713-L1722 PolarHBondContact N-O 3.19Å; V1713-L1722 PolarHBondContact O-N 2.92Å; V1713-R1724 HydrophobicContact CB-CG 4.39Å; V1713-R1724 HydrophobicContact CG2-CB 4.4Å; V1713-R1724 HydrophobicContact CG2-CG 4.15Å; V1713-L1735 HydrophobicContact CG2-CD1 4.4Å |
| 1714 | L | 83.4 | Confident | 79.4 | Confident | 37 Ų | 37 | 64 Ų | 64 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125 | 177.3 | -171.4 | 68.1 | 0 | 0 | 0 | 109.8 | A1719 W1721 F1794 L1811 | L1714-A1719 WeakPolarHBondContact CD1-O 3.28Å; L1714-W1721 HydrophobicContact CB-CD2 4.44Å; L1714-W1721 HydrophobicContact CB-CE3 4.11Å; L1714-W1721 HydrophobicContact CB-CH2 4.32Å; L1714-W1721 HydrophobicContact CB-CZ3 4.04Å; L1714-W1721 HydrophobicContact CD1-CD2 4.16Å; L1714-W1721 HydrophobicContact CD1-CG 4.36Å; L1714-F1794 HydrophobicContact CD2-CE2 4.27Å; L1714-F1794 HydrophobicContact CD2-CZ 4.19Å; L1714-L1811 HydrophobicContact CB-CB 4.06Å; L1714-L1811 HydrophobicContact CD2-CB 4.23Å; L1714-L1811 HydrophobicContact CD2-CD2 3.98Å; L1714-L1811 PolarHBondContact N-O 3.47Å |
| 1715 | E | 68.6 | Low | 80.2 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 29% | 0.29 | 30% | 0.304 | S | S | . | . | trans | -93.7 | 116.7 | 179.4 | -178.9 | 173.5 | -104.6 | 0 | 0 | 111.6 | V1713 R1717 T1718 A1719 G1720 L1722 R1724 | V1713-E1715 PolarHBondContact O-N 2.81Å; E1715-R1717 PolarHBondContact O-N 2.81Å; E1715-T1718 WeakPolarHBondContact CB-OG1 3.35Å; E1715-T1718 PolarHBondContact O-N 2.9Å; E1715-T1718 WeakPolarHBondContact OE2-CG2 3.39Å; E1715-T1718 PolarHBondContact OE2-OG1 3.26Å; E1715-A1719 PolarHBondContact O-N 2.68Å; E1715-G1720 PolarHBondContact N-O 2.88Å; E1715-L1722 HydrophobicContact CB-CD1 3.95Å; E1715-L1722 HydrophobicContact CB-CG 4.16Å; E1715-L1722 HydrophobicContact CG-CD1 4.25Å; E1715-L1722 WeakPolarHBondContact OE1-CD1 3.4Å; E1715-R1724 IonicContact OE1-NH2 3.19Å; E1715-R1724 PolarHBondContact OE1-NH2 2.93Å | ||
| 1716 | E | 62.1 | Low | 80.5 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -25.8 | -176.6 | -62.7 | 168.6 | 158.7 | 0 | 0 | 114.8 | ||
| 1717 | R | 55.1 | Low | 80.8 | Confident | 124 Ų | 124 | 56.4 Ų | 56.4 | 47% | 0.468 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -24.2 | -175.4 | -64.9 | -168.9 | -175.1 | -175.6 | 4 | 115.4 | F1687 S1688 S1690 E1715 | F1687-R1717 PolarHBondContact O-NH1 2.99Å; F1687-R1717 VanDerWaalsContact O-NH1 3.15Å; S1688-R1717 VanDerWaalsContact O-CZ 3.28Å; S1688-R1717 PolarHBondContact O-NH1 2.82Å; S1688-R1717 PolarHBondContact O-NH2 2.87Å; S1688-R1717 PolarHBondContact OG-NH1 2.81Å; S1690-R1717 PolarHBondContact OG-NE 3.01Å; S1690-R1717 PolarHBondContact OG-NH2 2.87Å; E1715-R1717 PolarHBondContact O-N 2.81Å |
| 1718 | T | 58.7 | Low | 80.8 | Confident | 88 Ų | 88 | 53.4 Ų | 53.4 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -10.2 | -178.4 | 54 | 0 | 0 | 0 | 0 | 112.5 | E1715 G1720 | E1715-T1718 WeakPolarHBondContact CB-OG1 3.35Å; E1715-T1718 PolarHBondContact O-N 2.9Å; E1715-T1718 WeakPolarHBondContact OE2-CG2 3.39Å; E1715-T1718 PolarHBondContact OE2-OG1 3.26Å; T1718-G1720 PolarHBondContact O-N 3.42Å; T1718-G1720 PolarHBondContact OG1-N 3.4Å |
| 1719 | A | 60.2 | Low | 80.5 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 69% | 0.686 | 25% | 0.25 | S | C | * | . | trans | 53 | 16.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1714 E1715 | L1714-A1719 WeakPolarHBondContact CD1-O 3.28Å; E1715-A1719 PolarHBondContact O-N 2.68Å | ||
| 1720 | G | 70.7 | Confident | 80.1 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | trans | -93.5 | 142.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1715 T1718 L1722 | E1715-G1720 PolarHBondContact N-O 2.88Å; T1718-G1720 PolarHBondContact O-N 3.42Å; T1718-G1720 PolarHBondContact OG1-N 3.4Å; G1720-L1722 PolarHBondContact O-N 2.77Å | ||
| 1721 | W | 80.9 | Confident | 79.7 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 30% | 0.295 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 101.2 | 169 | -74.3 | 101.6 | 0 | 0 | 0 | 110 | L1712 L1714 M1800 L1811 Q1813 | L1712-W1721 HydrophobicContact CB-CD2 4.5Å; L1712-W1721 HydrophobicContact CB-CE3 3.77Å; L1712-W1721 HydrophobicContact CB-CZ3 4.38Å; L1712-W1721 HydrophobicContact CD2-CB 4.48Å; L1714-W1721 HydrophobicContact CB-CD2 4.44Å; L1714-W1721 HydrophobicContact CB-CE3 4.11Å; L1714-W1721 HydrophobicContact CB-CH2 4.32Å; L1714-W1721 HydrophobicContact CB-CZ3 4.04Å; L1714-W1721 HydrophobicContact CD1-CD2 4.16Å; L1714-W1721 HydrophobicContact CD1-CG 4.36Å; W1721-M1800 HydrophobicContact CH2-SD 3.82Å; W1721-M1800 HydrophobicContact CZ2-SD 3.79Å; W1721-L1811 HydrophobicContact CH2-CB 4.38Å; W1721-L1811 HydrophobicContact CH2-CD2 3.64Å; W1721-L1811 HydrophobicContact CH2-CG 3.8Å; W1721-L1811 HydrophobicContact CZ2-CD2 3.79Å; W1721-L1811 HydrophobicContact CZ2-CG 4.45Å; W1721-Q1813 HydrophobicContact CE3-CB 4.16Å; W1721-Q1813 HydrophobicContact CH2-CB 3.69Å; W1721-Q1813 HydrophobicContact CZ2-CB 4.4Å; W1721-Q1813 HydrophobicContact CZ3-CB 3.58Å |
| 1722 | L | 82.4 | Confident | 79.6 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120.5 | 176.3 | -67.2 | -172.7 | 0 | 0 | 0 | 110.9 | V1713 E1715 G1720 R1724 | V1713-L1722 PolarHBondContact N-O 3.19Å; V1713-L1722 PolarHBondContact O-N 2.92Å; E1715-L1722 HydrophobicContact CB-CD1 3.95Å; E1715-L1722 HydrophobicContact CB-CG 4.16Å; E1715-L1722 HydrophobicContact CG-CD1 4.25Å; E1715-L1722 WeakPolarHBondContact OE1-CD1 3.4Å; G1720-L1722 PolarHBondContact O-N 2.77Å; L1722-R1724 PolarHBondContact O-N 3.26Å |
| 1723 | R | 87.5 | Confident | 79.6 | Confident | 145 Ų | 145 | 51.6 Ų | 51.6 | 55% | 0.547 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 111.1 | 168 | -179 | 173.9 | 176.4 | 168.8 | 1 | 109.2 | Y1710 L1711 L1712 I1815 | Y1710-R1723 HydrophobicContact CD1-CG 3.61Å; Y1710-R1723 VanDerWaalsContact CD1-NE 3.26Å; Y1710-R1723 HydrophobicContact CE1-CG 4.33Å; Y1710-R1723 HydrophobicContact CG-CG 4.21Å; Y1710-R1723 VanDerWaalsContact CG-NE 3.34Å; L1711-R1723 WeakPolarHBondContact O-CA 3.09Å; L1712-R1723 HydrophobicContact CD2-CB 3.98Å; R1723-I1815 HydrophobicContact CG-CD1 4.33Å |
| 1724 | R | 87.9 | Confident | 79.8 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.7 | 173.6 | -57.5 | -62.4 | -175 | 152.5 | 5.2 | 109.4 | Y1710 L1711 V1713 E1715 L1722 L1735 Y1736 N1737 | Y1710-R1724 WeakPolarHBondContact CA-O 3.41Å; L1711-R1724 PolarHBondContact N-O 3.27Å; L1711-R1724 PolarHBondContact O-N 3.35Å; L1711-R1724 VanDerWaalsContact O-O 3.14Å; V1713-R1724 HydrophobicContact CB-CG 4.39Å; V1713-R1724 HydrophobicContact CG2-CB 4.4Å; V1713-R1724 HydrophobicContact CG2-CG 4.15Å; E1715-R1724 IonicContact OE1-NH2 3.19Å; E1715-R1724 PolarHBondContact OE1-NH2 2.93Å; L1722-R1724 PolarHBondContact O-N 3.26Å; R1724-L1735 HydrophobicContact CB-CB 4.5Å; R1724-L1735 HydrophobicContact CB-CD2 4.29Å; R1724-Y1736 CarbonylContact C-O 3.56Å; R1724-Y1736 WeakPolarHBondContact CA-O 3.45Å; R1724-Y1736 WeakPolarHBondContact CB-O 3.4Å; R1724-N1737 PolarHBondContact NH1-OD1 2.89Å |
| 1725 | W | 91.6 | Very high | 80 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 117.9 | 167 | 178.6 | -109.2 | 0 | 0 | 0 | 108.4 | K1708 Y1710 Y1736 E1739 | K1708-W1725 HydrophobicContact CB-CZ2 4.38Å; K1708-W1725 HydrophobicContact CD-CH2 4.5Å; K1708-W1725 HydrophobicContact CD-CZ2 3.91Å; K1708-W1725 HydrophobicContact CG-CZ2 4.33Å; Y1710-W1725 HydrophobicContact CD1-CB 4.17Å; Y1710-W1725 AromaticContact CD1-CE3 3.97Å; Y1710-W1725 HydrophobicContact CD1-CE3 3.97Å; Y1710-W1725 AromaticContact CD2-CE3 3.49Å; Y1710-W1725 HydrophobicContact CD2-CE3 3.49Å; Y1710-W1725 VanDerWaalsContact CD2-CE3 3.49Å; Y1710-W1725 AromaticContact CD2-CZ3 3.6Å; Y1710-W1725 HydrophobicContact CD2-CZ3 3.6Å; Y1710-W1725 HydrophobicContact CE1-CB 3.97Å; Y1710-W1725 AromaticContact CE1-CE3 3.98Å; Y1710-W1725 HydrophobicContact CE1-CE3 3.98Å; Y1710-W1725 AromaticContact CE2-CE3 3.46Å; Y1710-W1725 HydrophobicContact CE2-CE3 3.46Å; Y1710-W1725 VanDerWaalsContact CE2-CE3 3.46Å; Y1710-W1725 AromaticContact CE2-CZ3 3.58Å; Y1710-W1725 HydrophobicContact CE2-CZ3 3.58Å; Y1710-W1725 AromaticContact CG-CE3 3.73Å; Y1710-W1725 HydrophobicContact CG-CE3 3.73Å; Y1710-W1725 HydrophobicContact CG-CZ3 4.26Å; Y1710-W1725 AromaticContact CZ-CE3 3.7Å; W1725-Y1736 AromaticContact CD1-CD2 3.95Å; W1725-Y1736 PolarHBondContact N-O 2.9Å; W1725-Y1736 PolarHBondContact O-N 3.21Å; W1725-E1739 HydrophobicContact CD2-CB 3.96Å; W1725-E1739 HydrophobicContact CD2-CG 4.42Å; W1725-E1739 HydrophobicContact CE3-CB 4.33Å; W1725-E1739 HydrophobicContact CG-CB 4.32Å; W1725-E1739 HydrophobicContact CH2-CB 4.39Å; W1725-E1739 HydrophobicContact CH2-CG 4.19Å; W1725-E1739 HydrophobicContact CZ2-CB 4.03Å; W1725-E1739 HydrophobicContact CZ2-CG 3.62Å; W1725-E1739 VanDerWaalsContact CZ2-OE1 3.23Å; W1725-E1739 WeakPolarHBondContact CZ2-OE1 3.32Å |
| 1726 | A | 90.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111 | K1708 G1709 L1711 L1733 Y1734 L1735 W1825 | K1708-A1726 VanDerWaalsContact CA-O 3.31Å; K1708-A1726 WeakPolarHBondContact CA-O 3.15Å; G1709-A1726 PolarHBondContact N-O 3.09Å; G1709-A1726 PolarHBondContact O-N 3.32Å; G1709-A1726 VanDerWaalsContact O-O 3.11Å; L1711-A1726 HydrophobicContact CB-CB 4.2Å; L1711-A1726 HydrophobicContact CD1-CB 3.61Å; L1711-A1726 HydrophobicContact CG-CB 3.9Å; A1726-L1733 HydrophobicContact CB-CD1 3.99Å; A1726-Y1734 WeakPolarHBondContact CA-O 3.4Å; A1726-L1735 HydrophobicContact CB-CD2 3.85Å; A1726-W1825 HydrophobicContact CB-CH2 3.88Å; A1726-W1825 HydrophobicContact CB-CZ3 4.03Å |
| 1727 | V | 90.3 | Very high | 81.9 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 114.5 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | I1705 K1708 R1729 Y1734 Y1736 | I1705-V1727 HydrophobicContact CD1-CG1 4.16Å; I1705-V1727 HydrophobicContact CG1-CG1 4.1Å; I1705-V1727 HydrophobicContact CG2-CG1 3.92Å; K1708-V1727 HydrophobicContact CB-CG1 4.4Å; K1708-V1727 HydrophobicContact CB-CG2 4.19Å; V1727-R1729 HydrophobicContact CG1-CG 4.27Å; V1727-Y1734 PolarHBondContact N-O 2.6Å; V1727-Y1734 PolarHBondContact O-N 2.97Å; V1727-Y1736 HydrophobicContact CB-CE2 4.28Å; V1727-Y1736 HydrophobicContact CG2-CD2 4.27Å; V1727-Y1736 HydrophobicContact CG2-CE2 3.86Å |
