| 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 | 46.8 | Very low | 85.8 | Confident | 176 Ų | 176 | 44.6 Ų | 44.6 | 87% | 0.867 | 27% | 0.269 | S | S | * | . | 0 | 132.5 | 0 | -60.9 | 176.6 | -176.5 | 0 | 0 | 108.7 | R340 | M1-R340 PolarHBondContact SD-NH2 3.11Š| |||
| 2 | G | 60.5 | Low | 86.7 | Confident | 66 Ų | 66 | 41 Ų | 41 | 68% | 0.68 | 25% | 0.247 | S | C | * | . | trans | -85.4 | 162.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3 | S | 79.4 | Confident | 87.4 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | trans | -93.6 | 149.1 | 160.3 | 56 | 0 | 0 | 0 | 0 | 110.1 | Q336 N337 | S3-Q336 PolarHBondContact OG-OE1 2.66Å; S3-N337 VanDerWaalsContact CA-O 3.27Å; S3-N337 WeakPolarHBondContact CA-O 3.07Å; S3-N337 WeakPolarHBondContact CB-O 3.49Å | ||
| 4 | E | 88.6 | Confident | 87.9 | Confident | 53 Ų | 53 | 43.1 Ų | 43.1 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.4 | 173.6 | -173.8 | 173 | -170.5 | 0 | 0 | 108.2 | K7 R305 N337 P339 | E4-K7 VanDerWaalsContact OE1-CE 3.24Å; E4-K7 WeakPolarHBondContact OE1-CE 3.12Å; E4-K7 IonicContact OE1-NZ 3.86Å; E4-K7 PolarHBondContact OE1-NZ 3.22Å; E4-R305 IonicContact OE2-NE 3.19Å; E4-N337 PolarHBondContact N-O 3.33Å; E4-N337 PolarHBondContact O-N 3.09Å; E4-P339 HydrophobicContact CB-CG 3.92Å; E4-P339 WeakPolarHBondContact OE2-CG 3.25Å |
| 5 | S | 91.5 | Very high | 88.1 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 144.5 | 175.8 | 50 | 0 | 0 | 0 | 0 | 111.4 | K7 I335 | S5-K7 PolarHBondContact O-N 3.36Å; S5-I335 CarbonylContact C-O 3.57Å; S5-I335 VanDerWaalsContact CA-O 3.28Å; S5-I335 WeakPolarHBondContact CA-O 3.3Å |
| 6 | V | 94.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 122.6 | 169.4 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | V8 T306 I335 N337 | V6-V8 HydrophobicContact CG1-CG2 4.44Å; V6-T306 HydrophobicContact CG1-CG2 3.96Å; V6-I335 HydrophobicContact CB-CB 4.23Å; V6-I335 HydrophobicContact CG2-CB 3.71Å; V6-I335 HydrophobicContact CG2-CD1 4.48Å; V6-I335 HydrophobicContact CG2-CG2 3.76Å; V6-I335 PolarHBondContact N-O 2.91Å; V6-N337 WeakPolarHBondContact CG2-OD1 3.24Å |
| 7 | K | 95.4 | Very high | 88.1 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 136.7 | 179.6 | -71 | 168.8 | -171.5 | 149.5 | 0 | 109.5 | E4 S5 D55 I71 T306 L307 M308 | E4-K7 VanDerWaalsContact OE1-CE 3.24Å; E4-K7 WeakPolarHBondContact OE1-CE 3.12Å; E4-K7 IonicContact OE1-NZ 3.86Å; E4-K7 PolarHBondContact OE1-NZ 3.22Å; S5-K7 PolarHBondContact O-N 3.36Å; K7-D55 WeakPolarHBondContact CA-OD2 3.48Å; K7-I71 HydrophobicContact CD-CD1 4.27Å; K7-T306 PolarHBondContact N-O 3.15Å; K7-L307 HydrophobicContact CB-CD1 4.06Å; K7-L307 CarbonylContact O-C 3.53Å; K7-L307 WeakPolarHBondContact O-CA 3.28Å; K7-M308 PolarHBondContact O-N 3.39Å |
| 8 | V | 96.4 | Very high | 88 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 124.9 | -177 | -175.3 | 0 | 0 | 0 | 0 | 110 | V6 F54 D55 M308 A329 A332 K333 | V6-V8 HydrophobicContact CG1-CG2 4.44Å; V8-F54 HydrophobicContact CB-CD1 4.25Å; V8-F54 HydrophobicContact CG1-CD1 3.77Å; V8-F54 HydrophobicContact CG1-CE1 4.02Å; V8-F54 WeakPolarHBondContact O-CB 3.45Å; V8-D55 PolarHBondContact N-OD2 3.05Å; V8-D55 PolarHBondContact O-N 2.79Å; V8-M308 HydrophobicContact CG1-CB 4.29Å; V8-M308 HydrophobicContact CG1-CG 4.37Å; V8-M308 HydrophobicContact CG1-SD 4.1Å; V8-M308 HydrophobicContact CG2-CB 4.11Å; V8-M308 HydrophobicContact CG2-SD 4.47Å; V8-A329 HydrophobicContact CG1-CB 3.7Å; V8-A332 HydrophobicContact CG2-CB 4.01Å; V8-K333 HydrophobicContact CB-CB 4.29Å; V8-K333 HydrophobicContact CB-CG 4.49Å; V8-K333 HydrophobicContact CG2-CB 3.87Å; V8-K333 HydrophobicContact CG2-CG 4.37Å |
| 9 | V | 96.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.6 | 173.2 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | G56 Y58 I71 L307 M308 I309 A310 | V9-G56 VanDerWaalsContact CA-O 3.28Å; V9-G56 WeakPolarHBondContact CA-O 3.37Å; V9-G56 WeakPolarHBondContact CB-O 3.11Å; V9-Y58 HydrophobicContact CB-CD2 4.26Å; V9-Y58 HydrophobicContact CB-CE2 3.83Å; V9-Y58 HydrophobicContact CG1-CE2 4.14Å; V9-Y58 HydrophobicContact CG2-CD2 4.39Å; V9-Y58 HydrophobicContact CG2-CE2 4.01Å; V9-I71 HydrophobicContact CG1-CB 4.3Å; V9-I71 HydrophobicContact CG1-CG1 3.86Å; V9-I71 HydrophobicContact CG1-CG2 4Å; V9-I71 HydrophobicContact CG2-CG2 4.32Å; V9-L307 HydrophobicContact CG1-CD1 4.25Å; V9-L307 HydrophobicContact CG2-CD1 4.21Å; V9-M308 PolarHBondContact N-O 2.93Å; V9-I309 HydrophobicContact CG2-CB 4.37Å; V9-I309 HydrophobicContact CG2-CG1 4Å; V9-I309 HydrophobicContact CG2-CG2 4.31Å; V9-A310 PolarHBondContact O-N 2.85Å |
| 10 | V | 97.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.1 | 175.6 | -76.1 | 0 | 0 | 0 | 0 | 111.2 | M30 C37 F54 G56 T57 Y58 A310 L312 L326 | V10-M30 HydrophobicContact CB-CE 4.08Å; V10-M30 HydrophobicContact CG2-CE 3.73Å; V10-C37 HydrophobicContact CG2-CB 4.14Å; V10-F54 HydrophobicContact CB-CD2 4.29Å; V10-F54 HydrophobicContact CB-CE2 4.43Å; V10-F54 HydrophobicContact CG1-CD1 4.37Å; V10-F54 HydrophobicContact CG1-CD2 3.77Å; V10-F54 HydrophobicContact CG1-CE1 4.21Å; V10-F54 HydrophobicContact CG1-CE2 3.55Å; V10-F54 HydrophobicContact CG1-CG 4.17Å; V10-F54 HydrophobicContact CG1-CZ 3.8Å; V10-F54 HydrophobicContact CG2-CB 4.46Å; V10-F54 HydrophobicContact CG2-CD2 3.49Å; V10-F54 VanDerWaalsContact CG2-CD2 3.49Å; V10-F54 HydrophobicContact CG2-CE2 3.96Å; V10-F54 HydrophobicContact CG2-CG 4.1Å; V10-G56 PolarHBondContact N-O 2.99Å; V10-G56 VanDerWaalsContact N-O 3.1Å; V10-T57 HydrophobicContact CG2-CG2 3.67Å; V10-Y58 PolarHBondContact O-N 2.8Å; V10-A310 CarbonylContact C-O 3.49Å; V10-A310 VanDerWaalsContact CA-O 3.31Å; V10-A310 WeakPolarHBondContact CA-O 3.32Å; V10-A310 HydrophobicContact CG1-CB 3.77Å; V10-L312 HydrophobicContact CB-CD1 4.09Å; V10-L312 HydrophobicContact CG1-CD1 4.18Å; V10-L326 HydrophobicContact CG1-CD2 3.92Å |
| 11 | R | 97.1 | Very high | 88.5 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 6% | 0.057 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 116.3 | 175 | -169.6 | 179.9 | -164.5 | 179.8 | 8.4 | 110.7 | Y58 Q62 T64 T100 A310 C311 L312 | R11-Y58 CarbonylContact C-O 3.59Å; R11-Y58 WeakPolarHBondContact CA-O 3.2Å; R11-Q62 PolarHBondContact NH2-O 3.26Å; R11-T64 PolarHBondContact NH1-OG1 2.83Å; R11-T64 PolarHBondContact NH2-OG1 3.28Å; R11-T100 WeakPolarHBondContact CD-OG1 3.41Å; R11-T100 PolarHBondContact NH1-OG1 3.39Å; R11-A310 PolarHBondContact N-O 2.81Å; R11-C311 CarbonylContact O-C 3.58Å; R11-C311 WeakPolarHBondContact O-CA 3.45Å; R11-L312 PolarHBondContact O-N 2.87Å |
| 12 | C | 96.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.9 | 171.1 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | L28 M30 Y58 Y59 | C12-L28 HydrophobicContact CB-CD1 4.37Å; C12-M30 HydrophobicContact CB-CE 3.69Å; C12-M30 HydrophobicContact CB-SD 4.19Å; C12-Y58 PolarHBondContact N-O 3.39Å; C12-Y59 HydrophobicContact CB-CD2 4.01Å; C12-Y59 HydrophobicContact CB-CE2 4.45Å; C12-Y59 CarbonylContact O-C 3.51Å |
| 13 | R | 94.9 | Very high | 92 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 14% | 0.143 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 162.5 | 172.8 | 65.3 | 149.5 | 174.7 | 68.2 | -1.8 | 111.8 | D16 E19 I60 G94 L312 P314 | R13-D16 IonicContact CZ-OD2 3.3Å; R13-D16 IonicContact NH2-OD2 2.92Å; R13-D16 PolarHBondContact NH2-OD2 3.14Å; R13-E19 IonicContact CZ-OE1 2.92Å; R13-E19 IonicContact CZ-OE2 3.74Å; R13-E19 IonicContact NH1-OE1 2.62Å; R13-E19 PolarHBondContact NH1-OE1 3.41Å; R13-E19 IonicContact NH1-OE2 2.65Å; R13-E19 PolarHBondContact NH1-OE2 2.91Å; R13-E19 VanDerWaalsContact NH2-CD 3.31Å; R13-E19 IonicContact NH2-OE1 3.79Å; R13-E19 PolarHBondContact NH2-OE1 3.2Å; R13-E19 IonicContact NH2-OE2 2.69Å; R13-E19 PolarHBondContact NH2-OE2 2.88Å; R13-I60 WeakPolarHBondContact O-CG2 3.34Å; R13-G94 PolarHBondContact NE-O 3.04Å; R13-L312 PolarHBondContact N-O 3.37Å; R13-P314 WeakPolarHBondContact O-CD 3.25Å; R13-P314 WeakPolarHBondContact O-CG 3.44Å |
| 14 | P | 94.1 | Very high | 92.5 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 47% | 0.474 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 162.4 | 162.6 | -21.2 | 32.3 | 0 | 0 | 0 | 112.2 | I60 | P14-I60 HydrophobicContact CB-CB 4.49Å; P14-I60 HydrophobicContact CG-CB 4.15Å |
| 15 | L | 92.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 57.6 Ų | 57.6 | 20% | 0.199 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 138.1 | 169.1 | -71.8 | 163.8 | 0 | 0 | 0 | 110.7 | E19 K20 M26 P314 A315 | L15-E19 WeakPolarHBondContact CA-OE2 3.41Å; L15-E19 HydrophobicContact CD2-CB 3.86Å; L15-K20 HydrophobicContact CB-CG 4.17Å; L15-K20 WeakPolarHBondContact O-CE 3.29Å; L15-K20 PolarHBondContact O-NZ 2.96Å; L15-M26 HydrophobicContact CD1-CG 4.31Å; L15-M26 HydrophobicContact CD1-SD 3.66Å; L15-M26 HydrophobicContact CD2-SD 4.17Å; L15-M26 HydrophobicContact CG-SD 3.63Å; L15-P314 HydrophobicContact CD2-CG 3.86Å; L15-P314 HydrophobicContact CG-CG 4.03Å; L15-A315 HydrophobicContact CD2-CB 3.97Å |