| 1728 | V | 91.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.3 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | I1705 S1706 R1707 R1730 L1733 L1750 W1825 A1828 L1829 | I1705-V1728 CarbonylContact C-O 3.55Å; I1705-V1728 WeakPolarHBondContact CA-O 3.35Å; S1706-V1728 PolarHBondContact N-O 3.03Å; R1707-V1728 PolarHBondContact O-N 2.93Å; V1728-R1730 HydrophobicContact CG1-CG 4.32Å; V1728-L1733 HydrophobicContact CG2-CD1 4.05Å; V1728-L1750 HydrophobicContact CG1-CD1 3.97Å; V1728-W1825 HydrophobicContact CG2-CE3 4.32Å; V1728-W1825 HydrophobicContact CG2-CZ3 4.07Å; V1728-A1828 HydrophobicContact CB-CB 4.23Å; V1728-A1828 HydrophobicContact CG1-CB 4.21Å; V1728-A1828 WeakPolarHBondContact CG1-O 3.28Å; V1728-A1828 HydrophobicContact CG2-CB 4.16Å; V1728-L1829 HydrophobicContact CG1-CD2 4.14Å; V1728-L1829 HydrophobicContact CG2-CD2 3.65Å; V1728-L1829 HydrophobicContact CG2-CG 4.28Å |
| 1729 | R | 86.5 | Confident | 84.6 | Confident | 54 Ų | 54 | 45 Ų | 45 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 88.7 | 172.4 | -69.9 | 169.7 | 178.7 | -102.4 | 14.2 | 106.6 | S1702 I1705 V1727 F1732 Y1734 | S1702-R1729 WeakPolarHBondContact O-CD 3.49Å; S1702-R1729 WeakPolarHBondContact O-CG 3.32Å; S1702-R1729 PolarHBondContact O-NH1 3.22Å; I1705-R1729 HydrophobicContact CG1-CG 3.87Å; V1727-R1729 HydrophobicContact CG1-CG 4.27Å; R1729-F1732 CarbonylContact C-O 3.34Å; R1729-F1732 PolarHBondContact N-O 2.95Å; R1729-F1732 PolarHBondContact O-N 3.15Å; R1729-Y1734 HydrophobicContact CB-CD2 4.39Å; R1729-Y1734 HydrophobicContact CB-CE2 4Å; R1729-Y1734 HydrophobicContact CG-CE2 4.47Å |
| 1730 | R | 81.9 | Confident | 85.5 | Confident | 93 Ų | 93 | 51 Ų | 51 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 135.3 | -170.8 | -61.6 | -171.8 | -154.1 | 119 | 4.2 | 111.1 | S1702 V1728 Y1827 A1828 | S1702-R1730 WeakPolarHBondContact CB-O 3.28Å; V1728-R1730 HydrophobicContact CG1-CG 4.32Å; R1730-Y1827 PolarHBondContact NH2-O 3.47Å; R1730-A1828 PolarHBondContact NE-O 3.13Å |
| 1731 | P | 81.3 | Confident | 85.8 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 25% | 0.253 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.3 | 33.5 | 10.2 | 36.9 | -34.5 | 0 | 0 | 0 | 115.2 | L1750 T1751 | P1731-L1750 WeakPolarHBondContact O-CA 3.39Å; P1731-L1750 VanDerWaalsContact O-CB 3.29Å; P1731-L1750 WeakPolarHBondContact O-CB 3.35Å; P1731-L1750 PolarHBondContact O-N 3.46Å; P1731-T1751 HydrophobicContact CB-CG2 4.29Å; P1731-T1751 WeakPolarHBondContact CB-OG1 3.48Å |
| 1732 | F | 86.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 150.8 | 179.8 | -56.6 | -83.6 | 0 | 0 | 0 | 115 | P1388 V1699 R1700 R1729 Y1734 L1747 I1748 N1749 | P1388-F1732 VanDerWaalsContact O-CZ 3.3Å; P1388-F1732 WeakPolarHBondContact O-CZ 3.42Å; V1699-F1732 HydrophobicContact CG1-CD1 4.17Å; V1699-F1732 HydrophobicContact CG1-CD2 4.13Å; V1699-F1732 HydrophobicContact CG1-CE1 4Å; V1699-F1732 HydrophobicContact CG1-CE2 3.96Å; V1699-F1732 HydrophobicContact CG1-CG 4.25Å; V1699-F1732 HydrophobicContact CG1-CZ 3.91Å; R1700-F1732 HydrophobicContact CB-CE2 3.87Å; R1700-F1732 WeakPolarHBondContact O-CD2 3.42Å; R1700-F1732 WeakPolarHBondContact O-CE2 3.36Å; R1729-F1732 CarbonylContact C-O 3.34Å; R1729-F1732 PolarHBondContact N-O 2.95Å; R1729-F1732 PolarHBondContact O-N 3.15Å; F1732-Y1734 HydrophobicContact CB-CD2 4.19Å; F1732-Y1734 HydrophobicContact CB-CE2 3.54Å; F1732-Y1734 HydrophobicContact CG-CE2 4.45Å; F1732-L1747 HydrophobicContact CB-CD1 3.96Å; F1732-L1747 HydrophobicContact CD1-CD1 3.97Å; F1732-L1747 HydrophobicContact CG-CD1 4.18Å; F1732-I1748 WeakPolarHBondContact CA-O 3.17Å; F1732-N1749 HydrophobicContact CD1-CB 4.18Å; F1732-N1749 HydrophobicContact CE1-CB 3.9Å |
| 1733 | L | 88.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.1 | 165 | 164.9 | 61.9 | 0 | 0 | 0 | 109 | A1726 V1728 L1735 L1747 I1748 L1750 L1803 I1812 L1829 | A1726-L1733 HydrophobicContact CB-CD1 3.99Å; V1728-L1733 HydrophobicContact CG2-CD1 4.05Å; L1733-L1735 HydrophobicContact CD1-CD2 4.02Å; L1733-L1735 HydrophobicContact CD2-CD2 4.5Å; L1733-L1735 HydrophobicContact CG-CD2 4.23Å; L1733-L1735 HydrophobicContact CG-CG 4.46Å; L1733-L1747 WeakPolarHBondContact O-CA 3.38Å; L1733-I1748 HydrophobicContact CB-CB 4.39Å; L1733-I1748 HydrophobicContact CD2-CD1 3.9Å; L1733-I1748 HydrophobicContact CG-CD1 4.2Å; L1733-I1748 PolarHBondContact N-O 3.2Å; L1733-I1748 PolarHBondContact O-N 3Å; L1733-L1750 HydrophobicContact CB-CD1 4.32Å; L1733-L1750 HydrophobicContact CB-CD2 4.05Å; L1733-L1750 HydrophobicContact CB-CG 4.36Å; L1733-L1803 HydrophobicContact CD2-CD2 3.8Å; L1733-I1812 HydrophobicContact CD2-CD1 4.46Å; L1733-L1829 HydrophobicContact CB-CD2 4.11Å; L1733-L1829 HydrophobicContact CD1-CD2 4.45Å; L1733-L1829 HydrophobicContact CD2-CD2 4.03Å; L1733-L1829 HydrophobicContact CG-CD2 4.42Å |
| 1734 | Y | 88.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136 | 175.4 | -62.5 | -99.3 | 0 | 0 | 0 | 110 | I1392 V1701 A1726 V1727 R1729 F1732 E1744 L1747 | I1392-Y1734 HydrophobicContact CD1-CE1 4.05Å; V1701-Y1734 WeakPolarHBondContact CA-OH 3.33Å; V1701-Y1734 WeakPolarHBondContact CG2-OH 3.14Å; A1726-Y1734 WeakPolarHBondContact CA-O 3.4Å; V1727-Y1734 PolarHBondContact N-O 2.6Å; V1727-Y1734 PolarHBondContact O-N 2.97Å; R1729-Y1734 HydrophobicContact CB-CD2 4.39Å; R1729-Y1734 HydrophobicContact CB-CE2 4Å; R1729-Y1734 HydrophobicContact CG-CE2 4.47Å; F1732-Y1734 HydrophobicContact CB-CD2 4.19Å; F1732-Y1734 HydrophobicContact CB-CE2 3.54Å; F1732-Y1734 HydrophobicContact CG-CE2 4.45Å; Y1734-E1744 HydrophobicContact CD1-CG 4.46Å; Y1734-E1744 WeakPolarHBondContact CD1-OE1 3.44Å; Y1734-L1747 HydrophobicContact CD1-CD1 3.76Å; Y1734-L1747 HydrophobicContact CE1-CD1 3.49Å; Y1734-L1747 VanDerWaalsContact CE1-CD1 3.49Å; Y1734-L1747 HydrophobicContact CE2-CD1 4.27Å; Y1734-L1747 HydrophobicContact CG-CD1 4.24Å |
| 1735 | L | 88.7 | Confident | 83 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.2 | 177.8 | -60.5 | 177.1 | 0 | 0 | 0 | 110.5 | L1692 V1713 R1724 A1726 L1733 R1745 G1746 I1748 | L1692-L1735 HydrophobicContact CD1-CD1 4.38Å; V1713-L1735 HydrophobicContact CG2-CD1 4.4Å; R1724-L1735 HydrophobicContact CB-CB 4.5Å; R1724-L1735 HydrophobicContact CB-CD2 4.29Å; A1726-L1735 HydrophobicContact CB-CD2 3.85Å; L1733-L1735 HydrophobicContact CD1-CD2 4.02Å; L1733-L1735 HydrophobicContact CD2-CD2 4.5Å; L1733-L1735 HydrophobicContact CG-CD2 4.23Å; L1733-L1735 HydrophobicContact CG-CG 4.46Å; L1735-R1745 WeakPolarHBondContact O-CA 3.05Å; L1735-R1745 WeakPolarHBondContact O-CB 3.32Å; L1735-R1745 PolarHBondContact O-N 3.42Å; L1735-G1746 PolarHBondContact N-O 3.47Å; L1735-G1746 PolarHBondContact O-N 3.29Å; L1735-G1746 VanDerWaalsContact O-N 3.14Å; L1735-I1748 HydrophobicContact CD1-CD1 3.79Å; L1735-I1748 HydrophobicContact CG-CD1 4.38Å |
| 1736 | Y | 87 | Confident | 82.1 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 14% | 0.141 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 163.9 | 177.1 | -51.7 | -98.5 | 0 | 0 | 0 | 109.4 | R1724 W1725 V1727 D1741 E1744 | R1724-Y1736 CarbonylContact C-O 3.56Å; R1724-Y1736 WeakPolarHBondContact CA-O 3.45Å; R1724-Y1736 WeakPolarHBondContact CB-O 3.4Å; W1725-Y1736 AromaticContact CD1-CD2 3.95Å; W1725-Y1736 PolarHBondContact N-O 2.9Å; W1725-Y1736 PolarHBondContact O-N 3.21Å; V1727-Y1736 HydrophobicContact CB-CE2 4.28Å; V1727-Y1736 HydrophobicContact CG2-CD2 4.27Å; V1727-Y1736 HydrophobicContact CG2-CE2 3.86Å; Y1736-D1741 WeakPolarHBondContact CD1-O 3.48Å; Y1736-E1744 HydrophobicContact CD1-CG 3.98Å; Y1736-E1744 HydrophobicContact CE1-CB 4.36Å; Y1736-E1744 HydrophobicContact CE1-CG 3.24Å; Y1736-E1744 PolarHBondContact OH-OE1 3.03Å |
| 1737 | N | 82.7 | Confident | 81.7 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -66.9 | -43.7 | 174.3 | -73.1 | -14.7 | 0 | 0 | 0 | 111.9 | R1724 D1741 R1745 | R1724-N1737 PolarHBondContact NH1-OD1 2.89Å; N1737-D1741 HydrophobicContact CB-CB 4.22Å; N1737-D1741 WeakPolarHBondContact CB-OD2 3.42Å; N1737-D1741 PolarHBondContact N-OD2 3.42Å; N1737-R1745 PolarHBondContact ND2-NH2 3.03Å |
| 1738 | H | 87.6 | Confident | 81.4 | Confident | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -156.2 | 167.5 | -178.2 | 51.1 | 49.2 | 0 | 0 | 0 | 110.7 | R1740 D1741 | H1738-R1740 VanDerWaalsContact ND1-C 3.35Å; H1738-R1740 PolarHBondContact ND1-N 3.25Å; H1738-R1740 PolarHBondContact O-N 2.92Å; H1738-D1741 PolarHBondContact CE1-N 3.28Å; H1738-D1741 WeakPolarHBondContact ND1-CB 3.13Å; H1738-D1741 PolarHBondContact ND1-N 3.42Å; H1738-D1741 VanDerWaalsContact O-CB 3.28Å; H1738-D1741 WeakPolarHBondContact O-CB 3.33Å; H1738-D1741 PolarHBondContact O-N 3.19Å |
| 1739 | E | 84 | Confident | 80.9 | Confident | 108 Ų | 108 | 57.7 Ų | 57.7 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.6 | -175.7 | -174.6 | 170.1 | -144.4 | 0 | 0 | 114.4 | K1708 Y1710 W1725 | K1708-E1739 IonicContact NZ-OE1 2.68Å; K1708-E1739 PolarHBondContact NZ-OE1 2.89Å; K1708-E1739 VanDerWaalsContact NZ-OE1 3.14Å; Y1710-E1739 PolarHBondContact OH-N 3.21Å; W1725-E1739 HydrophobicContact CD2-CB 3.96Å; W1725-E1739 HydrophobicContact CD2-CG 4.42Å; W1725-E1739 HydrophobicContact CE3-CB 4.33Å; W1725-E1739 HydrophobicContact CG-CB 4.32Å; W1725-E1739 HydrophobicContact CH2-CB 4.39Å; W1725-E1739 HydrophobicContact CH2-CG 4.19Å; W1725-E1739 HydrophobicContact CZ2-CB 4.03Å; W1725-E1739 HydrophobicContact CZ2-CG 3.62Å; W1725-E1739 VanDerWaalsContact CZ2-OE1 3.23Å; W1725-E1739 WeakPolarHBondContact CZ2-OE1 3.32Å |
| 1740 | R | 79.6 | Confident | 80.8 | Confident | 208 Ų | 208 | 56.1 Ų | 56.1 | 79% | 0.785 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 13.1 | 175.7 | -56.9 | -175 | -175.1 | 179.1 | 2 | 115 | H1738 F1742 | H1738-R1740 VanDerWaalsContact ND1-C 3.35Å; H1738-R1740 PolarHBondContact ND1-N 3.25Å; H1738-R1740 PolarHBondContact O-N 2.92Å; R1740-F1742 PolarHBondContact O-N 3.13Å |
| 1741 | D | 76.7 | Confident | 80.7 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | trans | -87.5 | 110.5 | -179.4 | -176.6 | 18.3 | 0 | 0 | 0 | 108.9 | Y1736 N1737 H1738 I1743 R1745 | Y1736-D1741 WeakPolarHBondContact CD1-O 3.48Å; N1737-D1741 HydrophobicContact CB-CB 4.22Å; N1737-D1741 WeakPolarHBondContact CB-OD2 3.42Å; N1737-D1741 PolarHBondContact N-OD2 3.42Å; H1738-D1741 PolarHBondContact CE1-N 3.28Å; H1738-D1741 WeakPolarHBondContact ND1-CB 3.13Å; H1738-D1741 PolarHBondContact ND1-N 3.42Å; H1738-D1741 VanDerWaalsContact O-CB 3.28Å; H1738-D1741 WeakPolarHBondContact O-CB 3.33Å; H1738-D1741 PolarHBondContact O-N 3.19Å; D1741-I1743 PolarHBondContact O-N 2.95Å; D1741-I1743 PolarHBondContact OD1-N 3.3Å; D1741-R1745 VanDerWaalsContact CG-NH2 3.34Å; D1741-R1745 IonicContact OD1-CZ 2.71Å; D1741-R1745 IonicContact OD1-NE 3.52Å; D1741-R1745 IonicContact OD1-NH2 2.63Å; D1741-R1745 PolarHBondContact OD1-NH2 3.09Å; D1741-R1745 IonicContact OD2-CZ 2.75Å; D1741-R1745 IonicContact OD2-NE 2.76Å; D1741-R1745 PolarHBondContact OD2-NE 2.98Å; D1741-R1745 IonicContact OD2-NH2 3.72Å; D1741-R1745 PolarHBondContact OD2-NH2 2.84Å | ||
| 1742 | F | 69 | Low | 80.4 | Confident | 200 Ų | 200 | 57.5 Ų | 57.5 | 88% | 0.877 | 27% | 0.27 | S | S | * | . | trans | -76.6 | -4.3 | -178.4 | -47.5 | -71.6 | 0 | 0 | 0 | 113.1 | R1740 | R1740-F1742 PolarHBondContact O-N 3.13Š| ||
| 1743 | I | 64.2 | Low | 80 | Confident | 102 Ų | 102 | 58 Ų | 58 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -108.3 | 123 | -176.5 | -56.5 | 175.5 | 0 | 0 | 0 | 109.2 | D1741 R1745 | D1741-I1743 PolarHBondContact O-N 2.95Å; D1741-I1743 PolarHBondContact OD1-N 3.3Å; I1743-R1745 PolarHBondContact O-NE 3.09Å |
| 1744 | E | 69.5 | Low | 79.7 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | trans | -70.2 | 130.1 | 173.1 | -72.6 | 178.1 | 178.4 | 0 | 0 | 110.4 | Y1734 Y1736 | Y1734-E1744 HydrophobicContact CD1-CG 4.46Å; Y1734-E1744 WeakPolarHBondContact CD1-OE1 3.44Å; Y1736-E1744 HydrophobicContact CD1-CG 3.98Å; Y1736-E1744 HydrophobicContact CE1-CB 4.36Å; Y1736-E1744 HydrophobicContact CE1-CG 3.24Å; Y1736-E1744 PolarHBondContact OH-OE1 3.03Å | ||
| 1745 | R | 76.8 | Confident | 79.4 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | trans | -108.9 | -21.6 | -172.9 | -51.3 | -61.6 | -179.4 | 154 | -2.1 | 112.9 | L1735 N1737 D1741 I1743 | L1735-R1745 WeakPolarHBondContact O-CA 3.05Å; L1735-R1745 WeakPolarHBondContact O-CB 3.32Å; L1735-R1745 PolarHBondContact O-N 3.42Å; N1737-R1745 PolarHBondContact ND2-NH2 3.03Å; D1741-R1745 VanDerWaalsContact CG-NH2 3.34Å; D1741-R1745 IonicContact OD1-CZ 2.71Å; D1741-R1745 IonicContact OD1-NE 3.52Å; D1741-R1745 IonicContact OD1-NH2 2.63Å; D1741-R1745 PolarHBondContact OD1-NH2 3.09Å; D1741-R1745 IonicContact OD2-CZ 2.75Å; D1741-R1745 IonicContact OD2-NE 2.76Å; D1741-R1745 PolarHBondContact OD2-NE 2.98Å; D1741-R1745 IonicContact OD2-NH2 3.72Å; D1741-R1745 PolarHBondContact OD2-NH2 2.84Å; I1743-R1745 PolarHBondContact O-NE 3.09Å | ||
| 1746 | G | 73.5 | Confident | 79 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 148.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1692 L1735 | L1692-G1746 CarbonylContact O-C 3.52Å; L1692-G1746 WeakPolarHBondContact O-CA 3.44Å; L1735-G1746 PolarHBondContact N-O 3.47Å; L1735-G1746 PolarHBondContact O-N 3.29Å; L1735-G1746 VanDerWaalsContact O-N 3.14Å |
| 1747 | L | 81.2 | Confident | 78.4 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 106.6 | -175.1 | 176.6 | 59 | 0 | 0 | 0 | 108.4 | I1392 L1692 V1699 F1732 L1733 Y1734 | I1392-L1747 HydrophobicContact CD1-CD2 4.09Å; L1692-L1747 CarbonylContact O-C 3.51Å; L1692-L1747 PolarHBondContact O-N 2.89Å; V1699-L1747 HydrophobicContact CG1-CD2 4.19Å; V1699-L1747 HydrophobicContact CG2-CD2 4.07Å; F1732-L1747 HydrophobicContact CB-CD1 3.96Å; F1732-L1747 HydrophobicContact CD1-CD1 3.97Å; F1732-L1747 HydrophobicContact CG-CD1 4.18Å; L1733-L1747 WeakPolarHBondContact O-CA 3.38Å; Y1734-L1747 HydrophobicContact CD1-CD1 3.76Å; Y1734-L1747 HydrophobicContact CE1-CD1 3.49Å; Y1734-L1747 VanDerWaalsContact CE1-CD1 3.49Å; Y1734-L1747 HydrophobicContact CE2-CD1 4.27Å; Y1734-L1747 HydrophobicContact CG-CD1 4.24Å |
| 1748 | I | 83.7 | Confident | 77.8 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.4 | -177.9 | -58.8 | 125.6 | 0 | 0 | 0 | 109.7 | F1732 L1733 L1735 L1750 L1803 T1805 L1810 | F1732-I1748 WeakPolarHBondContact CA-O 3.17Å; L1733-I1748 HydrophobicContact CB-CB 4.39Å; L1733-I1748 HydrophobicContact CD2-CD1 3.9Å; L1733-I1748 HydrophobicContact CG-CD1 4.2Å; L1733-I1748 PolarHBondContact N-O 3.2Å; L1733-I1748 PolarHBondContact O-N 3Å; L1735-I1748 HydrophobicContact CD1-CD1 3.79Å; L1735-I1748 HydrophobicContact CG-CD1 4.38Å; I1748-L1750 PolarHBondContact O-N 2.87Å; I1748-L1803 HydrophobicContact CB-CD2 4.3Å; I1748-L1803 HydrophobicContact CD1-CD2 4.24Å; I1748-L1803 HydrophobicContact CG2-CD2 3.72Å; I1748-L1803 HydrophobicContact CG2-CG 4.23Å; I1748-T1805 HydrophobicContact CG2-CG2 3.66Å; I1748-L1810 HydrophobicContact CD1-CD1 3.54Å; I1748-L1810 HydrophobicContact CG1-CD1 3.85Å |
| 1749 | N | 80.1 | Confident | 76.5 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 113.5 | 174.6 | -178.1 | -24 | 0 | 0 | 0 | 109.6 | T1389 F1732 T1751 T1752 S1753 | T1389-N1749 VanDerWaalsContact CG2-ND2 3.28Å; T1389-N1749 WeakPolarHBondContact CG2-ND2 3.32Å; F1732-N1749 HydrophobicContact CD1-CB 4.18Å; F1732-N1749 HydrophobicContact CE1-CB 3.9Å; N1749-T1751 VanDerWaalsContact C-N 3.33Å; N1749-T1751 WeakPolarHBondContact OD1-CA 3.32Å; N1749-T1751 WeakPolarHBondContact OD1-CB 3.49Å; N1749-T1751 PolarHBondContact OD1-N 3.11Å; N1749-T1751 PolarHBondContact OD1-OG1 2.86Å; N1749-T1752 WeakPolarHBondContact CB-OG1 3.43Å; N1749-T1752 PolarHBondContact ND2-OG1 3.29Å; N1749-T1752 CarbonylContact O-C 3.59Å; N1749-T1752 PolarHBondContact O-N 3.43Å; N1749-T1752 PolarHBondContact OD1-N 3.49Å; N1749-T1752 VanDerWaalsContact OD1-N 3.16Å; N1749-S1753 WeakPolarHBondContact O-CB 3.23Å; N1749-S1753 PolarHBondContact O-N 3.43Å; N1749-S1753 PolarHBondContact O-OG 2.77Å |
| 1750 | L | 84.9 | Confident | 75.4 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -81.1 | -10.5 | -178.1 | -55.6 | 174 | 0 | 0 | 0 | 113.2 | V1728 P1731 L1733 I1748 S1753 L1803 L1829 | V1728-L1750 HydrophobicContact CG1-CD1 3.97Å; P1731-L1750 WeakPolarHBondContact O-CA 3.39Å; P1731-L1750 VanDerWaalsContact O-CB 3.29Å; P1731-L1750 WeakPolarHBondContact O-CB 3.35Å; P1731-L1750 PolarHBondContact O-N 3.46Å; L1733-L1750 HydrophobicContact CB-CD1 4.32Å; L1733-L1750 HydrophobicContact CB-CD2 4.05Å; L1733-L1750 HydrophobicContact CB-CG 4.36Å; I1748-L1750 PolarHBondContact O-N 2.87Å; L1750-S1753 WeakPolarHBondContact CA-OG 3.19Å; L1750-L1803 HydrophobicContact CD2-CD1 4.21Å; L1750-L1803 HydrophobicContact CD2-CD2 4.44Å; L1750-L1829 HydrophobicContact CD1-CD2 3.86Å; L1750-L1829 HydrophobicContact CD2-CD2 3.83Å |
| 1751 | T | 79.5 | Confident | 74.3 | Confident | 98 Ų | 98 | 56.9 Ų | 56.9 | 60% | 0.601 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -81.5 | -27.8 | 167.9 | 10.7 | 0 | 0 | 0 | 0 | 112.4 | P1731 N1749 | P1731-T1751 HydrophobicContact CB-CG2 4.29Å; P1731-T1751 WeakPolarHBondContact CB-OG1 3.48Å; N1749-T1751 VanDerWaalsContact C-N 3.33Å; N1749-T1751 WeakPolarHBondContact OD1-CA 3.32Å; N1749-T1751 WeakPolarHBondContact OD1-CB 3.49Å; N1749-T1751 PolarHBondContact OD1-N 3.11Å; N1749-T1751 PolarHBondContact OD1-OG1 2.86Å |
| 1752 | T | 76.6 | Confident | 73 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -111.7 | 26.6 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | N1749 N1806 | N1749-T1752 WeakPolarHBondContact CB-OG1 3.43Å; N1749-T1752 PolarHBondContact ND2-OG1 3.29Å; N1749-T1752 CarbonylContact O-C 3.59Å; N1749-T1752 PolarHBondContact O-N 3.43Å; N1749-T1752 PolarHBondContact OD1-N 3.49Å; N1749-T1752 VanDerWaalsContact OD1-N 3.16Å; T1752-N1806 PolarHBondContact O-OD1 2.69Å |
| 1753 | S | 78.6 | Confident | 72 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.5 | 170.3 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | N1749 L1750 I1804 | N1749-S1753 WeakPolarHBondContact O-CB 3.23Å; N1749-S1753 PolarHBondContact O-N 3.43Å; N1749-S1753 PolarHBondContact O-OG 2.77Å; L1750-S1753 WeakPolarHBondContact CA-OG 3.19Å; S1753-I1804 CarbonylContact C-O 3.57Å; S1753-I1804 WeakPolarHBondContact CA-O 3.29Å; S1753-I1804 WeakPolarHBondContact CB-O 3.37Å |
| 1754 | Q | 80.9 | Confident | 71.1 | Confident | 134 Ų | 134 | 50.6 Ų | 50.6 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 137.9 | 177.4 | -56.4 | -168.6 | 15.9 | 0 | 0 | 109.7 | I1804 | Q1754-I1804 PolarHBondContact N-O 2.94Å; Q1754-I1804 PolarHBondContact O-N 3.5Å |
| 1755 | I | 82.9 | Confident | 69.7 | Low | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.7 | 172.4 | -53.6 | 180 | 0 | 0 | 0 | 108.6 | F1801 T1802 L1803 L1826 L1829 N1830 K1833 | I1755-F1801 HydrophobicContact CG2-CD2 4.2Å; I1755-T1802 CarbonylContact C-O 3.54Å; I1755-T1802 WeakPolarHBondContact CA-O 3.49Å; I1755-L1803 HydrophobicContact CG1-CD1 3.8Å; I1755-L1826 HydrophobicContact CG2-CD2 3.82Å; I1755-L1829 HydrophobicContact CD1-CB 3.46Å; I1755-L1829 VanDerWaalsContact CD1-CB 3.46Å; I1755-L1829 HydrophobicContact CD1-CD1 4.37Å; I1755-N1830 HydrophobicContact CD1-CB 3.58Å; I1755-N1830 HydrophobicContact CG1-CB 4.42Å; I1755-K1833 WeakPolarHBondContact O-CD 3.01Å; I1755-K1833 WeakPolarHBondContact O-CE 3.27Å; I1755-K1833 PolarHBondContact O-NZ 3.4Å |
| 1756 | E | 79.6 | Confident | 67.9 | Low | 59 Ų | 59 | 55.7 Ų | 55.7 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.6 | 163.8 | -65.6 | -167.7 | 136.6 | 0 | 0 | 110.5 | S1789 T1802 I1804 | E1756-S1789 WeakPolarHBondContact OE2-CB 3.12Å; E1756-T1802 PolarHBondContact N-O 3.36Å; E1756-T1802 PolarHBondContact O-N 2.63Å; E1756-I1804 HydrophobicContact CG-CD1 3.82Å |
| 1757 | Y | 75.5 | Confident | 66.6 | Low | 28 Ų | 28 | 62 Ų | 62 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | trans | -147 | 121 | 174.1 | 178.8 | -112.4 | 0 | 0 | 0 | 108 | M1759 A1762 M1800 F1801 I1822 L1826 I1837 | Y1757-M1759 PolarHBondContact O-N 2.67Å; Y1757-A1762 HydrophobicContact CE1-CB 4.01Å; Y1757-A1762 WeakPolarHBondContact OH-CB 3.43Å; Y1757-M1800 VanDerWaalsContact CD2-O 3.24Å; Y1757-M1800 WeakPolarHBondContact CD2-O 3.21Å; Y1757-M1800 VanDerWaalsContact CE2-O 3.28Å; Y1757-M1800 WeakPolarHBondContact CE2-O 3.49Å; Y1757-F1801 HydrophobicContact CD2-CB 4.05Å; Y1757-I1822 HydrophobicContact CD2-CD1 4.09Å; Y1757-I1822 HydrophobicContact CE2-CD1 3.43Å; Y1757-I1822 VanDerWaalsContact CE2-CD1 3.43Å; Y1757-L1826 HydrophobicContact CD1-CD1 4.11Å; Y1757-L1826 HydrophobicContact CD2-CD1 4.48Å; Y1757-L1826 HydrophobicContact CE1-CD1 4.37Å; Y1757-L1826 HydrophobicContact CG-CD1 4.15Å; Y1757-I1837 HydrophobicContact CD1-CD1 4Å | ||
| 1758 | D | 68.8 | Low | 65.1 | Low | 61 Ų | 61 | 65.1 Ų | 65.1 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | trans | -76.2 | 110.5 | 177.7 | -179.3 | 10.5 | 0 | 0 | 0 | 110.3 | N1760 M1761 | D1758-N1760 PolarHBondContact O-N 2.74Å; D1758-N1760 WeakPolarHBondContact OD1-CB 3.49Å; D1758-N1760 PolarHBondContact OD1-N 3.45Å; D1758-N1760 PolarHBondContact OD1-ND2 3.43Å; D1758-M1761 HydrophobicContact CB-CB 4.41Å; D1758-M1761 HydrophobicContact CB-CG 4.05Å; D1758-M1761 PolarHBondContact O-N 2.85Å; D1758-M1761 WeakPolarHBondContact OD2-CG 3.36Å | ||