| 16 | D | 88.3 | Confident | 92.8 | Very high | 55 Ų | 55 | 59 Ų | 59 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 168.9 | 171 | 74.8 | 46.2 | 0 | 0 | 0 | 111.5 | R13 R18 E19 K20 | R13-D16 IonicContact CZ-OD2 3.3Å; R13-D16 IonicContact NH2-OD2 2.92Å; R13-D16 PolarHBondContact NH2-OD2 3.14Å; D16-R18 VanDerWaalsContact C-N 3.28Å; D16-R18 PolarHBondContact O-N 3.49Å; D16-R18 WeakPolarHBondContact OD1-CA 3.34Å; D16-R18 VanDerWaalsContact OD1-CB 3.29Å; D16-R18 WeakPolarHBondContact OD1-CB 3.26Å; D16-R18 PolarHBondContact OD1-N 3.31Å; D16-E19 PolarHBondContact N-OE2 3.36Å; D16-E19 PolarHBondContact O-N 3.2Å; D16-E19 WeakPolarHBondContact OD1-CG 3.44Å; D16-E19 PolarHBondContact OD1-N 2.89Å; D16-K20 WeakPolarHBondContact O-CE 3.48Å; D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.44Å; D16-K20 PolarHBondContact O-N 2.97Å |
| 17 | D | 88.1 | Confident | 92.8 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.1 | -21.3 | -174 | -59.5 | -45.6 | 0 | 0 | 0 | 113.6 | K20 T21 | D17-K20 IonicContact OD1-NZ 2.71Å; D17-K20 PolarHBondContact OD1-NZ 3.32Å; D17-T21 VanDerWaalsContact O-CB 3.29Å; D17-T21 WeakPolarHBondContact O-CB 3.38Å; D17-T21 PolarHBondContact O-N 3.43Å; D17-T21 PolarHBondContact O-OG1 3.08Å |
| 18 | R | 85.7 | Confident | 92.8 | Very high | 186 Ų | 186 | 56.9 Ų | 56.9 | 70% | 0.702 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -73.9 | -44.8 | 171.7 | 175.8 | -173.9 | 174 | -165.4 | -2.1 | 110.2 | D16 K20 T21 L22 | D16-R18 VanDerWaalsContact C-N 3.28Å; D16-R18 PolarHBondContact O-N 3.49Å; D16-R18 WeakPolarHBondContact OD1-CA 3.34Å; D16-R18 VanDerWaalsContact OD1-CB 3.29Å; D16-R18 WeakPolarHBondContact OD1-CB 3.26Å; D16-R18 PolarHBondContact OD1-N 3.31Å; R18-K20 VanDerWaalsContact C-N 3.34Å; R18-K20 PolarHBondContact O-N 3.2Å; R18-T21 PolarHBondContact O-N 3.13Å; R18-L22 HydrophobicContact CG-CD1 3.99Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 VanDerWaalsContact O-CG 3.29Å; R18-L22 WeakPolarHBondContact O-CG 3.46Å; R18-L22 PolarHBondContact O-N 3.46Å |
| 19 | E | 90.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 175.1 | -67.2 | 166.3 | 163.3 | 0 | 0 | 111.2 | R13 L15 D16 L22 G23 C24 S313 A315 N318 | R13-E19 IonicContact CZ-OE1 2.92Å; R13-E19 IonicContact CZ-OE2 3.74Å; R13-E19 IonicContact NH1-OE1 2.62Å; R13-E19 PolarHBondContact NH1-OE1 3.41Å; R13-E19 IonicContact NH1-OE2 2.65Å; R13-E19 PolarHBondContact NH1-OE2 2.91Å; R13-E19 VanDerWaalsContact NH2-CD 3.31Å; R13-E19 IonicContact NH2-OE1 3.79Å; R13-E19 PolarHBondContact NH2-OE1 3.2Å; R13-E19 IonicContact NH2-OE2 2.69Å; R13-E19 PolarHBondContact NH2-OE2 2.88Å; L15-E19 WeakPolarHBondContact CA-OE2 3.41Å; L15-E19 HydrophobicContact CD2-CB 3.86Å; D16-E19 PolarHBondContact N-OE2 3.36Å; D16-E19 PolarHBondContact O-N 3.2Å; D16-E19 WeakPolarHBondContact OD1-CG 3.44Å; D16-E19 PolarHBondContact OD1-N 2.89Å; E19-L22 PolarHBondContact O-N 2.83Å; E19-G23 PolarHBondContact O-N 3.48Å; E19-C24 HydrophobicContact CB-CB 4.11Å; E19-C24 WeakPolarHBondContact O-CB 3.13Å; E19-C24 PolarHBondContact O-N 3.29Å; E19-S313 PolarHBondContact OE1-OG 2.82Å; E19-A315 HydrophobicContact CB-CB 4.24Å; E19-A315 HydrophobicContact CG-CB 3.78Å; E19-N318 PolarHBondContact OE1-ND2 2.82Å |
| 20 | K | 91.9 | Very high | 92.5 | Very high | 113 Ų | 113 | 60.9 Ų | 60.9 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 171.5 | -67.3 | 166.9 | -146.9 | 162.3 | 0 | 112 | L15 D16 D17 R18 L22 G23 | L15-K20 HydrophobicContact CB-CG 4.17Å; L15-K20 WeakPolarHBondContact O-CE 3.29Å; L15-K20 PolarHBondContact O-NZ 2.96Å; D16-K20 WeakPolarHBondContact O-CE 3.48Å; D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.44Å; D16-K20 PolarHBondContact O-N 2.97Å; D17-K20 IonicContact OD1-NZ 2.71Å; D17-K20 PolarHBondContact OD1-NZ 3.32Å; R18-K20 VanDerWaalsContact C-N 3.34Å; R18-K20 PolarHBondContact O-N 3.2Å; K20-L22 VanDerWaalsContact C-N 3.27Å; K20-L22 PolarHBondContact O-N 2.92Å; K20-G23 PolarHBondContact O-N 3.38Å |
| 21 | T | 92.3 | Very high | 92.2 | Very high | 125 Ų | 125 | 63.3 Ų | 63.3 | 77% | 0.767 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.2 | -31.8 | 179.9 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | D17 R18 G23 | D17-T21 VanDerWaalsContact O-CB 3.29Å; D17-T21 WeakPolarHBondContact O-CB 3.38Å; D17-T21 PolarHBondContact O-N 3.43Å; D17-T21 PolarHBondContact O-OG1 3.08Å; R18-T21 PolarHBondContact O-N 3.13Å; T21-G23 VanDerWaalsContact C-N 3.29Å |
| 22 | L | 89.1 | Confident | 91.6 | Very high | 106 Ų | 106 | 64.5 Ų | 64.5 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6.5 | 174.5 | -69.7 | 170.6 | 0 | 0 | 0 | 113.6 | R18 E19 K20 C24 | R18-L22 HydrophobicContact CG-CD1 3.99Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 VanDerWaalsContact O-CG 3.29Å; R18-L22 WeakPolarHBondContact O-CG 3.46Å; R18-L22 PolarHBondContact O-N 3.46Å; E19-L22 PolarHBondContact O-N 2.83Å; K20-L22 VanDerWaalsContact C-N 3.27Å; K20-L22 PolarHBondContact O-N 2.92Å; L22-C24 VanDerWaalsContact C-N 3.3Å; L22-C24 PolarHBondContact O-N 2.96Å |
| 23 | G | 91.2 | Very high | 90.9 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 58% | 0.577 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 23.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E19 K20 T21 | E19-G23 PolarHBondContact O-N 3.48Å; K20-G23 PolarHBondContact O-N 3.38Å; T21-G23 VanDerWaalsContact C-N 3.29Å |
| 24 | C | 91.2 | Very high | 90.2 | Very high | 19 Ų | 19 | 74.6 Ų | 74.6 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 138.3 | -179.1 | -74.6 | 0 | 0 | 0 | 0 | 112.3 | E19 L22 A315 D316 | E19-C24 HydrophobicContact CB-CB 4.11Å; E19-C24 WeakPolarHBondContact O-CB 3.13Å; E19-C24 PolarHBondContact O-N 3.29Å; L22-C24 VanDerWaalsContact C-N 3.3Å; L22-C24 PolarHBondContact O-N 2.96Å; C24-A315 HydrophobicContact CB-CB 3.82Å; C24-D316 WeakPolarHBondContact CA-OD1 3.4Å; C24-D316 VanDerWaalsContact CB-OD1 3.26Å; C24-D316 WeakPolarHBondContact CB-OD1 3.33Å; C24-D316 PolarHBondContact SG-OD1 2.9Å |
| 25 | K | 92.2 | Very high | 90 | Very high | 154 Ų | 154 | 71.5 Ų | 71.5 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -91.1 | 150 | 177.2 | -61.1 | 176.3 | -177.4 | 176 | 0 | 111.4 | V27 D316 | K25-V27 PolarHBondContact O-N 3.1Å; K25-D316 WeakPolarHBondContact CB-OD2 3.48Å; K25-D316 VanDerWaalsContact N-CG 3.26Å; K25-D316 PolarHBondContact N-OD1 3.13Å; K25-D316 PolarHBondContact N-OD2 3.41Å; K25-D316 PolarHBondContact O-N 3.42Å |
| 26 | M | 93.6 | Very high | 89.9 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 38% | 0.384 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 122 | 169.8 | -61.4 | -69.9 | -68.5 | 0 | 0 | 109.7 | L15 Y59 I60 P314 | L15-M26 HydrophobicContact CD1-CG 4.31Å; L15-M26 HydrophobicContact CD1-SD 3.66Å; L15-M26 HydrophobicContact CD2-SD 4.17Å; L15-M26 HydrophobicContact CG-SD 3.63Å; M26-Y59 VanDerWaalsContact CE-OH 3.23Å; M26-Y59 WeakPolarHBondContact CE-OH 3.47Å; M26-I60 HydrophobicContact CE-CD1 4.5Å; M26-I60 HydrophobicContact CE-CG2 4.14Å; M26-P314 CarbonylContact C-O 3.58Å; M26-P314 WeakPolarHBondContact CA-O 3.41Å; M26-P314 HydrophobicContact CE-CB 3.5Å; M26-P314 HydrophobicContact CE-CG 4.1Å; M26-P314 HydrophobicContact SD-CB 3.61Å; M26-P314 HydrophobicContact SD-CG 3.87Å |
| 27 | V | 94.6 | Very high | 90.2 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | trans | -111 | -7.1 | 172.7 | -66.2 | 0 | 0 | 0 | 0 | 114.1 | K25 I39 V40 P42 P314 D316 | K25-V27 PolarHBondContact O-N 3.1Å; V27-I39 HydrophobicContact CG2-CG1 4.44Å; V27-I39 WeakPolarHBondContact O-CA 3.48Å; V27-V40 WeakPolarHBondContact CB-O 3.46Å; V27-V40 PolarHBondContact O-N 3.22Å; V27-P42 HydrophobicContact CG1-CG 4.25Å; V27-P314 WeakPolarHBondContact CG2-O 3.25Å; V27-P314 PolarHBondContact N-O 3.08Å; V27-D316 HydrophobicContact CG1-CB 3.75Å | ||
| 28 | L | 94.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.3 | 176.3 | -70.8 | 176.4 | 0 | 0 | 0 | 112.2 | C12 F38 I39 Y59 L312 S313 L326 | C12-L28 HydrophobicContact CB-CD1 4.37Å; L28-F38 WeakPolarHBondContact CA-O 3.23Å; L28-I39 HydrophobicContact CD2-CB 3.66Å; L28-I39 HydrophobicContact CD2-CD1 3.96Å; L28-I39 HydrophobicContact CD2-CG1 3.66Å; L28-I39 HydrophobicContact CG-CG1 4.48Å; L28-Y59 WeakPolarHBondContact O-CE2 3.46Å; L28-Y59 PolarHBondContact O-OH 3.28Å; L28-L312 HydrophobicContact CD1-CB 3.62Å; L28-L312 HydrophobicContact CD1-CD1 3.93Å; L28-L312 HydrophobicContact CD1-CG 4.37Å; L28-S313 WeakPolarHBondContact CD1-O 3.16Å; L28-L326 HydrophobicContact CD2-CD1 4.22Å |