| 1759 | M | 61.5 | Low | 63.2 | Low | 52 Ų | 52 | 70.8 Ų | 70.8 | 26% | 0.256 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -11 | 177.4 | -68.3 | -175.2 | -69.9 | 0 | 0 | 113.8 | Y1757 Y1763 I1837 R1840 | Y1757-M1759 PolarHBondContact O-N 2.67Å; M1759-Y1763 VanDerWaalsContact O-CD2 3.32Å; M1759-Y1763 WeakPolarHBondContact O-CD2 3.39Å; M1759-I1837 HydrophobicContact CG-CG1 4.44Å; M1759-I1837 HydrophobicContact SD-CG1 4.35Å; M1759-R1840 HydrophobicContact SD-CB 4.14Å |
| 1760 | N | 60.2 | Low | 61.4 | Low | 97 Ų | 97 | 77.3 Ų | 77.3 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -42.7 | 176.5 | -60.1 | -37.1 | 0 | 0 | 0 | 111.1 | D1758 A1762 Y1763 | D1758-N1760 PolarHBondContact O-N 2.74Å; D1758-N1760 WeakPolarHBondContact OD1-CB 3.49Å; D1758-N1760 PolarHBondContact OD1-N 3.45Å; D1758-N1760 PolarHBondContact OD1-ND2 3.43Å; N1760-A1762 PolarHBondContact O-N 3.15Å; N1760-A1762 VanDerWaalsContact O-N 3.1Å; N1760-Y1763 PolarHBondContact O-N 2.72Å; N1760-Y1763 VanDerWaalsContact O-N 3.1Å |
| 1761 | M | 55.9 | Low | 59.4 | Low | 41 Ų | 41 | 83.6 Ų | 83.6 | 20% | 0.202 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -52.8 | -31.3 | 170.4 | -69.8 | -102 | 86.9 | 0 | 0 | 112.8 | D1758 Y1763 | D1758-M1761 HydrophobicContact CB-CB 4.41Å; D1758-M1761 HydrophobicContact CB-CG 4.05Å; D1758-M1761 PolarHBondContact O-N 2.85Å; D1758-M1761 WeakPolarHBondContact OD2-CG 3.36Å; M1761-Y1763 PolarHBondContact O-N 2.92Å; M1761-Y1763 VanDerWaalsContact O-N 3.16Å |
| 1762 | A | 51.3 | Low | 57.3 | Low | 30 Ų | 30 | 87 Ų | 87 | 25% | 0.248 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -65.1 | -11 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1757 N1760 | Y1757-A1762 HydrophobicContact CE1-CB 4.01Å; Y1757-A1762 WeakPolarHBondContact OH-CB 3.43Å; N1760-A1762 PolarHBondContact O-N 3.15Å; N1760-A1762 VanDerWaalsContact O-N 3.1Å |
| 1763 | Y | 47 | Very low | 55.3 | Low | 65 Ų | 65 | 89.4 Ų | 89.4 | 26% | 0.255 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -106.6 | -9.6 | -173.1 | -85 | -75.5 | 0 | 0 | 0 | 115.8 | M1759 N1760 M1761 T1765 L1841 K1844 | M1759-Y1763 VanDerWaalsContact O-CD2 3.32Å; M1759-Y1763 WeakPolarHBondContact O-CD2 3.39Å; N1760-Y1763 PolarHBondContact O-N 2.72Å; N1760-Y1763 VanDerWaalsContact O-N 3.1Å; M1761-Y1763 PolarHBondContact O-N 2.92Å; M1761-Y1763 VanDerWaalsContact O-N 3.16Å; Y1763-T1765 PolarHBondContact O-N 2.82Å; Y1763-L1841 HydrophobicContact CD2-CD2 4.47Å; Y1763-L1841 HydrophobicContact CE2-CD2 3.48Å; Y1763-L1841 VanDerWaalsContact CE2-CD2 3.48Å; Y1763-L1841 VanDerWaalsContact OH-CD2 3.25Å; Y1763-L1841 WeakPolarHBondContact OH-CD2 3.47Å; Y1763-K1844 HydrophobicContact CE2-CD 3.73Å; Y1763-K1844 WeakPolarHBondContact OH-CB 3.44Å |
| 1764 | H | 46.3 | Very low | 53.2 | Low | 90 Ų | 90 | 97.9 Ų | 97.9 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | trans | -75.9 | 87.1 | -179.3 | -70.1 | -80.7 | 0 | 0 | 0 | 111.8 | ||||
| 1765 | T | 38.6 | Very low | 50.9 | Low | 80 Ų | 80 | 99.5 Ų | 99.5 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | trans | -55.6 | 151.5 | 153.9 | 22.4 | 0 | 0 | 0 | 0 | 110.1 | Y1763 D1767 D1768 | Y1763-T1765 PolarHBondContact O-N 2.82Å; T1765-D1767 PolarHBondContact O-N 3.11Å; T1765-D1768 PolarHBondContact O-N 3.43Å; T1765-D1768 PolarHBondContact OG1-OD1 2.88Å | ||
| 1766 | K | 38.4 | Very low | 48.5 | Very low | 195 Ų | 195 | 105.9 Ų | 105.9 | 85% | 0.848 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.4 | -177.9 | -83.2 | -175.4 | 173.1 | 178.1 | 0 | 114.2 | ||
| 1767 | D | 48.2 | Very low | 46.2 | Very low | 135 Ų | 135 | 108.2 Ų | 108.2 | 72% | 0.722 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -25.3 | -179.1 | -45.1 | -54.8 | 0 | 0 | 0 | 112.7 | T1765 L1769 | T1765-D1767 PolarHBondContact O-N 3.11Å; D1767-L1769 PolarHBondContact O-N 3.21Å; D1767-L1769 VanDerWaalsContact O-N 3.13Å |
| 1768 | D | 48.9 | Very low | 43.9 | Very low | 80 Ų | 80 | 112.3 Ų | 112.3 | 43% | 0.428 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -84 | 24.1 | -175.6 | -68 | 38.1 | 0 | 0 | 0 | 112.6 | T1765 | T1765-D1768 PolarHBondContact O-N 3.43Å; T1765-D1768 PolarHBondContact OG1-OD1 2.88Å |
| 1769 | L | 42.6 | Very low | 42.2 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -126 | 19.4 | -165 | -118.1 | 162.7 | 0 | 0 | 0 | 114.4 | D1767 | D1767-L1769 PolarHBondContact O-N 3.21Å; D1767-L1769 VanDerWaalsContact O-N 3.13Å |
| 1770 | L | 43 | Very low | 40.6 | Very low | 150 Ų | 150 | 121.6 Ų | 121.6 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -120.8 | -22 | -170.4 | -78.9 | 167.8 | 0 | 0 | 0 | 117 | ||
| 1771 | D | 43.5 | Very low | 39.2 | Very low | 153 Ų | 153 | 124.6 Ų | 124.6 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -93 | -42.9 | -169 | -83.7 | -41.5 | 0 | 0 | 0 | 115.5 | T1773 | D1771-T1773 PolarHBondContact O-N 2.8Š|
| 1772 | D | 35.3 | Very low | 37.9 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 91% | 0.914 | 67% | 0.67 | S | S | * | * | trans | -77.8 | 82.8 | -168 | -85.5 | -44.3 | 0 | 0 | 0 | 114 | ||||
| 1773 | T | 33.4 | Very low | 36.7 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 68% | 0.681 | 68% | 0.681 | S | S | * | * | trans | -120.1 | 136.3 | 161.2 | 61 | 0 | 0 | 0 | 0 | 111.1 | D1771 | D1771-T1773 PolarHBondContact O-N 2.8Š| ||
| 1774 | K | 34.8 | Very low | 36 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | trans | 78 | 74.3 | 173.7 | -42.9 | 161.1 | -171.3 | 162.4 | 0 | 117.7 | ||||
| 1775 | I | 33.2 | Very low | 35.3 | Very low | 168 Ų | 168 | 135 Ų | 135 | 86% | 0.862 | 71% | 0.712 | S | S | * | * | trans | -128.7 | 131.3 | 140.2 | -61.5 | -175.3 | 0 | 0 | 0 | 108.6 | ||||
| 1776 | N | 32.2 | Very low | 35.1 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | -106.5 | 146.5 | 176.7 | -68.4 | -50.7 | 0 | 0 | 0 | 110.1 | ||||
| 1777 | S | 30.6 | Very low | 34.9 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | trans | 45.2 | 132.4 | 142.8 | 64.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1778 | V | 29.2 | Very low | 34.3 | Very low | 114 Ų | 114 | 135 Ų | 135 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | 159.4 | 124.9 | 120.3 | 156.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1779 | H | 31.4 | Very low | 33.8 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | 52.8 | 162.9 | 157.1 | -68.7 | -28.4 | 0 | 0 | 0 | 120.5 | ||||
| 1780 | L | 28.3 | Very low | 34 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | cis | -175.7 | 173.1 | -42.5 | -117.7 | -178 | 0 | 0 | 0 | 105.6 | ||||
| 1781 | I | 31.1 | Very low | 34.4 | Very low | 159 Ų | 159 | 123 Ų | 123 | 82% | 0.815 | 67% | 0.666 | S | S | * | * | trans | 73.7 | 122.4 | 175.2 | -45.4 | 167.6 | 0 | 0 | 0 | 113.5 | ||||
| 1782 | S | 28.5 | Very low | 34.8 | Very low | 83 Ų | 83 | 118.3 Ų | 118.3 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | cis | -154.6 | 170.6 | -22.5 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1783 | D | 26.7 | Very low | 35.6 | Very low | 91 Ų | 91 | 116 Ų | 116 | 49% | 0.487 | 63% | 0.632 | S | S | . | * | trans | 60.9 | 66.4 | 145.8 | -51.5 | -28 | 0 | 0 | 0 | 119.9 | I774 | I774-D1783 HydrophobicContact CD1-CB 4.22Å; I774-D1783 WeakPolarHBondContact CD1-OD1 3.34Å; I774-D1783 HydrophobicContact CG2-CB 3.76Å | ||
| 1784 | N | 32.7 | Very low | 36.4 | Very low | 78 Ų | 78 | 115 Ų | 115 | 42% | 0.417 | 62% | 0.618 | S | S | . | * | trans | -159.9 | 139.6 | 131.8 | -119.1 | -82.6 | 0 | 0 | 0 | 112.2 | E775 N776 S1786 | E775-N1784 PolarHBondContact O-ND2 2.8Å; N776-N1784 PolarHBondContact O-ND2 2.79Å; N1784-S1786 PolarHBondContact O-N 3.09Å | ||
| 1785 | Q | 30.3 | Very low | 36.8 | Very low | 194 Ų | 194 | 110.5 Ų | 110.5 | 91% | 0.907 | 61% | 0.608 | S | S | * | * | trans | -97.4 | 68.5 | 179.2 | -71.9 | -165 | 4.3 | 0 | 0 | 112 | I1787 | Q1785-I1787 PolarHBondContact O-N 2.84Š| ||
| 1786 | S | 34.1 | Very low | 37.6 | Very low | 98 Ų | 98 | 107.2 Ų | 107.2 | 69% | 0.685 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 123.8 | 172 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | N1784 M1788 | N1784-S1786 PolarHBondContact O-N 3.09Å; S1786-M1788 PolarHBondContact O-N 3.1Å |
| 1787 | I | 35.1 | Very low | 38.8 | Very low | 168 Ų | 168 | 104.9 Ų | 104.9 | 86% | 0.862 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 126.2 | 173.2 | -61.7 | 171.5 | 0 | 0 | 0 | 109 | Q1785 S1789 | Q1785-I1787 PolarHBondContact O-N 2.84Å; I1787-S1789 PolarHBondContact O-N 2.97Å |
| 1788 | M | 36.2 | Very low | 40.3 | Very low | 143 Ų | 143 | 102.4 Ų | 102.4 | 70% | 0.704 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.8 | -177.6 | -68.4 | -176.9 | 68.7 | 0 | 0 | 112.1 | S1786 | S1786-M1788 PolarHBondContact O-N 3.1Š|
| 1789 | S | 38.2 | Very low | 42.4 | Very low | 46 Ų | 46 | 97.2 Ų | 97.2 | 32% | 0.322 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 131.9 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | E1756 I1787 T1791 S1792 | E1756-S1789 WeakPolarHBondContact OE2-CB 3.12Å; I1787-S1789 PolarHBondContact O-N 2.97Å; S1789-T1791 PolarHBondContact O-N 3.29Å; S1789-S1792 WeakPolarHBondContact O-CB 3.5Å; S1789-S1792 PolarHBondContact O-N 2.85Å; S1789-S1792 PolarHBondContact O-OG 3.48Å |
| 1790 | P | 47.1 | Very low | 44.7 | Very low | 43 Ų | 43 | 89.7 Ų | 89.7 | 28% | 0.279 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -60.8 | -21.1 | -177.7 | -30.8 | 40.3 | 0 | 0 | 0 | 114.9 | S1792 L1793 T1802 T1809 | P1790-S1792 PolarHBondContact O-N 2.87Å; P1790-L1793 PolarHBondContact O-N 2.89Å; P1790-T1802 HydrophobicContact CB-CG2 4.42Å; P1790-T1809 HydrophobicContact CB-CG2 4.39Å; P1790-T1809 HydrophobicContact CG-CG2 3.84Å |
| 1791 | T | 51 | Low | 47.4 | Very low | 16 Ų | 16 | 82.9 Ų | 82.9 | 10% | 0.098 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -61.6 | -29.6 | 173.1 | -33.4 | 0 | 0 | 0 | 0 | 112.2 | S1789 L1793 T1802 | S1789-T1791 PolarHBondContact O-N 3.29Å; T1791-L1793 VanDerWaalsContact C-N 3.27Å; T1791-L1793 PolarHBondContact O-N 3.45Å; T1791-T1802 PolarHBondContact OG1-OG1 3.4Å |
| 1792 | S | 51.1 | Low | 49.9 | Very low | 54 Ų | 54 | 75.3 Ų | 75.3 | 38% | 0.378 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -69.7 | -18.5 | 179.1 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | S1789 P1790 F1794 | S1789-S1792 WeakPolarHBondContact O-CB 3.5Å; S1789-S1792 PolarHBondContact O-N 2.85Å; S1789-S1792 PolarHBondContact O-OG 3.48Å; P1790-S1792 PolarHBondContact O-N 2.87Å; S1792-F1794 VanDerWaalsContact C-N 3.33Å; S1792-F1794 PolarHBondContact O-N 2.94Å |
| 1793 | L | 51.9 | Low | 52.5 | Low | 123 Ų | 123 | 71.4 Ų | 71.4 | 64% | 0.644 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -80.2 | -10 | -178.3 | -72.8 | 164.5 | 0 | 0 | 0 | 114 | P1790 T1791 | P1790-L1793 PolarHBondContact O-N 2.89Å; T1791-L1793 VanDerWaalsContact C-N 3.27Å; T1791-L1793 PolarHBondContact O-N 3.45Å |
| 1794 | F | 50.6 | Low | 55.1 | Low | 90 Ų | 90 | 69.2 Ų | 69.2 | 40% | 0.395 | 38% | 0.383 | S | S | . | . | trans | -131.4 | 65.7 | -176.7 | -66 | -82.2 | 0 | 0 | 0 | 112.4 | L1714 S1792 S1796 M1800 L1811 | L1714-F1794 HydrophobicContact CD2-CE2 4.27Å; L1714-F1794 HydrophobicContact CD2-CZ 4.19Å; S1792-F1794 VanDerWaalsContact C-N 3.33Å; S1792-F1794 PolarHBondContact O-N 2.94Å; F1794-S1796 VanDerWaalsContact C-N 3.26Å; F1794-S1796 PolarHBondContact O-N 2.91Å; F1794-M1800 HydrophobicContact CB-CE 3.69Å; F1794-M1800 WeakPolarHBondContact O-CE 3.46Å; F1794-L1811 HydrophobicContact CD2-CD2 3.49Å; F1794-L1811 VanDerWaalsContact CD2-CD2 3.49Å; F1794-L1811 HydrophobicContact CE2-CD2 3.78Å; F1794-L1811 HydrophobicContact CG-CD2 4.1Å | ||
| 1795 | P | 44.1 | Very low | 57 | Low | 95 Ų | 95 | 66.7 Ų | 66.7 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 46.5 | -162.7 | 35.9 | -40.5 | 0 | 0 | 0 | 114.6 | ||
| 1796 | S | 49.5 | Very low | 58.8 | Low | 99 Ų | 99 | 64.1 Ų | 64.1 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.2 | 3.3 | -170.5 | 65 | 0 | 0 | 0 | 0 | 117.6 | F1794 | F1794-S1796 VanDerWaalsContact C-N 3.26Å; F1794-S1796 PolarHBondContact O-N 2.91Å |
| 1797 | K | 57.4 | Low | 60.2 | Low | 91 Ų | 91 | 63.1 Ų | 63.1 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | trans | -138.7 | 116.1 | -179.5 | -60.6 | -163.7 | -170.2 | 179.7 | 0 | 113.6 | N1799 M1800 Q1813 | K1797-N1799 PolarHBondContact O-N 2.93Å; K1797-N1799 VanDerWaalsContact O-N 3.12Å; K1797-M1800 HydrophobicContact CB-CE 4.38Å; K1797-M1800 HydrophobicContact CB-CG 4.15Å; K1797-M1800 HydrophobicContact CB-SD 4.26Å; K1797-Q1813 VanDerWaalsContact CD-NE2 3.26Å | ||
| 1798 | V | 60.9 | Low | 61.9 | Low | 58 Ų | 58 | 57.8 Ų | 57.8 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.7 | -179.8 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1799 | N | 75.2 | Confident | 63.7 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 31.2 | -170.9 | 74.5 | -18 | 0 | 0 | 0 | 114.6 | K1797 Q1813 T1814 T1816 | K1797-N1799 PolarHBondContact O-N 2.93Å; K1797-N1799 VanDerWaalsContact O-N 3.12Å; N1799-Q1813 PolarHBondContact ND2-NE2 3.35Å; N1799-Q1813 WeakPolarHBondContact O-CA 3.25Å; N1799-Q1813 WeakPolarHBondContact O-CG 3.2Å; N1799-Q1813 VanDerWaalsContact OD1-CG 3.25Å; N1799-Q1813 WeakPolarHBondContact OD1-CG 3.45Å; N1799-Q1813 PolarHBondContact OD1-NE2 3.43Å; N1799-T1814 PolarHBondContact ND2-O 3.06Å; N1799-T1814 PolarHBondContact O-N 2.85Å; N1799-T1816 PolarHBondContact ND2-O 3.31Å |
| 1800 | M | 79.3 | Confident | 65.7 | Low | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 152.1 | 177.2 | -64.2 | -168.3 | -43.6 | 0 | 0 | 113.8 | W1721 Y1757 F1794 K1797 L1811 I1812 Q1813 | W1721-M1800 HydrophobicContact CH2-SD 3.82Å; W1721-M1800 HydrophobicContact CZ2-SD 3.79Å; Y1757-M1800 VanDerWaalsContact CD2-O 3.24Å; Y1757-M1800 WeakPolarHBondContact CD2-O 3.21Å; Y1757-M1800 VanDerWaalsContact CE2-O 3.28Å; Y1757-M1800 WeakPolarHBondContact CE2-O 3.49Å; F1794-M1800 HydrophobicContact CB-CE 3.69Å; F1794-M1800 WeakPolarHBondContact O-CE 3.46Å; K1797-M1800 HydrophobicContact CB-CE 4.38Å; K1797-M1800 HydrophobicContact CB-CG 4.15Å; K1797-M1800 HydrophobicContact CB-SD 4.26Å; M1800-L1811 HydrophobicContact SD-CD2 4.33Å; M1800-I1812 CarbonylContact C-O 3.58Å; M1800-I1812 VanDerWaalsContact CA-O 3.29Å; M1800-I1812 WeakPolarHBondContact CA-O 3.3Å; M1800-Q1813 HydrophobicContact CG-CB 3.81Å; M1800-Q1813 HydrophobicContact CG-CG 3.66Å; M1800-Q1813 HydrophobicContact SD-CB 4.48Å |
| 1801 | F | 84.1 | Confident | 67.5 | Low | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 161.6 | 167.5 | 59.4 | -89.7 | 0 | 0 | 0 | 110.6 | I1755 Y1757 I1812 T1814 I1822 W1825 L1826 L1829 | I1755-F1801 HydrophobicContact CG2-CD2 4.2Å; Y1757-F1801 HydrophobicContact CD2-CB 4.05Å; F1801-I1812 HydrophobicContact CD2-CB 4.22Å; F1801-I1812 HydrophobicContact CE1-CB 4.44Å; F1801-I1812 HydrophobicContact CE1-CG2 3.94Å; F1801-I1812 HydrophobicContact CE2-CB 3.85Å; F1801-I1812 HydrophobicContact CE2-CD1 3.92Å; F1801-I1812 HydrophobicContact CE2-CG1 4.42Å; F1801-I1812 HydrophobicContact CE2-CG2 3.87Å; F1801-I1812 HydrophobicContact CZ-CB 3.98Å; F1801-I1812 HydrophobicContact CZ-CD1 4.47Å; F1801-I1812 HydrophobicContact CZ-CG2 3.49Å; F1801-I1812 VanDerWaalsContact CZ-CG2 3.49Å; F1801-I1812 PolarHBondContact N-O 2.8Å; F1801-I1812 PolarHBondContact O-N 3.38Å; F1801-I1812 VanDerWaalsContact O-O 3.09Å; F1801-T1814 HydrophobicContact CE1-CG2 3.94Å; F1801-I1822 HydrophobicContact CD1-CD1 4.11Å; F1801-I1822 HydrophobicContact CD1-CG1 4.09Å; F1801-W1825 HydrophobicContact CE1-CB 4.21Å; F1801-W1825 HydrophobicContact CZ-CB 4.41Å; F1801-L1826 HydrophobicContact CB-CD2 4.31Å; F1801-L1826 HydrophobicContact CG-CD2 4.26Å; F1801-L1829 HydrophobicContact CD2-CD1 4.47Å; F1801-L1829 HydrophobicContact CE2-CD1 3.43Å; F1801-L1829 VanDerWaalsContact CE2-CD1 3.43Å; F1801-L1829 HydrophobicContact CZ-CD1 3.58Å |
| 1802 | T | 84 | Confident | 69.2 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.2 | -177.8 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | I1755 E1756 P1790 T1791 I1804 T1809 L1810 L1811 | I1755-T1802 CarbonylContact C-O 3.54Å; I1755-T1802 WeakPolarHBondContact CA-O 3.49Å; E1756-T1802 PolarHBondContact N-O 3.36Å; E1756-T1802 PolarHBondContact O-N 2.63Å; P1790-T1802 HydrophobicContact CB-CG2 4.42Å; T1791-T1802 PolarHBondContact OG1-OG1 3.4Å; T1802-I1804 HydrophobicContact CG2-CG1 4.1Å; T1802-T1809 HydrophobicContact CG2-CG2 3.25Å; T1802-L1810 WeakPolarHBondContact CA-O 3.45Å; T1802-L1811 WeakPolarHBondContact OG1-CD1 3.5Å |
| 1803 | L | 83.3 | Confident | 70.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 103.7 | 179.9 | -175.6 | 66.8 | 0 | 0 | 0 | 109.5 | L1733 I1748 L1750 I1755 L1810 I1812 | L1733-L1803 HydrophobicContact CD2-CD2 3.8Å; I1748-L1803 HydrophobicContact CB-CD2 4.3Å; I1748-L1803 HydrophobicContact CD1-CD2 4.24Å; I1748-L1803 HydrophobicContact CG2-CD2 3.72Å; I1748-L1803 HydrophobicContact CG2-CG 4.23Å; L1750-L1803 HydrophobicContact CD2-CD1 4.21Å; L1750-L1803 HydrophobicContact CD2-CD2 4.44Å; I1755-L1803 HydrophobicContact CG1-CD1 3.8Å; L1803-L1810 HydrophobicContact CB-CB 4.46Å; L1803-L1810 PolarHBondContact N-O 2.86Å; L1803-L1810 PolarHBondContact O-N 3.28Å; L1803-I1812 HydrophobicContact CB-CD1 4Å; L1803-I1812 HydrophobicContact CD2-CD1 3.96Å |
| 1804 | I | 80.4 | Confident | 72.4 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.7 | -176.5 | -54.2 | 173.9 | 0 | 0 | 0 | 108.7 | S1753 Q1754 E1756 T1802 T1809 | S1753-I1804 CarbonylContact C-O 3.57Å; S1753-I1804 WeakPolarHBondContact CA-O 3.29Å; S1753-I1804 WeakPolarHBondContact CB-O 3.37Å; Q1754-I1804 PolarHBondContact N-O 2.94Å; Q1754-I1804 PolarHBondContact O-N 3.5Å; E1756-I1804 HydrophobicContact CG-CD1 3.82Å; T1802-I1804 HydrophobicContact CG2-CG1 4.1Å; I1804-T1809 HydrophobicContact CG1-CG2 3.77Å |
| 1805 | T | 73.3 | Confident | 73.9 | Confident | 24 Ų | 24 | 40.7 Ų | 40.7 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 169.2 | 170.3 | 85.6 | 0 | 0 | 0 | 0 | 110.2 | I1748 T1807 R1808 | I1748-T1805 HydrophobicContact CG2-CG2 3.66Å; T1805-T1807 PolarHBondContact O-N 3.1Å; T1805-T1807 PolarHBondContact OG1-N 3.17Å; T1805-T1807 PolarHBondContact OG1-OG1 2.99Å; T1805-R1808 PolarHBondContact N-O 2.9Å; T1805-R1808 PolarHBondContact OG1-N 3.26Å; T1805-R1808 PolarHBondContact OG1-O 3.21Å |
| 1806 | N | 67.9 | Low | 75.4 | Confident | 140 Ų | 140 | 38.2 Ų | 38.2 | 75% | 0.749 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -55.8 | -12.3 | 170.1 | -65.7 | 6.7 | 0 | 0 | 0 | 114.7 | T1752 | T1752-N1806 PolarHBondContact O-OD1 2.69Š|
| 1807 | T | 64.5 | Low | 76.2 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 47% | 0.472 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -128.4 | -21.4 | -174.5 | 61.5 | 0 | 0 | 0 | 0 | 115.6 | T1805 | T1805-T1807 PolarHBondContact O-N 3.1Å; T1805-T1807 PolarHBondContact OG1-N 3.17Å; T1805-T1807 PolarHBondContact OG1-OG1 2.99Å |
| 1808 | R | 68.9 | Low | 76.6 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | trans | -153.2 | 160.8 | -179.3 | -63.4 | -167.9 | -159.6 | 157.9 | 16.2 | 112.4 | S1690 Y1691 T1805 L1810 | S1690-R1808 PolarHBondContact O-NH1 3.39Å; Y1691-R1808 PolarHBondContact O-NH1 3.2Å; Y1691-R1808 PolarHBondContact O-NH2 2.84Å; T1805-R1808 PolarHBondContact N-O 2.9Å; T1805-R1808 PolarHBondContact OG1-N 3.26Å; T1805-R1808 PolarHBondContact OG1-O 3.21Å; R1808-L1810 HydrophobicContact CB-CD2 4.49Å | ||
| 1809 | T | 75.1 | Confident | 76.8 | Confident | 54 Ų | 54 | 41.4 Ų | 41.4 | 33% | 0.331 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.2 | 171.9 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | P1790 T1802 I1804 | P1790-T1809 HydrophobicContact CB-CG2 4.39Å; P1790-T1809 HydrophobicContact CG-CG2 3.84Å; T1802-T1809 HydrophobicContact CG2-CG2 3.25Å; I1804-T1809 HydrophobicContact CG1-CG2 3.77Å |
| 1810 | L | 79.5 | Confident | 76.7 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.6 | -172.8 | -55.4 | 176.2 | 0 | 0 | 0 | 110.5 | L1692 I1748 T1802 L1803 R1808 I1812 | L1692-L1810 HydrophobicContact CD2-CD1 4.05Å; L1692-L1810 HydrophobicContact CD2-CD2 3.53Å; L1692-L1810 HydrophobicContact CD2-CG 4.42Å; I1748-L1810 HydrophobicContact CD1-CD1 3.54Å; I1748-L1810 HydrophobicContact CG1-CD1 3.85Å; T1802-L1810 WeakPolarHBondContact CA-O 3.45Å; L1803-L1810 HydrophobicContact CB-CB 4.46Å; L1803-L1810 PolarHBondContact N-O 2.86Å; L1803-L1810 PolarHBondContact O-N 3.28Å; R1808-L1810 HydrophobicContact CB-CD2 4.49Å; L1810-I1812 HydrophobicContact CB-CG1 4.42Å |