| 29 | S | 93.6 | Very high | 90.9 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.6 | 165.2 | 57.1 | 0 | 0 | 0 | 0 | 109.9 | F38 | S29-F38 PolarHBondContact N-O 3.5Å; S29-F38 PolarHBondContact O-N 3.11Å |
| 30 | M | 93.8 | Very high | 91 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 14% | 0.138 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.5 | -175 | -69.5 | 176.7 | 172.3 | 0 | 0 | 110.8 | V10 C12 Q36 C37 Y59 L312 | V10-M30 HydrophobicContact CB-CE 4.08Å; V10-M30 HydrophobicContact CG2-CE 3.73Å; C12-M30 HydrophobicContact CB-CE 3.69Å; C12-M30 HydrophobicContact CB-SD 4.19Å; M30-Q36 CarbonylContact C-O 3.56Å; M30-Q36 VanDerWaalsContact CA-O 3.31Å; M30-Q36 WeakPolarHBondContact CA-O 3.41Å; M30-C37 HydrophobicContact CE-CB 4.35Å; M30-C37 VanDerWaalsContact CE-SG 3.57Å; M30-C37 HydrophobicContact CG-CB 4.21Å; M30-Y59 HydrophobicContact CB-CD2 4.13Å; M30-Y59 HydrophobicContact CB-CG 4.43Å; M30-Y59 HydrophobicContact CG-CD2 3.97Å; M30-Y59 HydrophobicContact SD-CD2 3.9Å; M30-Y59 HydrophobicContact SD-CG 4.48Å; M30-L312 HydrophobicContact CE-CD1 4.08Å |
| 31 | D | 89.6 | Confident | 90.9 | Very high | 51 Ų | 51 | 56 Ų | 56 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114.5 | 161.2 | -173.5 | -34.2 | 0 | 0 | 0 | 108 | H33 R34 C35 Q36 T57 | D31-H33 WeakPolarHBondContact OD1-CA 3.23Å; D31-H33 WeakPolarHBondContact OD1-CB 3.11Å; D31-H33 PolarHBondContact OD1-N 3.01Å; D31-R34 HydrophobicContact CB-CB 4.22Å; D31-R34 PolarHBondContact OD1-N 2.97Å; D31-R34 VanDerWaalsContact OD2-CD 3.31Å; D31-R34 WeakPolarHBondContact OD2-CD 3.48Å; D31-R34 WeakPolarHBondContact OD2-CG 3.26Å; D31-C35 WeakPolarHBondContact O-CA 3.37Å; D31-C35 PolarHBondContact O-N 2.85Å; D31-Q36 HydrophobicContact CB-CB 4.35Å; D31-Q36 PolarHBondContact N-O 3.13Å; D31-Q36 PolarHBondContact O-N 3.23Å; D31-T57 PolarHBondContact O-OG1 3.44Å |
| 32 | V | 85.9 | Confident | 90.7 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 24% | 0.242 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -23.6 | -178.2 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | T57 Q62 | V32-T57 WeakPolarHBondContact CA-OG1 3.3Å; V32-Q62 VanDerWaalsContact CG2-OE1 3.31Å |
| 33 | H | 80.9 | Confident | 90.4 | Very high | 146 Ų | 146 | 52 Ų | 52 | 68% | 0.676 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -41.1 | 178.5 | -64.6 | -88.5 | 0 | 0 | 0 | 111.3 | D31 | D31-H33 WeakPolarHBondContact OD1-CA 3.23Å; D31-H33 WeakPolarHBondContact OD1-CB 3.11Å; D31-H33 PolarHBondContact OD1-N 3.01Å |
| 34 | R | 80.9 | Confident | 90 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.2 | 177.3 | -62.7 | 178.3 | 164.8 | -92.5 | -9 | 113.8 | D31 Q36 D567 | D31-R34 HydrophobicContact CB-CB 4.22Å; D31-R34 PolarHBondContact OD1-N 2.97Å; D31-R34 VanDerWaalsContact OD2-CD 3.31Å; D31-R34 WeakPolarHBondContact OD2-CD 3.48Å; D31-R34 WeakPolarHBondContact OD2-CG 3.26Å; R34-Q36 HydrophobicContact CB-CB 4.41Å; R34-Q36 HydrophobicContact CB-CG 3.76Å; R34-Q36 PolarHBondContact O-N 2.9Å; R34-D567 IonicContact CZ-OD1 2.59Å; R34-D567 IonicContact NH1-OD1 2.68Å; R34-D567 PolarHBondContact NH1-OD1 2.84Å; R34-D567 IonicContact NH1-OD2 2.67Å; R34-D567 PolarHBondContact NH1-OD2 2.87Å; R34-D567 IonicContact NH2-OD1 3.63Å |
| 35 | C | 89.7 | Confident | 89.3 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.5 | -172.8 | -71.8 | 0 | 0 | 0 | 0 | 113.4 | D31 F54 T57 L560 | D31-C35 WeakPolarHBondContact O-CA 3.37Å; D31-C35 PolarHBondContact O-N 2.85Å; C35-F54 PolarHBondContact O-N 2.97Å; C35-T57 HydrophobicContact CB-CG2 4.39Å; C35-T57 WeakPolarHBondContact O-CG2 3.49Å; C35-L560 HydrophobicContact CB-CD1 4.37Å |
| 36 | Q | 90.5 | Very high | 88.6 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.5 | -179.1 | -63.4 | 176.3 | 7.4 | 0 | 0 | 110.9 | M30 D31 R34 F38 Q51 F52 T53 D567 | M30-Q36 CarbonylContact C-O 3.56Å; M30-Q36 VanDerWaalsContact CA-O 3.31Å; M30-Q36 WeakPolarHBondContact CA-O 3.41Å; D31-Q36 HydrophobicContact CB-CB 4.35Å; D31-Q36 PolarHBondContact N-O 3.13Å; D31-Q36 PolarHBondContact O-N 3.23Å; R34-Q36 HydrophobicContact CB-CB 4.41Å; R34-Q36 HydrophobicContact CB-CG 3.76Å; R34-Q36 PolarHBondContact O-N 2.9Å; Q36-F38 HydrophobicContact CB-CE2 3.82Å; Q36-F38 HydrophobicContact CB-CZ 4.04Å; Q36-Q51 VanDerWaalsContact CD-NE2 3.27Å; Q36-F52 CarbonylContact C-O 3.52Å; Q36-F52 WeakPolarHBondContact CA-O 3.41Å; Q36-T53 HydrophobicContact CG-CG2 4.15Å; Q36-D567 PolarHBondContact NE2-OD2 3.18Å |
| 37 | C | 93.9 | Very high | 88 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | V10 M30 Q51 F52 F54 T57 L326 | V10-C37 HydrophobicContact CG2-CB 4.14Å; M30-C37 HydrophobicContact CE-CB 4.35Å; M30-C37 VanDerWaalsContact CE-SG 3.57Å; M30-C37 HydrophobicContact CG-CB 4.21Å; C37-Q51 CarbonylContact O-C 3.26Å; C37-Q51 WeakPolarHBondContact O-CA 3.46Å; C37-F52 PolarHBondContact N-O 3.33Å; C37-F52 PolarHBondContact O-N 3.12Å; C37-F54 HydrophobicContact CB-CD2 4.29Å; C37-F54 HydrophobicContact CB-CE2 4.17Å; C37-T57 HydrophobicContact CB-CG2 4.43Å; C37-L326 HydrophobicContact CB-CD2 4.31Å |
| 38 | F | 94.1 | Very high | 87.4 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 20% | 0.197 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.9 | -177.3 | -58.9 | -90.4 | 0 | 0 | 0 | 110 | L28 S29 Q36 P49 K50 Q51 | L28-F38 WeakPolarHBondContact CA-O 3.23Å; S29-F38 PolarHBondContact N-O 3.5Å; S29-F38 PolarHBondContact O-N 3.11Å; Q36-F38 HydrophobicContact CB-CE2 3.82Å; Q36-F38 HydrophobicContact CB-CZ 4.04Å; F38-P49 HydrophobicContact CB-CB 4.35Å; F38-K50 WeakPolarHBondContact CA-O 3.32Å; F38-Q51 HydrophobicContact CD1-CB 3.86Å; F38-Q51 HydrophobicContact CD1-CG 4.01Å; F38-Q51 HydrophobicContact CE1-CB 3.78Å; F38-Q51 HydrophobicContact CE1-CG 3.52Å; F38-Q51 HydrophobicContact CZ-CG 4.03Å |
| 39 | I | 94.3 | Very high | 87 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.1 | 174.8 | -165.5 | 176.4 | 0 | 0 | 0 | 111.7 | V27 L28 P49 K50 F52 Y319 L323 L326 | V27-I39 HydrophobicContact CG2-CG1 4.44Å; V27-I39 WeakPolarHBondContact O-CA 3.48Å; L28-I39 HydrophobicContact CD2-CB 3.66Å; L28-I39 HydrophobicContact CD2-CD1 3.96Å; L28-I39 HydrophobicContact CD2-CG1 3.66Å; L28-I39 HydrophobicContact CG-CG1 4.48Å; I39-P49 WeakPolarHBondContact O-CA 3.23Å; I39-K50 HydrophobicContact CG2-CB 3.83Å; I39-K50 PolarHBondContact N-O 3.08Å; I39-K50 PolarHBondContact O-N 3.05Å; I39-F52 HydrophobicContact CG2-CE2 4.06Å; I39-Y319 HydrophobicContact CD1-CD2 3.57Å; I39-Y319 HydrophobicContact CD1-CE2 3.82Å; I39-Y319 HydrophobicContact CD1-CG 4.47Å; I39-Y319 HydrophobicContact CG1-CD2 3.7Å; I39-Y319 HydrophobicContact CG1-CE2 3.76Å; I39-Y319 HydrophobicContact CG2-CE2 4.47Å; I39-L323 HydrophobicContact CD1-CB 4.23Å; I39-L323 HydrophobicContact CG2-CD1 4.29Å; I39-L326 HydrophobicContact CB-CD1 4.03Å; I39-L326 HydrophobicContact CD1-CD1 4.13Å; I39-L326 HydrophobicContact CG2-CD1 3.91Å |
| 40 | V | 92.9 | Very high | 86.8 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 134.5 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | V27 P49 Y319 | V27-V40 WeakPolarHBondContact CB-O 3.46Å; V27-V40 PolarHBondContact O-N 3.22Å; V40-P49 HydrophobicContact CG2-CB 4.17Å; V40-Y319 VanDerWaalsContact O-CD2 3.22Å; V40-Y319 WeakPolarHBondContact O-CD2 3.43Å; V40-Y319 WeakPolarHBondContact O-CE2 3.5Å |
| 41 | K | 89.6 | Confident | 86.7 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 121.3 | 179.3 | -173.1 | 177.5 | -174 | 174.1 | 0 | 110.7 | G43 A44 E47 Y319 D609 | K41-G43 PolarHBondContact O-N 3.48Å; K41-A44 HydrophobicContact CB-CB 4.05Å; K41-A44 HydrophobicContact CD-CB 3.83Å; K41-A44 HydrophobicContact CG-CB 3.94Å; K41-A44 PolarHBondContact O-N 3.36Å; K41-E47 WeakPolarHBondContact CD-OE2 3.43Å; K41-E47 IonicContact NZ-OE1 3.8Å; K41-E47 PolarHBondContact NZ-OE1 3.27Å; K41-E47 IonicContact NZ-OE2 2.73Å; K41-E47 PolarHBondContact NZ-OE2 2.99Å; K41-Y319 VanDerWaalsContact CA-CE2 3.5Å; K41-Y319 HydrophobicContact CB-CE1 4.46Å; K41-Y319 HydrophobicContact CB-CE2 4.02Å; K41-Y319 HydrophobicContact CG-CE1 4.05Å; K41-Y319 HydrophobicContact CG-CE2 4.48Å; K41-D609 IonicContact NZ-OD1 2.66Å; K41-D609 PolarHBondContact NZ-OD1 2.95Å; K41-D609 IonicContact NZ-OD2 3.6Å; K41-D609 PolarHBondContact NZ-OD2 3.49Å |
| 42 | P | 88.3 | Confident | 86.8 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 129.1 | 180 | -27.8 | 34.5 | 0 | 0 | 0 | 112.7 | V27 A44 D316 Y319 | V27-P42 HydrophobicContact CG1-CG 4.25Å; P42-A44 PolarHBondContact O-N 3.18Å; P42-D316 HydrophobicContact CB-CB 4.44Å; P42-D316 HydrophobicContact CG-CB 3.93Å; P42-Y319 VanDerWaalsContact CD-CG 3.46Å; P42-Y319 HydrophobicContact CG-CG 4.15Å |
| 43 | G | 83.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 85% | 0.845 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -13.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | K41 V45 | K41-G43 PolarHBondContact O-N 3.48Å; G43-V45 PolarHBondContact O-N 2.94Å |