| 1811 | L | 85.2 | Confident | 76.7 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 125.2 | 170.1 | -165 | 73.8 | 0 | 0 | 0 | 109.1 | L1714 W1721 F1794 M1800 T1802 | L1714-L1811 HydrophobicContact CB-CB 4.06Å; L1714-L1811 HydrophobicContact CD2-CB 4.23Å; L1714-L1811 HydrophobicContact CD2-CD2 3.98Å; L1714-L1811 PolarHBondContact N-O 3.47Å; W1721-L1811 HydrophobicContact CH2-CB 4.38Å; W1721-L1811 HydrophobicContact CH2-CD2 3.64Å; W1721-L1811 HydrophobicContact CH2-CG 3.8Å; W1721-L1811 HydrophobicContact CZ2-CD2 3.79Å; W1721-L1811 HydrophobicContact CZ2-CG 4.45Å; F1794-L1811 HydrophobicContact CD2-CD2 3.49Å; F1794-L1811 VanDerWaalsContact CD2-CD2 3.49Å; F1794-L1811 HydrophobicContact CE2-CD2 3.78Å; F1794-L1811 HydrophobicContact CG-CD2 4.1Å; M1800-L1811 HydrophobicContact SD-CD2 4.33Å; T1802-L1811 WeakPolarHBondContact OG1-CD1 3.5Å |
| 1812 | I | 87.1 | Confident | 76.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.4 | -173.3 | -60 | 179.2 | 0 | 0 | 0 | 109 | L1711 L1712 L1733 M1800 F1801 L1803 L1810 | L1711-I1812 HydrophobicContact CB-CG2 4.26Å; L1711-I1812 HydrophobicContact CD1-CG2 3.89Å; L1711-I1812 HydrophobicContact CD2-CG2 4.08Å; L1711-I1812 HydrophobicContact CG-CG2 4.31Å; L1712-I1812 WeakPolarHBondContact O-CA 3.04Å; L1733-I1812 HydrophobicContact CD2-CD1 4.46Å; M1800-I1812 CarbonylContact C-O 3.58Å; M1800-I1812 VanDerWaalsContact CA-O 3.29Å; M1800-I1812 WeakPolarHBondContact CA-O 3.3Å; F1801-I1812 HydrophobicContact CD2-CB 4.22Å; F1801-I1812 HydrophobicContact CE1-CB 4.44Å; F1801-I1812 HydrophobicContact CE1-CG2 3.94Å; F1801-I1812 HydrophobicContact CE2-CB 3.85Å; F1801-I1812 HydrophobicContact CE2-CD1 3.92Å; F1801-I1812 HydrophobicContact CE2-CG1 4.42Å; F1801-I1812 HydrophobicContact CE2-CG2 3.87Å; F1801-I1812 HydrophobicContact CZ-CB 3.98Å; F1801-I1812 HydrophobicContact CZ-CD1 4.47Å; F1801-I1812 HydrophobicContact CZ-CG2 3.49Å; F1801-I1812 VanDerWaalsContact CZ-CG2 3.49Å; F1801-I1812 PolarHBondContact N-O 2.8Å; F1801-I1812 PolarHBondContact O-N 3.38Å; F1801-I1812 VanDerWaalsContact O-O 3.09Å; L1803-I1812 HydrophobicContact CB-CD1 4Å; L1803-I1812 HydrophobicContact CD2-CD1 3.96Å; L1810-I1812 HydrophobicContact CB-CG1 4.42Å |
| 1813 | Q | 85.6 | Confident | 76.4 | Confident | 15 Ų | 15 | 50 Ų | 50 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.3 | 173.7 | -169.2 | -164.7 | -2.6 | 0 | 0 | 109.2 | L1712 W1721 K1797 N1799 M1800 | L1712-Q1813 HydrophobicContact CB-CB 4.09Å; L1712-Q1813 WeakPolarHBondContact CB-O 3.44Å; L1712-Q1813 HydrophobicContact CD1-CB 4.46Å; L1712-Q1813 PolarHBondContact N-O 2.68Å; L1712-Q1813 PolarHBondContact O-N 3.26Å; W1721-Q1813 HydrophobicContact CE3-CB 4.16Å; W1721-Q1813 HydrophobicContact CH2-CB 3.69Å; W1721-Q1813 HydrophobicContact CZ2-CB 4.4Å; W1721-Q1813 HydrophobicContact CZ3-CB 3.58Å; K1797-Q1813 VanDerWaalsContact CD-NE2 3.26Å; N1799-Q1813 PolarHBondContact ND2-NE2 3.35Å; N1799-Q1813 WeakPolarHBondContact O-CA 3.25Å; N1799-Q1813 WeakPolarHBondContact O-CG 3.2Å; N1799-Q1813 VanDerWaalsContact OD1-CG 3.25Å; N1799-Q1813 WeakPolarHBondContact OD1-CG 3.45Å; N1799-Q1813 PolarHBondContact OD1-NE2 3.43Å; M1800-Q1813 HydrophobicContact CG-CB 3.81Å; M1800-Q1813 HydrophobicContact CG-CG 3.66Å; M1800-Q1813 HydrophobicContact SD-CB 4.48Å |
| 1814 | T | 85.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -82 | 166 | 171.6 | 81.3 | 0 | 0 | 0 | 0 | 111.5 | L1711 N1799 F1801 D1821 I1822 W1825 | L1711-T1814 HydrophobicContact CD2-CG2 4.11Å; N1799-T1814 PolarHBondContact ND2-O 3.06Å; N1799-T1814 PolarHBondContact O-N 2.85Å; F1801-T1814 HydrophobicContact CE1-CG2 3.94Å; T1814-D1821 WeakPolarHBondContact CB-OD1 3.48Å; T1814-D1821 WeakPolarHBondContact CG2-OD1 3.24Å; T1814-D1821 PolarHBondContact OG1-OD1 2.94Å; T1814-I1822 HydrophobicContact CG2-CB 4.3Å; T1814-I1822 HydrophobicContact CG2-CG1 4.18Å; T1814-W1825 HydrophobicContact CG2-CG 4.22Å | ||
| 1815 | I | 80.9 | Confident | 76.9 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 35% | 0.349 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -95.5 | -17.4 | -170 | -77.2 | 175.4 | 0 | 0 | 0 | 113.5 | L1712 R1723 E1817 | L1712-I1815 HydrophobicContact CD1-CG1 4.18Å; L1712-I1815 HydrophobicContact CG-CD1 4.35Å; L1712-I1815 HydrophobicContact CG-CG1 3.94Å; R1723-I1815 HydrophobicContact CG-CD1 4.33Å; I1815-E1817 PolarHBondContact O-N 2.72Å |
| 1816 | T | 76.9 | Confident | 77.6 | Confident | 44 Ų | 44 | 51 Ų | 51 | 27% | 0.27 | 27% | 0.271 | S | S | . | . | trans | -76.6 | 116.7 | 170.9 | 63.6 | 0 | 0 | 0 | 0 | 109.1 | N1799 D1818 G1819 S1820 D1821 | N1799-T1816 PolarHBondContact ND2-O 3.31Å; T1816-D1818 VanDerWaalsContact CB-OD1 3.22Å; T1816-D1818 WeakPolarHBondContact CB-OD1 3.16Å; T1816-D1818 PolarHBondContact O-N 3.36Å; T1816-D1818 PolarHBondContact OG1-OD1 2.77Å; T1816-G1819 PolarHBondContact O-N 3.38Å; T1816-S1820 WeakPolarHBondContact CB-OG 3.34Å; T1816-S1820 PolarHBondContact OG1-N 3.27Å; T1816-S1820 PolarHBondContact OG1-OG 3.18Å; T1816-D1821 HydrophobicContact CG2-CB 4.06Å; T1816-D1821 PolarHBondContact OG1-N 3.38Å; T1816-D1821 PolarHBondContact OG1-OD1 3.29Å | ||
| 1817 | E | 65.8 | Low | 78.5 | Confident | 190 Ų | 190 | 50.8 Ų | 50.8 | 89% | 0.888 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.4 | -176.4 | -60.9 | -171.1 | 147.4 | 0 | 0 | 113.5 | I1815 G1819 | I1815-E1817 PolarHBondContact O-N 2.72Å; E1817-G1819 VanDerWaalsContact C-N 3.29Å |
| 1818 | D | 65.3 | Low | 79.6 | Confident | 118 Ų | 118 | 47.3 Ų | 47.3 | 63% | 0.631 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -3.5 | 174.4 | 64.9 | -1.4 | 0 | 0 | 0 | 113.7 | T1816 S1820 | T1816-D1818 VanDerWaalsContact CB-OD1 3.22Å; T1816-D1818 WeakPolarHBondContact CB-OD1 3.16Å; T1816-D1818 PolarHBondContact O-N 3.36Å; T1816-D1818 PolarHBondContact OG1-OD1 2.77Å; D1818-S1820 PolarHBondContact O-N 3.45Å; D1818-S1820 WeakPolarHBondContact OD1-CB 3.4Å; D1818-S1820 PolarHBondContact OD1-N 3.01Å; D1818-S1820 PolarHBondContact OD1-OG 2.75Å; D1818-S1820 PolarHBondContact OD2-OG 2.87Å |
| 1819 | G | 64.7 | Low | 80.5 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | trans | 66.2 | 12.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1816 E1817 D1821 I1822 | T1816-G1819 PolarHBondContact O-N 3.38Å; E1817-G1819 VanDerWaalsContact C-N 3.29Å; G1819-D1821 PolarHBondContact O-N 2.91Å; G1819-D1821 VanDerWaalsContact O-N 3.11Å; G1819-I1822 WeakPolarHBondContact O-CG2 3.41Å; G1819-I1822 PolarHBondContact O-N 3.26Å | ||
| 1820 | S | 73.2 | Confident | 81 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 51% | 0.51 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31 | -176.3 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | T1816 D1818 | T1816-S1820 WeakPolarHBondContact CB-OG 3.34Å; T1816-S1820 PolarHBondContact OG1-N 3.27Å; T1816-S1820 PolarHBondContact OG1-OG 3.18Å; D1818-S1820 PolarHBondContact O-N 3.45Å; D1818-S1820 WeakPolarHBondContact OD1-CB 3.4Å; D1818-S1820 PolarHBondContact OD1-N 3.01Å; D1818-S1820 PolarHBondContact OD1-OG 2.75Å; D1818-S1820 PolarHBondContact OD2-OG 2.87Å |
| 1821 | D | 79.4 | Confident | 81.2 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 10% | 0.096 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6.3 | 178.4 | 77.2 | -13.9 | 0 | 0 | 0 | 115.3 | T1814 T1816 G1819 H1823 D1824 W1825 | T1814-D1821 WeakPolarHBondContact CB-OD1 3.48Å; T1814-D1821 WeakPolarHBondContact CG2-OD1 3.24Å; T1814-D1821 PolarHBondContact OG1-OD1 2.94Å; T1816-D1821 HydrophobicContact CG2-CB 4.06Å; T1816-D1821 PolarHBondContact OG1-N 3.38Å; T1816-D1821 PolarHBondContact OG1-OD1 3.29Å; G1819-D1821 PolarHBondContact O-N 2.91Å; G1819-D1821 VanDerWaalsContact O-N 3.11Å; D1821-H1823 PolarHBondContact O-N 3.15Å; D1821-D1824 WeakPolarHBondContact O-CB 3.19Å; D1821-D1824 PolarHBondContact O-N 3.19Å; D1821-D1824 VanDerWaalsContact O-N 3.17Å; D1821-W1825 VanDerWaalsContact CG-CD1 3.5Å; D1821-W1825 PolarHBondContact O-N 3.12Å; D1821-W1825 VanDerWaalsContact OD2-CD1 3.3Å; D1821-W1825 PolarHBondContact OD2-NE1 2.87Å |
| 1822 | I | 82.6 | Confident | 80.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -37.5 | -172.5 | -161.1 | 167.1 | 0 | 0 | 0 | 112.6 | Y1757 F1801 T1814 G1819 D1824 W1825 L1826 | Y1757-I1822 HydrophobicContact CD2-CD1 4.09Å; Y1757-I1822 HydrophobicContact CE2-CD1 3.43Å; Y1757-I1822 VanDerWaalsContact CE2-CD1 3.43Å; F1801-I1822 HydrophobicContact CD1-CD1 4.11Å; F1801-I1822 HydrophobicContact CD1-CG1 4.09Å; T1814-I1822 HydrophobicContact CG2-CB 4.3Å; T1814-I1822 HydrophobicContact CG2-CG1 4.18Å; G1819-I1822 WeakPolarHBondContact O-CG2 3.41Å; G1819-I1822 PolarHBondContact O-N 3.26Å; I1822-D1824 VanDerWaalsContact C-N 3.3Å; I1822-D1824 PolarHBondContact O-N 3.07Å; I1822-W1825 PolarHBondContact O-N 3.22Å; I1822-L1826 HydrophobicContact CG1-CD1 4.13Å; I1822-L1826 HydrophobicContact CG1-CG 4.3Å; I1822-L1826 WeakPolarHBondContact O-CB 3.47Å; I1822-L1826 VanDerWaalsContact O-CG 3.3Å; I1822-L1826 WeakPolarHBondContact O-CG 3.48Å; I1822-L1826 PolarHBondContact O-N 3.47Å |
| 1823 | H | 79.5 | Confident | 80.4 | Confident | 95 Ų | 95 | 56.2 Ų | 56.2 | 44% | 0.44 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 176.4 | -75.3 | -39.3 | 0 | 0 | 0 | 112.1 | D1821 Y1827 | D1821-H1823 PolarHBondContact O-N 3.15Å; H1823-Y1827 WeakPolarHBondContact O-CB 3.38Å; H1823-Y1827 PolarHBondContact O-N 3Å |
| 1824 | D | 84.5 | Confident | 80.1 | Confident | 84 Ų | 84 | 56 Ų | 56 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 175.2 | -71.2 | -6.4 | 0 | 0 | 0 | 111.9 | R1707 D1821 I1822 Y1827 A1828 | R1707-D1824 IonicContact CZ-OD2 3.59Å; R1707-D1824 VanDerWaalsContact NH1-CG 3.35Å; R1707-D1824 IonicContact NH1-OD2 3.78Å; R1707-D1824 PolarHBondContact NH1-OD2 3.45Å; R1707-D1824 IonicContact NH2-OD2 2.7Å; R1707-D1824 PolarHBondContact NH2-OD2 2.75Å; D1821-D1824 WeakPolarHBondContact O-CB 3.19Å; D1821-D1824 PolarHBondContact O-N 3.19Å; D1821-D1824 VanDerWaalsContact O-N 3.17Å; I1822-D1824 VanDerWaalsContact C-N 3.3Å; I1822-D1824 PolarHBondContact O-N 3.07Å; D1824-Y1827 PolarHBondContact O-N 3.21Å; D1824-A1828 VanDerWaalsContact O-CB 3.28Å; D1824-A1828 WeakPolarHBondContact O-CB 3.3Å; D1824-A1828 PolarHBondContact O-N 2.97Å |