| 44 | A | 82.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -96.4 | 65.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K41 P42 E46 E47 | K41-A44 HydrophobicContact CB-CB 4.05Å; K41-A44 HydrophobicContact CD-CB 3.83Å; K41-A44 HydrophobicContact CG-CB 3.94Å; K41-A44 PolarHBondContact O-N 3.36Å; P42-A44 PolarHBondContact O-N 3.18Å; A44-E46 PolarHBondContact O-N 3.05Å; A44-E46 VanDerWaalsContact O-N 3.13Å; A44-E47 HydrophobicContact CB-CB 4.08Å; A44-E47 HydrophobicContact CB-CG 4Å; A44-E47 PolarHBondContact O-N 3.45Å | ||
| 45 | V | 74.8 | Confident | 88.3 | Confident | 143 Ų | 143 | 51.6 Ų | 51.6 | 87% | 0.867 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.6 | -172.3 | -172.5 | 0 | 0 | 0 | 0 | 113.8 | G43 | G43-V45 PolarHBondContact O-N 2.94Š|
| 46 | E | 77.4 | Confident | 88.4 | Confident | 173 Ų | 173 | 51.4 Ų | 51.4 | 81% | 0.808 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.8 | 176.8 | -61.7 | -174.2 | -177.2 | 0 | 0 | 114.6 | A44 K601 | A44-E46 PolarHBondContact O-N 3.05Å; A44-E46 VanDerWaalsContact O-N 3.13Å; E46-K601 PolarHBondContact O-NZ 3.06Å |
| 47 | E | 81.6 | Confident | 88.6 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -88.2 | 127.6 | 172.4 | -68.7 | -171.5 | -147.3 | 0 | 0 | 109.5 | K41 A44 L605 | K41-E47 WeakPolarHBondContact CD-OE2 3.43Å; K41-E47 IonicContact NZ-OE1 3.8Å; K41-E47 PolarHBondContact NZ-OE1 3.27Å; K41-E47 IonicContact NZ-OE2 2.73Å; K41-E47 PolarHBondContact NZ-OE2 2.99Å; A44-E47 HydrophobicContact CB-CB 4.08Å; A44-E47 HydrophobicContact CB-CG 4Å; A44-E47 PolarHBondContact O-N 3.45Å; E47-L605 HydrophobicContact CB-CD1 4.41Å; E47-L605 HydrophobicContact CG-CD1 4.14Å; E47-L605 HydrophobicContact CG-CD2 4.31Å |
| 48 | P | 82.3 | Confident | 88.6 | Confident | 57 Ų | 57 | 51 Ų | 51 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 151.3 | 176.4 | 29 | -34.6 | 0 | 0 | 0 | 111 | A602 L605 | P48-A602 HydrophobicContact CG-CB 4.35Å; P48-L605 HydrophobicContact CG-CD1 4.42Å |
| 49 | P | 86.9 | Confident | 88.6 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 141.3 | 175.1 | 25.7 | -34.1 | 0 | 0 | 0 | 111 | F38 I39 V40 | F38-P49 HydrophobicContact CB-CB 4.35Å; I39-P49 WeakPolarHBondContact O-CA 3.23Å; V40-P49 HydrophobicContact CG2-CB 4.17Å |
| 50 | K | 89.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 13% | 0.13 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 124.4 | 173.4 | -66 | 171.6 | -178.2 | 166.6 | 0 | 108.8 | F38 I39 F52 Y319 L323 D609 | F38-K50 WeakPolarHBondContact CA-O 3.32Å; I39-K50 HydrophobicContact CG2-CB 3.83Å; I39-K50 PolarHBondContact N-O 3.08Å; I39-K50 PolarHBondContact O-N 3.05Å; K50-F52 HydrophobicContact CB-CE2 3.93Å; K50-F52 HydrophobicContact CB-CZ 4.42Å; K50-Y319 PolarHBondContact NZ-OH 3.3Å; K50-Y319 VanDerWaalsContact NZ-OH 3.09Å; K50-L323 HydrophobicContact CD-CD1 3.67Å; K50-L323 VanDerWaalsContact NZ-CD2 3.32Å; K50-D609 VanDerWaalsContact CE-OD2 3.24Å; K50-D609 WeakPolarHBondContact CE-OD2 2.93Å; K50-D609 IonicContact NZ-OD2 3.63Å; K50-D609 PolarHBondContact NZ-OD2 3.26Å |
| 51 | Q | 90.8 | Very high | 88.4 | Confident | 103 Ų | 103 | 57 Ų | 57 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.9 | -177.8 | 178.9 | -179 | -15.1 | 0 | 0 | 110.7 | Q36 C37 F38 | Q36-Q51 VanDerWaalsContact CD-NE2 3.27Å; C37-Q51 CarbonylContact O-C 3.26Å; C37-Q51 WeakPolarHBondContact O-CA 3.46Å; F38-Q51 HydrophobicContact CD1-CB 3.86Å; F38-Q51 HydrophobicContact CD1-CG 4.01Å; F38-Q51 HydrophobicContact CE1-CB 3.78Å; F38-Q51 HydrophobicContact CE1-CG 3.52Å; F38-Q51 HydrophobicContact CZ-CG 4.03Å |
| 52 | F | 92.5 | Very high | 88.5 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.5 | 175.6 | -59.8 | -89.1 | 0 | 0 | 0 | 110.1 | Q36 C37 I39 K50 F54 L323 L326 R327 N330 | Q36-F52 CarbonylContact C-O 3.52Å; Q36-F52 WeakPolarHBondContact CA-O 3.41Å; C37-F52 PolarHBondContact N-O 3.33Å; C37-F52 PolarHBondContact O-N 3.12Å; I39-F52 HydrophobicContact CG2-CE2 4.06Å; K50-F52 HydrophobicContact CB-CE2 3.93Å; K50-F52 HydrophobicContact CB-CZ 4.42Å; F52-F54 HydrophobicContact CB-CD2 4.28Å; F52-F54 HydrophobicContact CB-CE2 3.41Å; F52-F54 VanDerWaalsContact CB-CE2 3.41Å; F52-F54 HydrophobicContact CB-CZ 3.75Å; F52-F54 HydrophobicContact CG-CE2 4.38Å; F52-F54 HydrophobicContact CG-CZ 4.42Å; F52-L323 HydrophobicContact CE2-CD1 4.33Å; F52-L323 HydrophobicContact CZ-CD1 4.05Å; F52-L326 HydrophobicContact CD1-CB 4.49Å; F52-L326 HydrophobicContact CD2-CB 3.99Å; F52-L326 HydrophobicContact CD2-CD1 4Å; F52-L326 HydrophobicContact CD2-CD2 4.13Å; F52-L326 HydrophobicContact CD2-CG 4.27Å; F52-L326 HydrophobicContact CE1-CB 4.34Å; F52-L326 HydrophobicContact CE2-CB 3.82Å; F52-L326 HydrophobicContact CE2-CD1 3.93Å; F52-L326 HydrophobicContact CE2-CG 4.37Å; F52-L326 HydrophobicContact CG-CB 4.32Å; F52-L326 HydrophobicContact CG-CD2 4.4Å; F52-L326 HydrophobicContact CZ-CB 4.01Å; F52-R327 HydrophobicContact CE1-CG 4.14Å; F52-R327 HydrophobicContact CZ-CG 4.1Å; F52-N330 HydrophobicContact CD1-CB 4.04Å; F52-N330 HydrophobicContact CE1-CB 4.5Å |
| 53 | T | 91.6 | Very high | 88.8 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 29% | 0.288 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.4 | -176.6 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | Q36 K333 | Q36-T53 HydrophobicContact CG-CG2 4.15Å; T53-K333 PolarHBondContact O-NZ 2.79Å |
| 54 | F | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -107.5 | -176.1 | -171.6 | -68.1 | -70.8 | 0 | 0 | 0 | 112.1 | V8 V10 C35 C37 F52 G56 L326 A329 N330 K333 | V8-F54 HydrophobicContact CB-CD1 4.25Å; V8-F54 HydrophobicContact CG1-CD1 3.77Å; V8-F54 HydrophobicContact CG1-CE1 4.02Å; V8-F54 WeakPolarHBondContact O-CB 3.45Å; V10-F54 HydrophobicContact CB-CD2 4.29Å; V10-F54 HydrophobicContact CB-CE2 4.43Å; V10-F54 HydrophobicContact CG1-CD1 4.37Å; V10-F54 HydrophobicContact CG1-CD2 3.77Å; V10-F54 HydrophobicContact CG1-CE1 4.21Å; V10-F54 HydrophobicContact CG1-CE2 3.55Å; V10-F54 HydrophobicContact CG1-CG 4.17Å; V10-F54 HydrophobicContact CG1-CZ 3.8Å; V10-F54 HydrophobicContact CG2-CB 4.46Å; V10-F54 HydrophobicContact CG2-CD2 3.49Å; V10-F54 VanDerWaalsContact CG2-CD2 3.49Å; V10-F54 HydrophobicContact CG2-CE2 3.96Å; V10-F54 HydrophobicContact CG2-CG 4.1Å; C35-F54 PolarHBondContact O-N 2.97Å; C37-F54 HydrophobicContact CB-CD2 4.29Å; C37-F54 HydrophobicContact CB-CE2 4.17Å; F52-F54 HydrophobicContact CB-CD2 4.28Å; F52-F54 HydrophobicContact CB-CE2 3.41Å; F52-F54 VanDerWaalsContact CB-CE2 3.41Å; F52-F54 HydrophobicContact CB-CZ 3.75Å; F52-F54 HydrophobicContact CG-CE2 4.38Å; F52-F54 HydrophobicContact CG-CZ 4.42Å; F54-G56 VanDerWaalsContact C-N 3.26Å; F54-L326 HydrophobicContact CE2-CD2 3.6Å; F54-L326 HydrophobicContact CZ-CD2 3.83Å; F54-A329 HydrophobicContact CE1-CB 3.62Å; F54-A329 HydrophobicContact CZ-CB 4.02Å; F54-N330 HydrophobicContact CE1-CB 4.49Å; F54-K333 PolarHBondContact O-NZ 3.35Å | ||
| 55 | D | 92.1 | Very high | 89.8 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -89.6 | 3.5 | 172.8 | -50.6 | -55.1 | 0 | 0 | 0 | 111.9 | K7 V8 K333 L560 | K7-D55 WeakPolarHBondContact CA-OD2 3.48Å; V8-D55 PolarHBondContact N-OD2 3.05Å; V8-D55 PolarHBondContact O-N 2.79Å; D55-K333 WeakPolarHBondContact OD1-CE 3.31Å; D55-K333 IonicContact OD1-NZ 2.83Å; D55-K333 PolarHBondContact OD1-NZ 3.03Å; D55-K333 WeakPolarHBondContact OD2-CE 3.48Å; D55-L560 WeakPolarHBondContact O-CD2 3.4Å |
| 56 | G | 92.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | trans | 175.2 | 137.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V9 V10 F54 | V9-G56 VanDerWaalsContact CA-O 3.28Å; V9-G56 WeakPolarHBondContact CA-O 3.37Å; V9-G56 WeakPolarHBondContact CB-O 3.11Å; V10-G56 PolarHBondContact N-O 2.99Å; V10-G56 VanDerWaalsContact N-O 3.1Å; F54-G56 VanDerWaalsContact C-N 3.26Å | ||
| 57 | T | 94.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.3 | 175.1 | 52 | 0 | 0 | 0 | 0 | 110.5 | V10 D31 V32 C35 C37 Q62 | V10-T57 HydrophobicContact CG2-CG2 3.67Å; D31-T57 PolarHBondContact O-OG1 3.44Å; V32-T57 WeakPolarHBondContact CA-OG1 3.3Å; C35-T57 HydrophobicContact CB-CG2 4.39Å; C35-T57 WeakPolarHBondContact O-CG2 3.49Å; C37-T57 HydrophobicContact CB-CG2 4.43Å; T57-Q62 PolarHBondContact O-NE2 3.31Å; T57-Q62 VanDerWaalsContact O-NE2 3.08Å |
| 58 | Y | 95.1 | Very high | 92 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 106.4 | -177.5 | -58.2 | -84.1 | 0 | 0 | 0 | 110 | V9 V10 R11 C12 Q62 L67 E70 | V9-Y58 HydrophobicContact CB-CD2 4.26Å; V9-Y58 HydrophobicContact CB-CE2 3.83Å; V9-Y58 HydrophobicContact CG1-CE2 4.14Å; V9-Y58 HydrophobicContact CG2-CD2 4.39Å; V9-Y58 HydrophobicContact CG2-CE2 4.01Å; V10-Y58 PolarHBondContact O-N 2.8Å; R11-Y58 CarbonylContact C-O 3.59Å; R11-Y58 WeakPolarHBondContact CA-O 3.2Å; C12-Y58 PolarHBondContact N-O 3.39Å; Y58-Q62 HydrophobicContact CD1-CB 4.17Å; Y58-L67 HydrophobicContact CD1-CB 3.98Å; Y58-L67 HydrophobicContact CD1-CD1 4.47Å; Y58-L67 HydrophobicContact CD1-CG 4.4Å; Y58-L67 HydrophobicContact CD2-CD1 3.75Å; Y58-L67 HydrophobicContact CD2-CG 4.05Å; Y58-L67 VanDerWaalsContact CE1-CA 3.46Å; Y58-L67 HydrophobicContact CE1-CB 3.77Å; Y58-L67 HydrophobicContact CE1-CG 4.18Å; Y58-L67 HydrophobicContact CE2-CB 4.31Å; Y58-L67 HydrophobicContact CE2-CD1 4.01Å; Y58-L67 HydrophobicContact CE2-CG 3.79Å; Y58-L67 HydrophobicContact CG-CB 4.36Å; Y58-L67 HydrophobicContact CG-CD1 4.01Å; Y58-L67 HydrophobicContact CG-CG 4.35Å; Y58-E70 WeakPolarHBondContact CE1-OE2 3.41Å |
| 59 | Y | 94.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | trans | -90.3 | -177.1 | 180 | -159.7 | -122 | 0 | 0 | 0 | 112 | C12 M26 L28 M30 N61 Q62 | C12-Y59 HydrophobicContact CB-CD2 4.01Å; C12-Y59 HydrophobicContact CB-CE2 4.45Å; C12-Y59 CarbonylContact O-C 3.51Å; M26-Y59 VanDerWaalsContact CE-OH 3.23Å; M26-Y59 WeakPolarHBondContact CE-OH 3.47Å; L28-Y59 WeakPolarHBondContact O-CE2 3.46Å; L28-Y59 PolarHBondContact O-OH 3.28Å; M30-Y59 HydrophobicContact CB-CD2 4.13Å; M30-Y59 HydrophobicContact CB-CG 4.43Å; M30-Y59 HydrophobicContact CG-CD2 3.97Å; M30-Y59 HydrophobicContact SD-CD2 3.9Å; M30-Y59 HydrophobicContact SD-CG 4.48Å; Y59-N61 PolarHBondContact O-N 2.86Å; Y59-Q62 PolarHBondContact O-N 3.42Å | ||
| 60 | I | 93 | Very high | 92.4 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.7 | -167.1 | 72 | -177.3 | 0 | 0 | 0 | 115.4 | R13 P14 M26 | R13-I60 WeakPolarHBondContact O-CG2 3.34Å; P14-I60 HydrophobicContact CB-CB 4.49Å; P14-I60 HydrophobicContact CG-CB 4.15Å; M26-I60 HydrophobicContact CE-CD1 4.5Å; M26-I60 HydrophobicContact CE-CG2 4.14Å |
| 61 | N | 89.8 | Confident | 92.4 | Very high | 123 Ų | 123 | 34.9 Ų | 34.9 | 66% | 0.658 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101 | -7.9 | -177.7 | 60.1 | -30.7 | 0 | 0 | 0 | 114.1 | Y59 | Y59-N61 PolarHBondContact O-N 2.86Š|
| 62 | Q | 91.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 30 Ų | 30 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | trans | -90.3 | 137.6 | -176.5 | -76.2 | 157.9 | -87 | 0 | 0 | 113 | R11 V32 T57 Y58 Y59 Q66 | R11-Q62 PolarHBondContact NH2-O 3.26Å; V32-Q62 VanDerWaalsContact CG2-OE1 3.31Å; T57-Q62 PolarHBondContact O-NE2 3.31Å; T57-Q62 VanDerWaalsContact O-NE2 3.08Å; Y58-Q62 HydrophobicContact CD1-CB 4.17Å; Y59-Q62 PolarHBondContact O-N 3.42Å; Q62-Q66 VanDerWaalsContact CA-OE1 3.26Å | ||
| 63 | T | 93.8 | Very high | 92.6 | Very high | 25 Ų | 25 | 29.7 Ų | 29.7 | 15% | 0.153 | 15% | 0.151 | C | C | . | . | trans | -86.3 | 157.8 | -174.6 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | E65 Q66 L67 T109 | T63-E65 PolarHBondContact O-N 2.97Å; T63-Q66 PolarHBondContact O-N 3.47Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.5Å; T63-Q66 PolarHBondContact OG1-N 3.31Å; T63-L67 PolarHBondContact O-N 3.43Å; T63-T109 WeakPolarHBondContact CB-O 3.24Å | ||
| 64 | T | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.9 | -25.2 | 174.2 | -45.9 | 0 | 0 | 0 | 0 | 111.7 | R11 Y68 T100 T109 Q110 K111 V113 | R11-T64 PolarHBondContact NH1-OG1 2.83Å; R11-T64 PolarHBondContact NH2-OG1 3.28Å; T64-Y68 WeakPolarHBondContact O-CB 3.4Å; T64-Y68 PolarHBondContact O-N 2.8Å; T64-T100 HydrophobicContact CG2-CG2 4.36Å; T64-T109 PolarHBondContact N-O 2.89Å; T64-Q110 PolarHBondContact OG1-OE1 2.99Å; T64-Q110 VanDerWaalsContact OG1-OE1 3.13Å; T64-K111 WeakPolarHBondContact CB-O 3.48Å; T64-K111 WeakPolarHBondContact CG2-O 3.26Å; T64-V113 HydrophobicContact CG2-CG2 4.43Å |
| 65 | E | 93.4 | Very high | 92.6 | Very high | 57 Ų | 57 | 30.2 Ų | 30.2 | 27% | 0.266 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 169.8 | -178.3 | 158.1 | -143.2 | 0 | 0 | 113.6 | T63 Y68 N69 T109 R116 | T63-E65 PolarHBondContact O-N 2.97Å; E65-Y68 PolarHBondContact O-N 3.37Å; E65-N69 WeakPolarHBondContact O-CB 3.26Å; E65-N69 VanDerWaalsContact O-CG 3.24Å; E65-N69 PolarHBondContact O-N 2.9Å; E65-N69 PolarHBondContact O-ND2 2.81Å; E65-T109 WeakPolarHBondContact CB-O 3.26Å; E65-T109 PolarHBondContact N-O 3.48Å; E65-R116 IonicContact OE1-NH1 2.77Å |
| 66 | Q | 91.6 | Very high | 92.7 | Very high | 82 Ų | 82 | 28.7 Ų | 28.7 | 38% | 0.383 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.2 | -49.6 | 176.5 | -73.6 | 165.1 | -25.9 | 0 | 0 | 110.2 | Q62 T63 Y68 N69 E70 | Q62-Q66 VanDerWaalsContact CA-OE1 3.26Å; T63-Q66 PolarHBondContact O-N 3.47Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.5Å; T63-Q66 PolarHBondContact OG1-N 3.31Å; Q66-Y68 VanDerWaalsContact C-N 3.3Å; Q66-Y68 PolarHBondContact O-N 3.47Å; Q66-N69 PolarHBondContact O-N 2.66Å; Q66-E70 WeakPolarHBondContact O-CB 3.18Å; Q66-E70 VanDerWaalsContact O-CG 3.27Å; Q66-E70 WeakPolarHBondContact O-CG 3.23Å; Q66-E70 PolarHBondContact O-N 2.98Å |
| 67 | L | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56 | -43.6 | 175.7 | -174 | 158 | 0 | 0 | 0 | 112.2 | Y58 T63 I71 T100 V113 I309 | Y58-L67 HydrophobicContact CD1-CB 3.98Å; Y58-L67 HydrophobicContact CD1-CD1 4.47Å; Y58-L67 HydrophobicContact CD1-CG 4.4Å; Y58-L67 HydrophobicContact CD2-CD1 3.75Å; Y58-L67 HydrophobicContact CD2-CG 4.05Å; Y58-L67 VanDerWaalsContact CE1-CA 3.46Å; Y58-L67 HydrophobicContact CE1-CB 3.77Å; Y58-L67 HydrophobicContact CE1-CG 4.18Å; Y58-L67 HydrophobicContact CE2-CB 4.31Å; Y58-L67 HydrophobicContact CE2-CD1 4.01Å; Y58-L67 HydrophobicContact CE2-CG 3.79Å; Y58-L67 HydrophobicContact CG-CB 4.36Å; Y58-L67 HydrophobicContact CG-CD1 4.01Å; Y58-L67 HydrophobicContact CG-CG 4.35Å; T63-L67 PolarHBondContact O-N 3.43Å; L67-I71 HydrophobicContact CD2-CG2 4.45Å; L67-I71 WeakPolarHBondContact O-CG2 3.31Å; L67-I71 PolarHBondContact O-N 3.05Å; L67-T100 HydrophobicContact CD1-CG2 4.08Å; L67-T100 HydrophobicContact CD2-CG2 4.38Å; L67-V113 HydrophobicContact CD2-CG2 4.07Å; L67-I309 HydrophobicContact CD1-CG2 4.37Å; L67-I309 HydrophobicContact CD2-CD1 3.96Å |
| 68 | Y | 95.2 | Very high | 92.6 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -63.3 | -50.6 | 178.6 | -171.9 | -89.4 | 0 | 0 | 0 | 111.8 | T64 E65 Q66 E70 A72 Y73 I76 V113 R116 A117 H120 | T64-Y68 WeakPolarHBondContact O-CB 3.4Å; T64-Y68 PolarHBondContact O-N 2.8Å; E65-Y68 PolarHBondContact O-N 3.37Å; Q66-Y68 VanDerWaalsContact C-N 3.3Å; Q66-Y68 PolarHBondContact O-N 3.47Å; Y68-E70 PolarHBondContact O-N 2.94Å; Y68-A72 HydrophobicContact CD2-CB 3.75Å; Y68-A72 HydrophobicContact CE2-CB 4.01Å; Y68-A72 HydrophobicContact CG-CB 4.25Å; Y68-A72 CarbonylContact O-C 3.58Å; Y68-A72 WeakPolarHBondContact O-CB 3.47Å; Y68-A72 PolarHBondContact O-N 2.91Å; Y68-A72 VanDerWaalsContact O-N 3.11Å; Y68-Y73 HydrophobicContact CE1-CD2 4.3Å; Y68-Y73 PolarHBondContact O-N 2.9Å; Y68-I76 HydrophobicContact CE2-CD1 4.04Å; Y68-V113 HydrophobicContact CD2-CB 4.4Å; Y68-V113 HydrophobicContact CD2-CG1 4.12Å; Y68-V113 HydrophobicContact CD2-CG2 4.4Å; Y68-V113 HydrophobicContact CE2-CG1 4.22Å; Y68-R116 HydrophobicContact CD1-CB 4.02Å; Y68-R116 HydrophobicContact CD2-CB 3.58Å; Y68-R116 HydrophobicContact CD2-CG 4.45Å; Y68-R116 HydrophobicContact CE1-CB 4.07Å; Y68-R116 HydrophobicContact CE2-CB 3.63Å; Y68-R116 HydrophobicContact CG-CB 3.8Å; Y68-R116 HydrophobicContact CG-CG 4.32Å; Y68-R116 PolarHBondContact OH-O 3.35Å; Y68-A117 HydrophobicContact CE2-CB 4.45Å; Y68-H120 HydrophobicContact CE1-CB 4.47Å; Y68-H120 AromaticContact CZ-ND1 3.96Å; Y68-H120 WeakPolarHBondContact OH-CB 3.39Å; Y68-H120 PolarHBondContact OH-ND1 2.93Å |
| 69 | N | 90.8 | Very high | 92.6 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -68.3 | -32.5 | -175.7 | -65.3 | -19.9 | 0 | 0 | 0 | 112.9 | E65 Q66 | E65-N69 WeakPolarHBondContact O-CB 3.26Å; E65-N69 VanDerWaalsContact O-CG 3.24Å; E65-N69 PolarHBondContact O-N 2.9Å; E65-N69 PolarHBondContact O-ND2 2.81Å; Q66-N69 PolarHBondContact O-N 2.66Å |
| 70 | E | 87 | Confident | 92.4 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -82.5 | -40.8 | -175.7 | -67.6 | -174.5 | 147.1 | 0 | 0 | 113.6 | Y58 Q66 Y68 F552 R556 | Y58-E70 WeakPolarHBondContact CE1-OE2 3.41Å; Q66-E70 WeakPolarHBondContact O-CB 3.18Å; Q66-E70 VanDerWaalsContact O-CG 3.27Å; Q66-E70 WeakPolarHBondContact O-CG 3.23Å; Q66-E70 PolarHBondContact O-N 2.98Å; Y68-E70 PolarHBondContact O-N 2.94Å; E70-F552 HydrophobicContact CG-CE1 4.31Å; E70-R556 HydrophobicContact CG-CG 4.13Å; E70-R556 IonicContact OE1-CZ 3.04Å; E70-R556 IonicContact OE1-NE 3.19Å; E70-R556 PolarHBondContact OE1-NE 3.33Å; E70-R556 IonicContact OE1-NH2 3.59Å; E70-R556 PolarHBondContact OE1-NH2 2.89Å |