| 1825 | W | 90 | Very high | 79.6 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 176.4 | -76.5 | 110.9 | 0 | 0 | 0 | 111.4 | R1707 L1711 A1726 V1728 F1801 T1814 D1821 I1822 Y1827 A1828 L1829 | R1707-W1825 HydrophobicContact CB-CE3 4.43Å; R1707-W1825 HydrophobicContact CB-CZ3 4.36Å; R1707-W1825 HydrophobicContact CG-CD2 4.33Å; R1707-W1825 HydrophobicContact CG-CE3 4.15Å; R1707-W1825 HydrophobicContact CG-CH2 4.23Å; R1707-W1825 HydrophobicContact CG-CZ2 4.39Å; R1707-W1825 HydrophobicContact CG-CZ3 4.1Å; L1711-W1825 HydrophobicContact CD1-CD2 4.27Å; L1711-W1825 HydrophobicContact CD1-CE3 3.88Å; L1711-W1825 HydrophobicContact CD1-CH2 4.06Å; L1711-W1825 HydrophobicContact CD1-CZ2 4.43Å; L1711-W1825 HydrophobicContact CD1-CZ3 3.77Å; L1711-W1825 HydrophobicContact CD2-CD2 3.79Å; L1711-W1825 HydrophobicContact CD2-CE3 4.26Å; L1711-W1825 HydrophobicContact CD2-CG 4.19Å; L1711-W1825 HydrophobicContact CD2-CH2 4.31Å; L1711-W1825 HydrophobicContact CD2-CZ2 3.84Å; L1711-W1825 HydrophobicContact CD2-CZ3 4.5Å; L1711-W1825 HydrophobicContact CG-CD2 4.26Å; L1711-W1825 HydrophobicContact CG-CE3 4.26Å; L1711-W1825 HydrophobicContact CG-CH2 3.83Å; L1711-W1825 HydrophobicContact CG-CZ2 3.82Å; L1711-W1825 HydrophobicContact CG-CZ3 4.06Å; A1726-W1825 HydrophobicContact CB-CH2 3.88Å; A1726-W1825 HydrophobicContact CB-CZ3 4.03Å; V1728-W1825 HydrophobicContact CG2-CE3 4.32Å; V1728-W1825 HydrophobicContact CG2-CZ3 4.07Å; F1801-W1825 HydrophobicContact CE1-CB 4.21Å; F1801-W1825 HydrophobicContact CZ-CB 4.41Å; T1814-W1825 HydrophobicContact CG2-CG 4.22Å; D1821-W1825 VanDerWaalsContact CG-CD1 3.5Å; D1821-W1825 PolarHBondContact O-N 3.12Å; D1821-W1825 VanDerWaalsContact OD2-CD1 3.3Å; D1821-W1825 PolarHBondContact OD2-NE1 2.87Å; I1822-W1825 PolarHBondContact O-N 3.22Å; W1825-Y1827 PolarHBondContact O-N 3.04Å; W1825-A1828 WeakPolarHBondContact O-CB 3.41Å; W1825-A1828 PolarHBondContact O-N 3.24Å; W1825-L1829 WeakPolarHBondContact O-CB 3.31Å; W1825-L1829 VanDerWaalsContact O-CG 3.25Å; W1825-L1829 WeakPolarHBondContact O-CG 3.49Å; W1825-L1829 PolarHBondContact O-N 3.48Å |
| 1826 | L | 87.1 | Confident | 79.5 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 173.2 | -70.2 | 170.6 | 0 | 0 | 0 | 111.2 | I1755 Y1757 F1801 I1822 A1828 L1829 N1830 A1834 I1837 | I1755-L1826 HydrophobicContact CG2-CD2 3.82Å; Y1757-L1826 HydrophobicContact CD1-CD1 4.11Å; Y1757-L1826 HydrophobicContact CD2-CD1 4.48Å; Y1757-L1826 HydrophobicContact CE1-CD1 4.37Å; Y1757-L1826 HydrophobicContact CG-CD1 4.15Å; F1801-L1826 HydrophobicContact CB-CD2 4.31Å; F1801-L1826 HydrophobicContact CG-CD2 4.26Å; I1822-L1826 HydrophobicContact CG1-CD1 4.13Å; I1822-L1826 HydrophobicContact CG1-CG 4.3Å; I1822-L1826 WeakPolarHBondContact O-CB 3.47Å; I1822-L1826 VanDerWaalsContact O-CG 3.3Å; I1822-L1826 WeakPolarHBondContact O-CG 3.48Å; I1822-L1826 PolarHBondContact O-N 3.47Å; L1826-A1828 VanDerWaalsContact C-N 3.34Å; L1826-A1828 PolarHBondContact O-N 3Å; L1826-L1829 PolarHBondContact O-N 2.99Å; L1826-N1830 CarbonylContact O-C 3.54Å; L1826-N1830 PolarHBondContact O-N 3.03Å; L1826-A1834 HydrophobicContact CB-CB 4.09Å; L1826-I1837 HydrophobicContact CD1-CD1 4.33Å |
| 1827 | Y | 86.8 | Confident | 79.3 | Confident | 137 Ų | 137 | 55.3 Ų | 55.3 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.7 | -28.8 | 178 | -167.9 | -99 | 0 | 0 | 0 | 113.2 | R1730 H1823 D1824 W1825 P1831 A1834 | R1730-Y1827 PolarHBondContact NH2-O 3.47Å; H1823-Y1827 WeakPolarHBondContact O-CB 3.38Å; H1823-Y1827 PolarHBondContact O-N 3Å; D1824-Y1827 PolarHBondContact O-N 3.21Å; W1825-Y1827 PolarHBondContact O-N 3.04Å; Y1827-P1831 HydrophobicContact CD2-CB 4.48Å; Y1827-P1831 HydrophobicContact CE2-CB 4.3Å; Y1827-A1834 HydrophobicContact CD2-CB 4.04Å |
| 1828 | A | 88.9 | Confident | 79.7 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1707 V1728 R1730 D1824 W1825 L1826 | R1707-A1828 HydrophobicContact CB-CB 3.53Å; V1728-A1828 HydrophobicContact CB-CB 4.23Å; V1728-A1828 HydrophobicContact CG1-CB 4.21Å; V1728-A1828 WeakPolarHBondContact CG1-O 3.28Å; V1728-A1828 HydrophobicContact CG2-CB 4.16Å; R1730-A1828 PolarHBondContact NE-O 3.13Å; D1824-A1828 VanDerWaalsContact O-CB 3.28Å; D1824-A1828 WeakPolarHBondContact O-CB 3.3Å; D1824-A1828 PolarHBondContact O-N 2.97Å; W1825-A1828 WeakPolarHBondContact O-CB 3.41Å; W1825-A1828 PolarHBondContact O-N 3.24Å; L1826-A1828 VanDerWaalsContact C-N 3.34Å; L1826-A1828 PolarHBondContact O-N 3Å |
| 1829 | L | 88.1 | Confident | 80 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -79.6 | -50 | -173.8 | -63.8 | 167.5 | 0 | 0 | 0 | 113.2 | V1728 L1733 L1750 I1755 F1801 W1825 L1826 | V1728-L1829 HydrophobicContact CG1-CD2 4.14Å; V1728-L1829 HydrophobicContact CG2-CD2 3.65Å; V1728-L1829 HydrophobicContact CG2-CG 4.28Å; L1733-L1829 HydrophobicContact CB-CD2 4.11Å; L1733-L1829 HydrophobicContact CD1-CD2 4.45Å; L1733-L1829 HydrophobicContact CD2-CD2 4.03Å; L1733-L1829 HydrophobicContact CG-CD2 4.42Å; L1750-L1829 HydrophobicContact CD1-CD2 3.86Å; L1750-L1829 HydrophobicContact CD2-CD2 3.83Å; I1755-L1829 HydrophobicContact CD1-CB 3.46Å; I1755-L1829 VanDerWaalsContact CD1-CB 3.46Å; I1755-L1829 HydrophobicContact CD1-CD1 4.37Å; F1801-L1829 HydrophobicContact CD2-CD1 4.47Å; F1801-L1829 HydrophobicContact CE2-CD1 3.43Å; F1801-L1829 VanDerWaalsContact CE2-CD1 3.43Å; F1801-L1829 HydrophobicContact CZ-CD1 3.58Å; W1825-L1829 WeakPolarHBondContact O-CB 3.31Å; W1825-L1829 VanDerWaalsContact O-CG 3.25Å; W1825-L1829 WeakPolarHBondContact O-CG 3.49Å; W1825-L1829 PolarHBondContact O-N 3.48Å; L1826-L1829 PolarHBondContact O-N 2.99Å |
| 1830 | N | 84.6 | Confident | 80.3 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | trans | -140 | 97.7 | 176.6 | -171.6 | -38.4 | 0 | 0 | 0 | 111.2 | I1755 L1826 L1832 K1833 A1834 | I1755-N1830 HydrophobicContact CD1-CB 3.58Å; I1755-N1830 HydrophobicContact CG1-CB 4.42Å; L1826-N1830 CarbonylContact O-C 3.54Å; L1826-N1830 PolarHBondContact O-N 3.03Å; N1830-L1832 VanDerWaalsContact C-N 3.31Å; N1830-L1832 PolarHBondContact O-N 3.04Å; N1830-L1832 PolarHBondContact OD1-N 3.22Å; N1830-K1833 HydrophobicContact CB-CB 4.23Å; N1830-K1833 PolarHBondContact O-N 3.45Å; N1830-K1833 PolarHBondContact OD1-N 3.07Å; N1830-A1834 VanDerWaalsContact O-CB 3.29Å; N1830-A1834 WeakPolarHBondContact O-CB 3.47Å; N1830-A1834 PolarHBondContact O-N 3.37Å | ||
| 1831 | P | 83.1 | Confident | 80.1 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -34.7 | -177.4 | -23.7 | 34.2 | 0 | 0 | 0 | 114 | Y1827 G1835 | Y1827-P1831 HydrophobicContact CD2-CB 4.48Å; Y1827-P1831 HydrophobicContact CE2-CB 4.3Å; P1831-G1835 PolarHBondContact O-N 3.19Å |
| 1832 | L | 79.8 | Confident | 79.5 | Confident | 149 Ų | 149 | 56.5 Ų | 56.5 | 78% | 0.78 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.8 | -50.7 | -178.4 | -65.9 | 173.4 | 0 | 0 | 0 | 109.9 | N1830 A1834 G1835 E1836 | N1830-L1832 VanDerWaalsContact C-N 3.31Å; N1830-L1832 PolarHBondContact O-N 3.04Å; N1830-L1832 PolarHBondContact OD1-N 3.22Å; L1832-A1834 VanDerWaalsContact C-N 3.35Å; L1832-A1834 PolarHBondContact O-N 3.33Å; L1832-G1835 PolarHBondContact O-N 2.98Å; L1832-E1836 WeakPolarHBondContact O-CB 3.32Å; L1832-E1836 PolarHBondContact O-N 3.45Å |
| 1833 | K | 75.8 | Confident | 78.6 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 34% | 0.335 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.2 | -35.2 | 178.4 | -153.3 | 164.2 | -169.4 | 174.4 | 0 | 111.7 | I1755 N1830 E1836 I1837 | I1755-K1833 WeakPolarHBondContact O-CD 3.01Å; I1755-K1833 WeakPolarHBondContact O-CE 3.27Å; I1755-K1833 PolarHBondContact O-NZ 3.4Å; N1830-K1833 HydrophobicContact CB-CB 4.23Å; N1830-K1833 PolarHBondContact O-N 3.45Å; N1830-K1833 PolarHBondContact OD1-N 3.07Å; K1833-E1836 PolarHBondContact O-N 3.22Å; K1833-I1837 HydrophobicContact CG-CD1 4.46Å; K1833-I1837 WeakPolarHBondContact O-CB 3.46Å; K1833-I1837 WeakPolarHBondContact O-CD1 3.42Å; K1833-I1837 WeakPolarHBondContact O-CG1 3.36Å; K1833-I1837 PolarHBondContact O-N 2.78Å |
| 1834 | A | 79.8 | Confident | 77.8 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1826 Y1827 N1830 L1832 R1838 | L1826-A1834 HydrophobicContact CB-CB 4.09Å; Y1827-A1834 HydrophobicContact CD2-CB 4.04Å; N1830-A1834 VanDerWaalsContact O-CB 3.29Å; N1830-A1834 WeakPolarHBondContact O-CB 3.47Å; N1830-A1834 PolarHBondContact O-N 3.37Å; L1832-A1834 VanDerWaalsContact C-N 3.35Å; L1832-A1834 PolarHBondContact O-N 3.33Å; A1834-R1838 WeakPolarHBondContact O-CB 3.35Å; A1834-R1838 PolarHBondContact O-N 2.87Å |
| 1835 | G | 75.4 | Confident | 76.5 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1831 L1832 R1838 S1839 | P1831-G1835 PolarHBondContact O-N 3.19Å; L1832-G1835 PolarHBondContact O-N 2.98Å; G1835-R1838 PolarHBondContact O-N 2.95Å; G1835-S1839 WeakPolarHBondContact O-CB 3.23Å; G1835-S1839 PolarHBondContact O-N 3.13Å |
| 1836 | E | 78.1 | Confident | 74.9 | Confident | 54 Ų | 54 | 79.8 Ų | 79.8 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 174.6 | -160 | -152.6 | 165.9 | 0 | 0 | 111.7 | L1832 K1833 R1838 S1839 R1840 | L1832-E1836 WeakPolarHBondContact O-CB 3.32Å; L1832-E1836 PolarHBondContact O-N 3.45Å; K1833-E1836 PolarHBondContact O-N 3.22Å; E1836-R1838 VanDerWaalsContact C-N 3.31Å; E1836-R1838 PolarHBondContact O-N 3.18Å; E1836-S1839 CarbonylContact O-C 3.59Å; E1836-S1839 WeakPolarHBondContact O-CA 3.25Å; E1836-S1839 WeakPolarHBondContact O-CB 3.31Å; E1836-S1839 PolarHBondContact O-N 2.64Å; E1836-S1839 VanDerWaalsContact O-N 3.07Å; E1836-R1840 WeakPolarHBondContact O-CG 3.35Å; E1836-R1840 PolarHBondContact O-N 3.39Å; E1836-R1840 IonicContact OE1-CZ 2.72Å; E1836-R1840 IonicContact OE1-NE 3.44Å; E1836-R1840 PolarHBondContact OE1-NE 3.06Å; E1836-R1840 IonicContact OE1-NH2 2.75Å; E1836-R1840 PolarHBondContact OE1-NH2 3.04Å |
| 1837 | I | 73.3 | Confident | 73.6 | Confident | 10 Ų | 10 | 84.1 Ų | 84.1 | 5% | 0.051 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.4 | -48.3 | 171.8 | -72.2 | 161.9 | 0 | 0 | 0 | 109.4 | Y1757 M1759 L1826 K1833 S1839 R1840 L1841 | Y1757-I1837 HydrophobicContact CD1-CD1 4Å; M1759-I1837 HydrophobicContact CG-CG1 4.44Å; M1759-I1837 HydrophobicContact SD-CG1 4.35Å; L1826-I1837 HydrophobicContact CD1-CD1 4.33Å; K1833-I1837 HydrophobicContact CG-CD1 4.46Å; K1833-I1837 WeakPolarHBondContact O-CB 3.46Å; K1833-I1837 WeakPolarHBondContact O-CD1 3.42Å; K1833-I1837 WeakPolarHBondContact O-CG1 3.36Å; K1833-I1837 PolarHBondContact O-N 2.78Å; I1837-S1839 VanDerWaalsContact C-N 3.29Å; I1837-S1839 PolarHBondContact O-N 3.27Å; I1837-R1840 PolarHBondContact O-N 3.29Å; I1837-L1841 HydrophobicContact CG2-CD1 3.64Å; I1837-L1841 HydrophobicContact CG2-CG 4.09Å; I1837-L1841 VanDerWaalsContact O-CB 3.24Å; I1837-L1841 WeakPolarHBondContact O-CB 3.38Å; I1837-L1841 WeakPolarHBondContact O-CG 3.17Å; I1837-L1841 PolarHBondContact O-N 3.35Å |
| 1838 | R | 73 | Confident | 71.9 | Confident | 198 Ų | 198 | 84.9 Ų | 84.9 | 75% | 0.747 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.5 | -35.6 | 176.5 | -172.9 | 176 | 179.4 | 178.3 | 0 | 112.7 | A1834 G1835 E1836 G1842 | A1834-R1838 WeakPolarHBondContact O-CB 3.35Å; A1834-R1838 PolarHBondContact O-N 2.87Å; G1835-R1838 PolarHBondContact O-N 2.95Å; E1836-R1838 VanDerWaalsContact C-N 3.31Å; E1836-R1838 PolarHBondContact O-N 3.18Å; R1838-G1842 PolarHBondContact O-N 3.33Å |