| 71 | I | 89.9 | Confident | 92.3 | Very high | 24 Ų | 24 | 28 Ų | 28 | 12% | 0.123 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -126.1 | -28.3 | -174.4 | -160 | 68.2 | 0 | 0 | 0 | 115.5 | K7 V9 L67 L307 | K7-I71 HydrophobicContact CD-CD1 4.27Å; V9-I71 HydrophobicContact CG1-CB 4.3Å; V9-I71 HydrophobicContact CG1-CG1 3.86Å; V9-I71 HydrophobicContact CG1-CG2 4Å; V9-I71 HydrophobicContact CG2-CG2 4.32Å; L67-I71 HydrophobicContact CD2-CG2 4.45Å; L67-I71 WeakPolarHBondContact O-CG2 3.31Å; L67-I71 PolarHBondContact O-N 3.05Å; I71-L307 HydrophobicContact CG1-CD1 3.81Å; I71-L307 HydrophobicContact CG1-CD2 4.46Å; I71-L307 HydrophobicContact CG2-CD1 4.23Å; I71-L307 HydrophobicContact CG2-CD2 3.96Å |
| 72 | A | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -83.9 | -39.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y68 L75 I76 L307 | Y68-A72 HydrophobicContact CD2-CB 3.75Å; Y68-A72 HydrophobicContact CE2-CB 4.01Å; Y68-A72 HydrophobicContact CG-CB 4.25Å; Y68-A72 CarbonylContact O-C 3.58Å; Y68-A72 WeakPolarHBondContact O-CB 3.47Å; Y68-A72 PolarHBondContact O-N 2.91Å; Y68-A72 VanDerWaalsContact O-N 3.11Å; A72-L75 WeakPolarHBondContact O-CA 3.45Å; A72-L75 WeakPolarHBondContact O-CB 3.15Å; A72-L75 PolarHBondContact O-N 3.47Å; A72-I76 HydrophobicContact CB-CD1 4.06Å; A72-I76 WeakPolarHBondContact O-CD1 3.15Å; A72-I76 PolarHBondContact O-N 2.95Å; A72-I76 VanDerWaalsContact O-N 3.11Å; A72-L307 HydrophobicContact CB-CD2 4.18Å |
| 73 | Y | 92.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -50.5 | -47.7 | -176.4 | 178.8 | -85.4 | 0 | 0 | 0 | 113.3 | Y68 L75 I76 E77 H120 H546 R549 K550 A553 | Y68-Y73 HydrophobicContact CE1-CD2 4.3Å; Y68-Y73 PolarHBondContact O-N 2.9Å; Y73-L75 PolarHBondContact O-N 3.4Å; Y73-I76 PolarHBondContact O-N 2.81Å; Y73-E77 WeakPolarHBondContact O-CB 3.33Å; Y73-E77 PolarHBondContact O-N 2.99Å; Y73-H120 AromaticContact CD2-CE1 3.22Å; Y73-H120 WeakPolarHBondContact CD2-CE1 3.47Å; Y73-H120 AromaticContact CD2-ND1 3.53Å; Y73-H120 AromaticContact CD2-NE2 3.68Å; Y73-H120 AromaticContact CE2-CD2 3.72Å; Y73-H120 AromaticContact CE2-CE1 3.19Å; Y73-H120 WeakPolarHBondContact CE2-CE1 3.29Å; Y73-H120 AromaticContact CE2-ND1 3.77Å; Y73-H120 AromaticContact CE2-NE2 3.11Å; Y73-H120 WeakPolarHBondContact CE2-NE2 3.39Å; Y73-H120 AromaticContact CG-CE1 3.84Å; Y73-H120 AromaticContact CZ-CE1 3.79Å; Y73-H120 AromaticContact CZ-NE2 3.55Å; Y73-H120 PolarHBondContact O-CE1 2.89Å; Y73-H546 PolarHBondContact OH-CE1 2.88Å; Y73-H546 VanDerWaalsContact OH-CE1 3.32Å; Y73-H546 PolarHBondContact OH-NE2 3.39Å; Y73-H546 VanDerWaalsContact OH-NE2 3.09Å; Y73-R549 HydrophobicContact CE2-CB 4Å; Y73-K550 HydrophobicContact CE1-CB 4.01Å; Y73-K550 HydrophobicContact CE1-CG 4.26Å; Y73-A553 HydrophobicContact CD1-CB 3.97Å |
| 74 | P | 91.8 | Very high | 92.6 | Very high | 48 Ų | 48 | 23.3 Ų | 23.3 | 31% | 0.312 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -69 | -14.7 | 177.7 | -19.1 | 33.8 | 0 | 0 | 0 | 115.1 | A553 | P74-A553 HydrophobicContact CG-CB 4.27Å |
| 75 | L | 94.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -83 | -45.5 | 172.9 | -175.3 | 159 | 0 | 0 | 0 | 110.3 | A72 Y73 G78 V79 V87 L236 R305 L307 | A72-L75 WeakPolarHBondContact O-CA 3.45Å; A72-L75 WeakPolarHBondContact O-CB 3.15Å; A72-L75 PolarHBondContact O-N 3.47Å; Y73-L75 PolarHBondContact O-N 3.4Å; L75-G78 WeakPolarHBondContact O-CA 3.42Å; L75-G78 PolarHBondContact O-N 3.37Å; L75-G78 VanDerWaalsContact O-N 3.08Å; L75-V79 PolarHBondContact O-N 3.28Å; L75-V87 HydrophobicContact CD1-CG2 4.12Å; L75-V87 HydrophobicContact CD2-CG2 3.9Å; L75-L236 HydrophobicContact CD2-CD1 3.82Å; L75-R305 WeakPolarHBondContact CD1-O 3.41Å; L75-R305 HydrophobicContact CG-CB 4.3Å; L75-L307 HydrophobicContact CD1-CB 3.55Å |
| 76 | I | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 178.3 | -72.9 | 79.7 | 0 | 0 | 0 | 111 | Y68 A72 Y73 G78 V79 T80 A117 H120 I121 L236 | Y68-I76 HydrophobicContact CE2-CD1 4.04Å; A72-I76 HydrophobicContact CB-CD1 4.06Å; A72-I76 WeakPolarHBondContact O-CD1 3.15Å; A72-I76 PolarHBondContact O-N 2.95Å; A72-I76 VanDerWaalsContact O-N 3.11Å; Y73-I76 PolarHBondContact O-N 2.81Å; I76-G78 PolarHBondContact O-N 3.07Å; I76-V79 PolarHBondContact O-N 3.48Å; I76-T80 PolarHBondContact O-N 3.16Å; I76-A117 HydrophobicContact CG1-CB 4.06Å; I76-H120 HydrophobicContact CG2-CB 4.32Å; I76-H120 VanDerWaalsContact CG2-ND1 3.32Å; I76-H120 WeakPolarHBondContact CG2-ND1 3.38Å; I76-I121 HydrophobicContact CG2-CD1 4.21Å; I76-I121 HydrophobicContact CG2-CG1 3.72Å; I76-L236 HydrophobicContact CG1-CD2 3.88Å |
| 77 | E | 92.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 16.8 Ų | 16.8 | 10% | 0.103 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.3 | -29.3 | 171.6 | -178.2 | 77.4 | 141.4 | 0 | 0 | 111.6 | Y73 V79 T80 E81 H120 H546 K550 | Y73-E77 WeakPolarHBondContact O-CB 3.33Å; Y73-E77 PolarHBondContact O-N 2.99Å; E77-V79 VanDerWaalsContact C-N 3.32Å; E77-V79 PolarHBondContact O-N 2.92Å; E77-T80 WeakPolarHBondContact CA-OG1 3.35Å; E77-T80 PolarHBondContact O-OG1 3.2Å; E77-T80 PolarHBondContact OE2-OG1 3.01Å; E77-E81 WeakPolarHBondContact O-CG 3.2Å; E77-E81 PolarHBondContact O-N 3.3Å; E77-H120 IonicContact OE2-NE2 2.79Å; E77-H546 IonicContact OE1-CE1 2.66Å; E77-K550 WeakPolarHBondContact OE1-CD 3.29Å; E77-K550 WeakPolarHBondContact OE1-CE 3.29Å; E77-K550 IonicContact OE1-NZ 3.94Å; E77-K550 PolarHBondContact OE1-NZ 2.76Å |
| 78 | G | 92.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.1 | -33.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L75 I76 E81 G82 Y83 | L75-G78 WeakPolarHBondContact O-CA 3.42Å; L75-G78 PolarHBondContact O-N 3.37Å; L75-G78 VanDerWaalsContact O-N 3.08Å; I76-G78 PolarHBondContact O-N 3.07Å; G78-E81 WeakPolarHBondContact O-CB 3.41Å; G78-E81 PolarHBondContact O-N 3.16Å; G78-G82 PolarHBondContact O-N 2.82Å; G78-Y83 VanDerWaalsContact O-CB 3.27Å; G78-Y83 WeakPolarHBondContact O-CB 3.42Å; G78-Y83 WeakPolarHBondContact O-CD2 3.48Å; G78-Y83 PolarHBondContact O-N 3.02Å |
| 79 | V | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -76.6 | -34.2 | -179.6 | -168.6 | 0 | 0 | 0 | 0 | 111.1 | L75 I76 E77 E81 G82 Y83 L218 L236 | L75-V79 PolarHBondContact O-N 3.28Å; I76-V79 PolarHBondContact O-N 3.48Å; E77-V79 VanDerWaalsContact C-N 3.32Å; E77-V79 PolarHBondContact O-N 2.92Å; V79-E81 VanDerWaalsContact C-N 3.25Å; V79-E81 PolarHBondContact O-N 3.49Å; V79-G82 PolarHBondContact O-N 3.02Å; V79-G82 VanDerWaalsContact O-N 3.08Å; V79-Y83 WeakPolarHBondContact CA-O 3.43Å; V79-L218 HydrophobicContact CB-CD1 4.46Å; V79-L218 HydrophobicContact CG1-CD1 3.71Å; V79-L236 HydrophobicContact CG1-CB 4.08Å; V79-L236 HydrophobicContact CG2-CB 4.13Å; V79-L236 HydrophobicContact CG2-CD1 4.22Å |
| 80 | T | 91.4 | Very high | 93.6 | Very high | 18 Ų | 18 | 15.6 Ų | 15.6 | 11% | 0.11 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.7 | -22.1 | 171.6 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | I76 E77 I121 I220 | I76-T80 PolarHBondContact O-N 3.16Å; E77-T80 WeakPolarHBondContact CA-OG1 3.35Å; E77-T80 PolarHBondContact O-OG1 3.2Å; E77-T80 PolarHBondContact OE2-OG1 3.01Å; T80-I121 HydrophobicContact CG2-CG1 4.29Å; T80-I220 WeakPolarHBondContact O-CD1 3.49Å |
| 81 | E | 90 | Very high | 93.9 | Very high | 76 Ų | 76 | 13.8 Ų | 13.8 | 36% | 0.355 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -76.9 | -19.7 | 168 | -71.6 | 171 | 165.8 | 0 | 0 | 114.1 | E77 G78 V79 Y83 R232 R305 | E77-E81 WeakPolarHBondContact O-CG 3.2Å; E77-E81 PolarHBondContact O-N 3.3Å; G78-E81 WeakPolarHBondContact O-CB 3.41Å; G78-E81 PolarHBondContact O-N 3.16Å; V79-E81 VanDerWaalsContact C-N 3.25Å; V79-E81 PolarHBondContact O-N 3.49Å; E81-Y83 HydrophobicContact CB-CD2 4.23Å; E81-R232 WeakPolarHBondContact O-CD 3.27Å; E81-R232 PolarHBondContact O-NH1 3.43Å; E81-R305 IonicContact OE2-NH1 2.72Å |
| 82 | G | 91.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.9 | 17 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G78 V79 A233 I341 N342 | G78-G82 PolarHBondContact O-N 2.82Å; V79-G82 PolarHBondContact O-N 3.02Å; V79-G82 VanDerWaalsContact O-N 3.08Å; G82-A233 VanDerWaalsContact O-O 3.13Å; G82-I341 WeakPolarHBondContact O-CA 3.26Å; G82-N342 PolarHBondContact O-N 2.98Å; G82-N342 PolarHBondContact O-ND2 2.97Å |
| 83 | Y | 94.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 15.5 Ų | 15.5 | 18% | 0.18 | 8% | 0.08 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 158.5 | 169.4 | -70.4 | -93.4 | 0 | 0 | 0 | 112.3 | G78 V79 E81 R305 P339 R340 I341 | G78-Y83 VanDerWaalsContact O-CB 3.27Å; G78-Y83 WeakPolarHBondContact O-CB 3.42Å; G78-Y83 WeakPolarHBondContact O-CD2 3.48Å; G78-Y83 PolarHBondContact O-N 3.02Å; V79-Y83 WeakPolarHBondContact CA-O 3.43Å; E81-Y83 HydrophobicContact CB-CD2 4.23Å; Y83-R305 PolarHBondContact OH-NH2 3.12Å; Y83-P339 HydrophobicContact CD1-CB 4.03Å; Y83-P339 HydrophobicContact CE1-CB 4.34Å; Y83-R340 WeakPolarHBondContact CD1-O 3.36Å; Y83-R340 VanDerWaalsContact CE1-C 3.44Å; Y83-I341 HydrophobicContact CD1-CG1 4.43Å; Y83-I341 HydrophobicContact CD2-CG1 3.91Å; Y83-I341 HydrophobicContact CE1-CG1 4.06Å; Y83-I341 HydrophobicContact CE2-CD1 4.05Å; Y83-I341 HydrophobicContact CE2-CG1 3.49Å; Y83-I341 VanDerWaalsContact CE2-CG1 3.49Å; Y83-I341 HydrophobicContact CG-CG1 4.36Å |
| 84 | N | 95.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 17.8 Ų | 17.8 | 13% | 0.134 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 135.9 | 160.2 | -60.7 | -34.7 | 0 | 0 | 0 | 110.4 | K235 N303 T304 R305 N342 | N84-K235 CarbonylContact C-O 3.55Å; N84-K235 WeakPolarHBondContact CA-O 3.49Å; N84-K235 WeakPolarHBondContact OD1-CB 3.44Å; N84-N303 VanDerWaalsContact CB-O 3.29Å; N84-N303 WeakPolarHBondContact CB-O 3.44Å; N84-N303 PolarHBondContact ND2-O 3.18Å; N84-T304 HydrophobicContact CB-CG2 4.24Å; N84-R305 PolarHBondContact O-N 2.85Å; N84-N342 VanDerWaalsContact CG-ND2 3.33Å; N84-N342 PolarHBondContact ND2-ND2 3.33Å; N84-N342 PolarHBondContact ND2-OD1 2.56Å; N84-N342 PolarHBondContact OD1-ND2 3.31Å |
| 85 | G | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K235 L236 N237 R305 | G85-K235 PolarHBondContact N-O 3.03Å; G85-L236 WeakPolarHBondContact O-CA 3.48Å; G85-N237 PolarHBondContact O-N 3.05Å; G85-R305 CarbonylContact C-O 3.59Å; G85-R305 WeakPolarHBondContact CA-O 3.31Å |
| 86 | T | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 126.2 | 170.2 | -67.8 | 0 | 0 | 0 | 0 | 111 | F88 N237 V239 S299 T304 R305 T306 L307 | T86-F88 HydrophobicContact CG2-CD1 4.41Å; T86-N237 WeakPolarHBondContact CA-O 3.44Å; T86-N237 HydrophobicContact CG2-CB 4.07Å; T86-N237 WeakPolarHBondContact OG1-CB 3.32Å; T86-N237 PolarHBondContact OG1-ND2 3.34Å; T86-V239 HydrophobicContact CG2-CG2 4.44Å; T86-S299 PolarHBondContact OG1-OG 2.85Å; T86-S299 VanDerWaalsContact OG1-OG 3.12Å; T86-T304 WeakPolarHBondContact OG1-CG2 3.29Å; T86-R305 PolarHBondContact N-O 3.08Å; T86-T306 HydrophobicContact CG2-CG2 4.34Å; T86-T306 CarbonylContact O-C 3.24Å; T86-T306 WeakPolarHBondContact O-CA 3.4Å; T86-L307 PolarHBondContact O-N 3.1Å |
| 87 | V | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.3 | 170.1 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | L75 M101 V113 N237 L238 V239 L307 I309 | L75-V87 HydrophobicContact CD1-CG2 4.12Å; L75-V87 HydrophobicContact CD2-CG2 3.9Å; V87-M101 HydrophobicContact CG1-CE 4.43Å; V87-M101 HydrophobicContact CG1-SD 4.44Å; V87-V113 HydrophobicContact CG1-CG1 4.29Å; V87-N237 PolarHBondContact N-O 3.1Å; V87-L238 HydrophobicContact CB-CD2 4.16Å; V87-L238 HydrophobicContact CG2-CD2 4.32Å; V87-V239 PolarHBondContact O-N 2.79Å; V87-L307 WeakPolarHBondContact CA-O 3.46Å; V87-L307 HydrophobicContact CG1-CB 4.42Å; V87-L307 HydrophobicContact CG1-CD2 4Å; V87-L307 HydrophobicContact CG1-CG 4.22Å; V87-L307 HydrophobicContact CG2-CB 4.37Å; V87-L307 HydrophobicContact CG2-CD2 4.33Å; V87-I309 HydrophobicContact CG1-CD1 3.67Å; V87-I309 HydrophobicContact CG1-CG1 4.22Å |
| 88 | F | 96.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.6 | 178.6 | 73.1 | -89.2 | 0 | 0 | 0 | 113.3 | T86 V239 L241 L300 T306 L307 M308 I309 | T86-F88 HydrophobicContact CG2-CD1 4.41Å; F88-V239 WeakPolarHBondContact CA-O 3.43Å; F88-V239 HydrophobicContact CB-CB 3.68Å; F88-V239 HydrophobicContact CB-CG1 4.17Å; F88-V239 HydrophobicContact CB-CG2 4.3Å; F88-L241 HydrophobicContact CD2-CD1 3.85Å; F88-L241 HydrophobicContact CE2-CD1 4.47Å; F88-L300 HydrophobicContact CE1-CD2 4.31Å; F88-L300 HydrophobicContact CZ-CD2 4.48Å; F88-T306 HydrophobicContact CD1-CG2 3.99Å; F88-T306 HydrophobicContact CE1-CG2 3.7Å; F88-L307 PolarHBondContact N-O 2.97Å; F88-M308 HydrophobicContact CD1-CB 4.46Å; F88-M308 HydrophobicContact CD2-CG 4.22Å; F88-M308 HydrophobicContact CE1-CB 3.82Å; F88-M308 HydrophobicContact CE1-CG 4.31Å; F88-M308 HydrophobicContact CE2-CB 3.99Å; F88-M308 HydrophobicContact CE2-CE 4.41Å; F88-M308 HydrophobicContact CE2-CG 3.54Å; F88-M308 HydrophobicContact CE2-SD 4.06Å; F88-M308 HydrophobicContact CZ-CB 3.56Å; F88-M308 HydrophobicContact CZ-CG 3.59Å; F88-M308 HydrophobicContact CZ-SD 4.03Å; F88-I309 PolarHBondContact O-N 2.97Å |
| 89 | A | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K97 M101 V239 L241 I309 | A89-K97 HydrophobicContact CB-CB 3.85Å; A89-K97 HydrophobicContact CB-CG 4.25Å; A89-M101 HydrophobicContact CB-CG 3.66Å; A89-M101 HydrophobicContact CB-SD 3.99Å; A89-V239 PolarHBondContact N-O 3.38Å; A89-L241 WeakPolarHBondContact O-CB 3.5Å; A89-L241 WeakPolarHBondContact O-CG 3.47Å; A89-L241 PolarHBondContact O-N 3.02Å; A89-I309 WeakPolarHBondContact CA-O 3.44Å |
| 90 | Y | 95.4 | Very high | 93 | Very high | 10 Ų | 10 | 20.9 Ų | 20.9 | 4% | 0.039 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 153.6 | -176.5 | 177.4 | -92.1 | 0 | 0 | 0 | 111.5 | L241 L267 M308 I309 C311 T325 Y328 | Y90-L241 HydrophobicContact CD2-CD1 3.86Å; Y90-L267 HydrophobicContact CD2-CD2 4.48Å; Y90-L267 HydrophobicContact CE2-CD2 4.23Å; Y90-M308 HydrophobicContact CD1-CE 3.4Å; Y90-M308 VanDerWaalsContact CD1-CE 3.4Å; Y90-M308 HydrophobicContact CE1-CE 4.28Å; Y90-M308 HydrophobicContact CG-CE 3.71Å; Y90-I309 PolarHBondContact N-O 2.79Å; Y90-C311 PolarHBondContact O-N 2.92Å; Y90-T325 HydrophobicContact CD1-CG2 4Å; Y90-T325 HydrophobicContact CE1-CG2 4.13Å; Y90-Y328 HydrophobicContact CD1-CD1 4.04Å; Y90-Y328 HydrophobicContact CD1-CE1 4.41Å; Y90-Y328 HydrophobicContact CD1-CG 4.48Å; Y90-Y328 HydrophobicContact CD2-CE1 4.26Å; Y90-Y328 AromaticContact CE1-CD1 3.65Å; Y90-Y328 HydrophobicContact CE1-CD1 3.65Å; Y90-Y328 HydrophobicContact CE1-CD2 4.21Å; Y90-Y328 HydrophobicContact CE1-CE1 4.13Å; Y90-Y328 AromaticContact CE1-CG 3.67Å; Y90-Y328 HydrophobicContact CE1-CG 3.67Å; Y90-Y328 HydrophobicContact CE2-CD1 4.3Å; Y90-Y328 AromaticContact CE2-CE1 3.95Å; Y90-Y328 HydrophobicContact CE2-CE1 3.95Å; Y90-Y328 HydrophobicContact CE2-CE2 4.24Å; Y90-Y328 AromaticContact CE2-CZ 3.92Å; Y90-Y328 HydrophobicContact CG-CE1 4.48Å; Y90-Y328 AromaticContact CZ-CD1 3.79Å; Y90-Y328 AromaticContact CZ-CD2 3.8Å; Y90-Y328 AromaticContact CZ-CE1 3.89Å; Y90-Y328 AromaticContact CZ-CE2 3.9Å; Y90-Y328 AromaticContact CZ-CG 3.73Å; Y90-Y328 AromaticContact CZ-CZ 3.94Å; Y90-Y328 VanDerWaalsContact OH-CD2 3.29Å; Y90-Y328 WeakPolarHBondContact OH-CD2 3.5Å |
| 91 | G | 93 | Very high | 93.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 131.4 | -175.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K97 S244 | G91-K97 PolarHBondContact O-NZ 2.65Å; G91-S244 WeakPolarHBondContact CA-OG 3.47Å; G91-S244 PolarHBondContact O-N 2.65Å; G91-S244 PolarHBondContact O-OG 3.32Å |
| 92 | Q | 88.9 | Confident | 93.3 | Very high | 24 Ų | 24 | 18.9 Ų | 18.9 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -56.1 | 154.4 | -176.8 | -162.9 | -173.5 | 0.4 | 0 | 0 | 112.9 | S95 K97 S244 E245 N318 E321 | Q92-S95 VanDerWaalsContact O-CB 3.26Å; Q92-S95 WeakPolarHBondContact O-CB 3.41Å; Q92-S95 PolarHBondContact O-N 2.65Å; Q92-S95 PolarHBondContact O-OG 2.87Å; Q92-K97 PolarHBondContact O-NZ 3.46Å; Q92-K97 VanDerWaalsContact O-NZ 3.07Å; Q92-S244 PolarHBondContact N-OG 2.89Å; Q92-E245 HydrophobicContact CG-CB 4.24Å; Q92-N318 PolarHBondContact NE2-OD1 2.89Å; Q92-E321 HydrophobicContact CB-CB 4.21Å; Q92-E321 HydrophobicContact CG-CB 4.03Å; Q92-E321 HydrophobicContact CG-CG 4.15Å |
| 93 | T | 86.9 | Confident | 93.3 | Very high | 37 Ų | 37 | 19.8 Ų | 19.8 | 23% | 0.227 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 138.6 | 161.2 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | S95 S208 G243 E245 | T93-S95 PolarHBondContact O-N 2.95Å; T93-S208 WeakPolarHBondContact OG1-CB 3.29Å; T93-G243 VanDerWaalsContact OG1-CA 3.32Å; T93-G243 WeakPolarHBondContact OG1-CA 3.32Å; T93-E245 WeakPolarHBondContact CB-OE1 3.11Å; T93-E245 WeakPolarHBondContact CB-OE2 3.4Å; T93-E245 PolarHBondContact N-OE2 2.98Å; T93-E245 VanDerWaalsContact OG1-CD 3.25Å; T93-E245 PolarHBondContact OG1-OE1 2.62Å; T93-E245 PolarHBondContact OG1-OE2 2.9Å |
| 94 | G | 86 | Confident | 93 | Very high | 52 Ų | 52 | 20.4 Ų | 20.4 | 54% | 0.536 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -2.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R13 G96 | R13-G94 PolarHBondContact NE-O 3.04Å; G94-G96 VanDerWaalsContact C-N 3.26Å; G94-G96 PolarHBondContact O-N 3.21Å |
| 95 | S | 90.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -70.2 | -14.3 | 179.5 | 62.5 | 0 | 0 | 0 | 0 | 115.4 | Q92 T93 C311 | Q92-S95 VanDerWaalsContact O-CB 3.26Å; Q92-S95 WeakPolarHBondContact O-CB 3.41Å; Q92-S95 PolarHBondContact O-N 2.65Å; Q92-S95 PolarHBondContact O-OG 2.87Å; T93-S95 PolarHBondContact O-N 2.95Å; S95-C311 WeakPolarHBondContact CB-O 3.45Å; S95-C311 WeakPolarHBondContact OG-CB 3.45Å |