| 1839 | S | 73.3 | Confident | 70 | Confident | 59 Ų | 59 | 92.2 Ų | 92.2 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.4 | -48 | 175.7 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | G1835 E1836 I1837 G1842 R1843 | G1835-S1839 WeakPolarHBondContact O-CB 3.23Å; G1835-S1839 PolarHBondContact O-N 3.13Å; E1836-S1839 CarbonylContact O-C 3.59Å; E1836-S1839 WeakPolarHBondContact O-CA 3.25Å; E1836-S1839 WeakPolarHBondContact O-CB 3.31Å; E1836-S1839 PolarHBondContact O-N 2.64Å; E1836-S1839 VanDerWaalsContact O-N 3.07Å; I1837-S1839 VanDerWaalsContact C-N 3.29Å; I1837-S1839 PolarHBondContact O-N 3.27Å; S1839-G1842 PolarHBondContact O-N 2.82Å; S1839-R1843 WeakPolarHBondContact O-CG 3.43Å; S1839-R1843 PolarHBondContact O-N 2.73Å |
| 1840 | R | 69.8 | Low | 68.1 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 42% | 0.419 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.7 | -70 | -174.4 | -177.1 | -141.7 | 9.4 | 111.5 | M1759 E1836 I1837 G1842 R1843 K1844 | M1759-R1840 HydrophobicContact SD-CB 4.14Å; E1836-R1840 WeakPolarHBondContact O-CG 3.35Å; E1836-R1840 PolarHBondContact O-N 3.39Å; E1836-R1840 IonicContact OE1-CZ 2.72Å; E1836-R1840 IonicContact OE1-NE 3.44Å; E1836-R1840 PolarHBondContact OE1-NE 3.06Å; E1836-R1840 IonicContact OE1-NH2 2.75Å; E1836-R1840 PolarHBondContact OE1-NH2 3.04Å; I1837-R1840 PolarHBondContact O-N 3.29Å; R1840-G1842 VanDerWaalsContact C-N 3.34Å; R1840-G1842 PolarHBondContact O-N 3.43Å; R1840-R1843 PolarHBondContact O-N 3.01Å; R1840-K1844 PolarHBondContact O-N 2.97Å |
| 1841 | L | 68.3 | Low | 66.5 | Low | 30 Ų | 30 | 97.4 Ų | 97.4 | 16% | 0.157 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 171.9 | -70.5 | 174.6 | 0 | 0 | 0 | 111 | Y1763 I1837 K1844 R1845 | Y1763-L1841 HydrophobicContact CD2-CD2 4.47Å; Y1763-L1841 HydrophobicContact CE2-CD2 3.48Å; Y1763-L1841 VanDerWaalsContact CE2-CD2 3.48Å; Y1763-L1841 VanDerWaalsContact OH-CD2 3.25Å; Y1763-L1841 WeakPolarHBondContact OH-CD2 3.47Å; I1837-L1841 HydrophobicContact CG2-CD1 3.64Å; I1837-L1841 HydrophobicContact CG2-CG 4.09Å; I1837-L1841 VanDerWaalsContact O-CB 3.24Å; I1837-L1841 WeakPolarHBondContact O-CB 3.38Å; I1837-L1841 WeakPolarHBondContact O-CG 3.17Å; I1837-L1841 PolarHBondContact O-N 3.35Å; L1841-K1844 PolarHBondContact O-N 3.02Å; L1841-R1845 WeakPolarHBondContact O-CB 3.38Å; L1841-R1845 PolarHBondContact O-N 3.23Å |
| 1842 | G | 67.3 | Low | 64.7 | Low | 34 Ų | 34 | 102 Ų | 102 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1838 S1839 R1840 R1845 R1846 | R1838-G1842 PolarHBondContact O-N 3.33Å; S1839-G1842 PolarHBondContact O-N 2.82Å; R1840-G1842 VanDerWaalsContact C-N 3.34Å; R1840-G1842 PolarHBondContact O-N 3.43Å; G1842-R1845 PolarHBondContact O-N 2.82Å; G1842-R1846 PolarHBondContact O-N 3.3Å |
| 1843 | R | 64.8 | Low | 63.2 | Low | 175 Ų | 175 | 100.8 Ų | 100.8 | 66% | 0.66 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.9 | -50.8 | 173 | -71.1 | -179.8 | -177.7 | -165.3 | -1.3 | 111.1 | S1839 R1840 R1845 R1846 I1847 | S1839-R1843 WeakPolarHBondContact O-CG 3.43Å; S1839-R1843 PolarHBondContact O-N 2.73Å; R1840-R1843 PolarHBondContact O-N 3.01Å; R1843-R1845 VanDerWaalsContact C-N 3.26Å; R1843-R1845 PolarHBondContact O-N 3.24Å; R1843-R1846 VanDerWaalsContact O-N 3.08Å; R1843-R1846 PolarHBondContact O-N 3.02Å; R1843-I1847 WeakPolarHBondContact O-CG1 3.43Å; R1843-I1847 PolarHBondContact O-N 3.25Å |
| 1844 | K | 62.2 | Low | 61.7 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.7 | -36.2 | 173.4 | -84.3 | -171 | 174.1 | -174.2 | 0 | 112.5 | Y1763 R1840 L1841 R1848 | Y1763-K1844 HydrophobicContact CE2-CD 3.73Å; Y1763-K1844 WeakPolarHBondContact OH-CB 3.44Å; R1840-K1844 PolarHBondContact O-N 2.97Å; L1841-K1844 PolarHBondContact O-N 3.02Å; K1844-R1848 PolarHBondContact O-N 3.26Å |
| 1845 | R | 57.7 | Low | 59.8 | Low | 197 Ų | 197 | 103.7 Ų | 103.7 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.6 | -27.3 | 176.5 | -128.2 | 177.2 | -174.1 | 173.1 | 2.9 | 113.8 | L1841 G1842 R1843 K1849 | L1841-R1845 WeakPolarHBondContact O-CB 3.38Å; L1841-R1845 PolarHBondContact O-N 3.23Å; G1842-R1845 PolarHBondContact O-N 2.82Å; R1843-R1845 VanDerWaalsContact C-N 3.26Å; R1843-R1845 PolarHBondContact O-N 3.24Å; R1845-K1849 WeakPolarHBondContact O-CB 3.18Å; R1845-K1849 PolarHBondContact O-N 3.06Å |
| 1846 | R | 56.6 | Low | 57.9 | Low | 207 Ų | 207 | 106 Ų | 106 | 78% | 0.781 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.2 | -46.2 | 168.4 | -86.2 | -172.7 | 171.5 | -179.7 | -3 | 110.9 | G1842 R1843 K1849 S1850 | G1842-R1846 PolarHBondContact O-N 3.3Å; R1843-R1846 VanDerWaalsContact O-N 3.08Å; R1843-R1846 PolarHBondContact O-N 3.02Å; R1846-K1849 CarbonylContact O-C 3.45Å; R1846-K1849 WeakPolarHBondContact O-CA 3.46Å; R1846-K1849 WeakPolarHBondContact O-CB 3.45Å; R1846-K1849 PolarHBondContact O-N 3.21Å; R1846-S1850 PolarHBondContact O-N 3.44Å; R1846-S1850 PolarHBondContact O-OG 2.69Å |
| 1847 | I | 58.3 | Low | 55.5 | Low | 95 Ų | 95 | 115.3 Ų | 115.3 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.8 | -57.5 | 176.8 | -65.5 | 162.7 | 0 | 0 | 0 | 110.4 | R1843 K1849 S1850 D1851 | R1843-I1847 WeakPolarHBondContact O-CG1 3.43Å; R1843-I1847 PolarHBondContact O-N 3.25Å; I1847-K1849 PolarHBondContact O-N 3.08Å; I1847-S1850 WeakPolarHBondContact CA-OG 3.27Å; I1847-S1850 PolarHBondContact O-OG 3.29Å; I1847-S1850 PolarHBondContact O-N 2.72Å; I1847-D1851 WeakPolarHBondContact CG2-OD2 3.38Å; I1847-D1851 PolarHBondContact O-N 2.63Å; I1847-D1851 VanDerWaalsContact O-OD2 3.13Å |
| 1848 | R | 51.2 | Low | 54.6 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 58% | 0.577 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.8 | -9.8 | 174.2 | -87 | -170.3 | 172.8 | -171.1 | -1.8 | 114.5 | K1844 K1852 | K1844-R1848 PolarHBondContact O-N 3.26Å; R1848-K1852 VanDerWaalsContact O-CB 3.31Å; R1848-K1852 WeakPolarHBondContact O-CB 3.2Å; R1848-K1852 WeakPolarHBondContact O-CG 3.24Å; R1848-K1852 PolarHBondContact O-N 3.07Å |
| 1849 | K | 49 | Very low | 53.7 | Low | 156 Ų | 156 | 116.5 Ų | 116.5 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -93.2 | -34.8 | 169.6 | -93.5 | -161 | 167.8 | -162.4 | 0 | 113.6 | R1845 R1846 I1847 D1851 V1853 | R1845-K1849 WeakPolarHBondContact O-CB 3.18Å; R1845-K1849 PolarHBondContact O-N 3.06Å; R1846-K1849 CarbonylContact O-C 3.45Å; R1846-K1849 WeakPolarHBondContact O-CA 3.46Å; R1846-K1849 WeakPolarHBondContact O-CB 3.45Å; R1846-K1849 PolarHBondContact O-N 3.21Å; I1847-K1849 PolarHBondContact O-N 3.08Å; K1849-D1851 VanDerWaalsContact C-N 3.34Å; K1849-V1853 WeakPolarHBondContact O-CB 3.26Å; K1849-V1853 VanDerWaalsContact O-CG2 3.25Å; K1849-V1853 WeakPolarHBondContact O-CG2 3.34Å; K1849-V1853 PolarHBondContact O-N 2.92Å |
| 1850 | S | 48.8 | Very low | 52.6 | Low | 74 Ų | 74 | 119.7 Ų | 119.7 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.6 | -43.8 | 167.1 | 43.2 | 0 | 0 | 0 | 0 | 110 | R1846 I1847 K1852 V1853 G1854 | R1846-S1850 PolarHBondContact O-N 3.44Å; R1846-S1850 PolarHBondContact O-OG 2.69Å; I1847-S1850 WeakPolarHBondContact CA-OG 3.27Å; I1847-S1850 PolarHBondContact O-OG 3.29Å; I1847-S1850 PolarHBondContact O-N 2.72Å; S1850-K1852 PolarHBondContact O-N 2.96Å; S1850-V1853 PolarHBondContact O-N 2.95Å; S1850-G1854 PolarHBondContact O-N 3.06Å |
| 1851 | D | 50.2 | Low | 51.5 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 47% | 0.465 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.5 | -42.7 | 179.4 | -51.5 | -21 | 0 | 0 | 0 | 111.2 | I1847 K1849 G1854 A1855 | I1847-D1851 WeakPolarHBondContact CG2-OD2 3.38Å; I1847-D1851 PolarHBondContact O-N 2.63Å; I1847-D1851 VanDerWaalsContact O-OD2 3.13Å; K1849-D1851 VanDerWaalsContact C-N 3.34Å; D1851-G1854 CarbonylContact O-C 3.54Å; D1851-G1854 PolarHBondContact O-N 2.71Å; D1851-A1855 VanDerWaalsContact O-CB 3.23Å; D1851-A1855 WeakPolarHBondContact O-CB 3.33Å; D1851-A1855 PolarHBondContact O-N 2.59Å |
| 1852 | K | 45.5 | Very low | 50.5 | Low | 135 Ų | 135 | 125.9 Ų | 125.9 | 59% | 0.587 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.6 | -15.6 | 175.4 | -77.5 | -157.4 | 169.6 | -158.5 | 0 | 115 | R1848 S1850 L1856 | R1848-K1852 VanDerWaalsContact O-CB 3.31Å; R1848-K1852 WeakPolarHBondContact O-CB 3.2Å; R1848-K1852 WeakPolarHBondContact O-CG 3.24Å; R1848-K1852 PolarHBondContact O-N 3.07Å; S1850-K1852 PolarHBondContact O-N 2.96Å; K1852-L1856 HydrophobicContact CD-CD1 4.05Å; K1852-L1856 HydrophobicContact CG-CD1 4.34Å; K1852-L1856 CarbonylContact O-C 3.43Å; K1852-L1856 WeakPolarHBondContact O-CB 3.24Å; K1852-L1856 PolarHBondContact O-N 2.84Å; K1852-L1856 VanDerWaalsContact O-N 3.16Å |
| 1853 | V | 49.6 | Very low | 49.4 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -87.7 | -18.8 | 168.1 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | K1849 S1850 | K1849-V1853 WeakPolarHBondContact O-CB 3.26Å; K1849-V1853 VanDerWaalsContact O-CG2 3.25Å; K1849-V1853 WeakPolarHBondContact O-CG2 3.34Å; K1849-V1853 PolarHBondContact O-N 2.92Å; S1850-V1853 PolarHBondContact O-N 2.95Å |
| 1854 | G | 42.6 | Very low | 48.3 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -85.5 | -24.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1850 D1851 | S1850-G1854 PolarHBondContact O-N 3.06Å; D1851-G1854 CarbonylContact O-C 3.54Å; D1851-G1854 PolarHBondContact O-N 2.71Å |
| 1855 | A | 40.9 | Very low | 47.2 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -117.7 | -11.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.6 | D1851 | D1851-A1855 VanDerWaalsContact O-CB 3.23Å; D1851-A1855 WeakPolarHBondContact O-CB 3.33Å; D1851-A1855 PolarHBondContact O-N 2.59Å |
| 1856 | L | 35.1 | Very low | 46.3 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 42% | 0.419 | 65% | 0.652 | S | S | . | * | trans | -142.7 | 150.2 | -178.9 | -75.1 | 175.4 | 0 | 0 | 0 | 109.7 | K1852 | K1852-L1856 HydrophobicContact CD-CD1 4.05Å; K1852-L1856 HydrophobicContact CG-CD1 4.34Å; K1852-L1856 CarbonylContact O-C 3.43Å; K1852-L1856 WeakPolarHBondContact O-CB 3.24Å; K1852-L1856 PolarHBondContact O-N 2.84Å; K1852-L1856 VanDerWaalsContact O-N 3.16Å | ||
| 1857 | Q | 28.4 | Very low | 45.4 | Very low | 250 Ų | 250 | 118.5 Ų | 118.5 | 100% | 1.168 | 64% | 0.64 | S | S | * | * | cis | 67.3 | 0 | 15.3 | -137.6 | 175.3 | 15.1 | 0 | 0 | 114.3 |
Retrieved 1,857 of 1,857 residues in 3373.6 ms
(Link to these results)