| 96 | G | 91.5 | Very high | 91.9 | Very high | 15 Ų | 15 | 32 Ų | 32 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 107.7 | 18.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G94 F99 T100 | G94-G96 VanDerWaalsContact C-N 3.26Å; G94-G96 PolarHBondContact O-N 3.21Å; G96-F99 PolarHBondContact O-N 2.95Å; G96-T100 PolarHBondContact O-N 3.36Å; G96-T100 PolarHBondContact O-OG1 3.24Å |
| 97 | K | 93.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.6 | -64.5 | 176.2 | -59.3 | -167.5 | -63.9 | -80.8 | 0 | 112.7 | A89 G91 Q92 F99 T100 M101 D240 L241 A242 C311 | A89-K97 HydrophobicContact CB-CB 3.85Å; A89-K97 HydrophobicContact CB-CG 4.25Å; G91-K97 PolarHBondContact O-NZ 2.65Å; Q92-K97 PolarHBondContact O-NZ 3.46Å; Q92-K97 VanDerWaalsContact O-NZ 3.07Å; K97-F99 VanDerWaalsContact C-N 3.26Å; K97-F99 PolarHBondContact O-N 3.36Å; K97-T100 WeakPolarHBondContact O-CA 3.36Å; K97-T100 WeakPolarHBondContact O-CB 3.48Å; K97-T100 PolarHBondContact O-N 2.93Å; K97-M101 PolarHBondContact O-N 2.99Å; K97-D240 VanDerWaalsContact CB-OD1 3.29Å; K97-D240 WeakPolarHBondContact CB-OD1 3.43Å; K97-L241 WeakPolarHBondContact CE-O 3.36Å; K97-A242 WeakPolarHBondContact CE-O 3.36Å; K97-A242 PolarHBondContact NZ-O 2.78Å; K97-A242 VanDerWaalsContact NZ-O 3.11Å; K97-C311 HydrophobicContact CG-CB 4.06Å |
| 98 | S | 91.4 | Very high | 91 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -29.1 | 179.5 | -35.8 | 0 | 0 | 0 | 0 | 112.5 | T100 M101 Q102 G103 D240 | S98-T100 VanDerWaalsContact C-N 3.27Å; S98-T100 PolarHBondContact O-N 2.98Å; S98-M101 PolarHBondContact O-N 3.47Å; S98-Q102 WeakPolarHBondContact O-CA 3.49Å; S98-Q102 WeakPolarHBondContact O-CB 3.37Å; S98-Q102 PolarHBondContact O-N 2.92Å; S98-G103 PolarHBondContact O-N 3.49Å; S98-G103 VanDerWaalsContact O-N 3.17Å; S98-D240 WeakPolarHBondContact CA-OD1 3.47Å; S98-D240 WeakPolarHBondContact CB-OD2 3.36Å; S98-D240 PolarHBondContact N-OD1 3.03Å; S98-D240 VanDerWaalsContact N-OD1 3.11Å; S98-D240 PolarHBondContact OG-OD1 3.34Å; S98-D240 PolarHBondContact OG-OD2 2.96Å |
| 99 | F | 93.1 | Very high | 90.7 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 36% | 0.36 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.7 | -24.6 | 170.5 | 179.5 | -94 | 0 | 0 | 0 | 113 | G96 K97 G103 V104 Q110 | G96-F99 PolarHBondContact O-N 2.95Å; K97-F99 VanDerWaalsContact C-N 3.26Å; K97-F99 PolarHBondContact O-N 3.36Å; F99-G103 WeakPolarHBondContact O-CA 3.38Å; F99-G103 PolarHBondContact O-N 3.06Å; F99-V104 HydrophobicContact CD2-CG1 4.32Å; F99-V104 HydrophobicContact CE2-CG1 4.04Å; F99-V104 HydrophobicContact CE2-CG2 4.07Å; F99-Q110 HydrophobicContact CZ-CB 4.12Å; F99-Q110 HydrophobicContact CZ-CG 4.36Å |
| 100 | T | 95.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -87.3 | -38.2 | 173.5 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | R11 T64 L67 G96 K97 S98 G112 V113 I309 | R11-T100 WeakPolarHBondContact CD-OG1 3.41Å; R11-T100 PolarHBondContact NH1-OG1 3.39Å; T64-T100 HydrophobicContact CG2-CG2 4.36Å; L67-T100 HydrophobicContact CD1-CG2 4.08Å; L67-T100 HydrophobicContact CD2-CG2 4.38Å; G96-T100 PolarHBondContact O-N 3.36Å; G96-T100 PolarHBondContact O-OG1 3.24Å; K97-T100 WeakPolarHBondContact O-CA 3.36Å; K97-T100 WeakPolarHBondContact O-CB 3.48Å; K97-T100 PolarHBondContact O-N 2.93Å; S98-T100 VanDerWaalsContact C-N 3.27Å; S98-T100 PolarHBondContact O-N 2.98Å; T100-G112 WeakPolarHBondContact O-CA 3.35Å; T100-V113 HydrophobicContact CG2-CG2 4.28Å; T100-V113 WeakPolarHBondContact O-CG2 3.37Å; T100-V113 PolarHBondContact O-N 2.97Å; T100-I309 HydrophobicContact CG2-CD1 4.04Å; T100-I309 HydrophobicContact CG2-CG2 4.04Å |
| 101 | M | 95.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.1 | -55.7 | 179.1 | -62.9 | -52.6 | -73.6 | 0 | 0 | 112.6 | V87 A89 K97 S98 G112 V113 I114 L238 D240 | V87-M101 HydrophobicContact CG1-CE 4.43Å; V87-M101 HydrophobicContact CG1-SD 4.44Å; A89-M101 HydrophobicContact CB-CG 3.66Å; A89-M101 HydrophobicContact CB-SD 3.99Å; K97-M101 PolarHBondContact O-N 2.99Å; S98-M101 PolarHBondContact O-N 3.47Å; M101-G112 CarbonylContact O-C 3.55Å; M101-G112 WeakPolarHBondContact O-CA 3.42Å; M101-V113 PolarHBondContact O-N 3.31Å; M101-V113 HydrophobicContact SD-CB 4.49Å; M101-I114 HydrophobicContact CB-CD1 3.9Å; M101-I114 HydrophobicContact CB-CG1 4.29Å; M101-I114 HydrophobicContact CE-CD1 4.45Å; M101-I114 HydrophobicContact CE-CG1 4.23Å; M101-I114 VanDerWaalsContact O-CB 3.3Å; M101-I114 WeakPolarHBondContact O-CB 3.49Å; M101-I114 VanDerWaalsContact O-CG1 3.29Å; M101-I114 WeakPolarHBondContact O-CG1 3.42Å; M101-I114 PolarHBondContact O-N 2.97Å; M101-L238 HydrophobicContact CE-CB 4.1Å; M101-L238 HydrophobicContact CE-CD2 4.33Å; M101-D240 HydrophobicContact CB-CB 4.34Å; M101-D240 HydrophobicContact CG-CB 4.14Å |
| 102 | Q | 91.6 | Very high | 90.6 | Very high | 52 Ų | 52 | 45 Ų | 45 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -43.6 | -179.7 | -168.4 | -179.9 | 27 | 0 | 0 | 112.3 | S98 G112 M189 | S98-Q102 WeakPolarHBondContact O-CA 3.49Å; S98-Q102 WeakPolarHBondContact O-CB 3.37Å; S98-Q102 PolarHBondContact O-N 2.92Å; Q102-G112 VanDerWaalsContact O-CA 3.25Å; Q102-G112 WeakPolarHBondContact O-CA 3.33Å; Q102-G112 PolarHBondContact O-N 2.68Å; Q102-M189 HydrophobicContact CB-CE 4.43Å; Q102-M189 HydrophobicContact CG-CE 4.2Å |
| 103 | G | 91.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | 68.4 | -154.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S98 F99 | S98-G103 PolarHBondContact O-N 3.49Å; S98-G103 VanDerWaalsContact O-N 3.17Å; F99-G103 WeakPolarHBondContact O-CA 3.38Å; F99-G103 PolarHBondContact O-N 3.06Å |
| 104 | V | 88.9 | Confident | 91.3 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | trans | -125.4 | 144.7 | 178.3 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | F99 E106 Q110 K111 | F99-V104 HydrophobicContact CD2-CG1 4.32Å; F99-V104 HydrophobicContact CE2-CG1 4.04Å; F99-V104 HydrophobicContact CE2-CG2 4.07Å; V104-E106 VanDerWaalsContact C-N 3.32Å; V104-E106 VanDerWaalsContact CG2-O 3.29Å; V104-E106 WeakPolarHBondContact CG2-O 3.43Å; V104-E106 PolarHBondContact O-N 3.29Å; V104-Q110 HydrophobicContact CG2-CB 3.61Å; V104-Q110 PolarHBondContact N-O 3.4Å; V104-Q110 VanDerWaalsContact N-O 3.14Å; V104-Q110 CarbonylContact O-C 3.55Å; V104-K111 WeakPolarHBondContact O-CA 3.49Å; V104-K111 PolarHBondContact O-N 2.98Å; V104-K111 VanDerWaalsContact O-N 3.17Å | ||
| 105 | S | 83.2 | Confident | 91.8 | Very high | 99 Ų | 99 | 40.6 Ų | 40.6 | 69% | 0.692 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -65.1 | -37.6 | -180 | -49.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 106 | E | 84.1 | Confident | 92 | Very high | 171 Ų | 171 | 41 Ų | 41 | 80% | 0.799 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -127.6 | 138.1 | 176.3 | -65.6 | -169.2 | 175.7 | 0 | 0 | 111 | V104 | V104-E106 VanDerWaalsContact C-N 3.32Å; V104-E106 VanDerWaalsContact CG2-O 3.29Å; V104-E106 WeakPolarHBondContact CG2-O 3.43Å; V104-E106 PolarHBondContact O-N 3.29Å |
| 107 | P | 88.8 | Confident | 92.2 | Very high | 82 Ų | 82 | 40.3 Ų | 40.3 | 53% | 0.532 | 23% | 0.233 | S | C | . | . | S | Bend | cis | -69.3 | 148.6 | -7.8 | 31.1 | -35.7 | 0 | 0 | 0 | 111.5 | T109 Q110 | P107-T109 PolarHBondContact O-N 3.49Å; P107-Q110 HydrophobicContact CG-CB 4.48Å; P107-Q110 HydrophobicContact CG-CG 4.05Å; P107-Q110 PolarHBondContact O-N 2.91Å |
| 108 | A | 89.2 | Confident | 92.3 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 55% | 0.554 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -57.7 | -22.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q110 K111 R116 | A108-Q110 PolarHBondContact O-N 2.91Å; A108-K111 PolarHBondContact O-N 3.32Å; A108-R116 PolarHBondContact O-NH2 3.3Å |
| 109 | T | 90.6 | Very high | 92.4 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 33% | 0.331 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -65.2 | -16.5 | 172.9 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | T63 T64 E65 P107 R116 | T63-T109 WeakPolarHBondContact CB-O 3.24Å; T64-T109 PolarHBondContact N-O 2.89Å; E65-T109 WeakPolarHBondContact CB-O 3.26Å; E65-T109 PolarHBondContact N-O 3.48Å; P107-T109 PolarHBondContact O-N 3.49Å; T109-R116 VanDerWaalsContact C-NH2 3.28Å; T109-R116 PolarHBondContact O-NH2 3.22Å; T109-R116 VanDerWaalsContact O-NH2 3.16Å |
| 110 | Q | 92.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -109.9 | 8.5 | 179.8 | -57.8 | -67.6 | 10.6 | 0 | 0 | 114 | T64 F99 V104 P107 A108 G112 | T64-Q110 PolarHBondContact OG1-OE1 2.99Å; T64-Q110 VanDerWaalsContact OG1-OE1 3.13Å; F99-Q110 HydrophobicContact CZ-CB 4.12Å; F99-Q110 HydrophobicContact CZ-CG 4.36Å; V104-Q110 HydrophobicContact CG2-CB 3.61Å; V104-Q110 PolarHBondContact N-O 3.4Å; V104-Q110 VanDerWaalsContact N-O 3.14Å; V104-Q110 CarbonylContact O-C 3.55Å; P107-Q110 HydrophobicContact CG-CB 4.48Å; P107-Q110 HydrophobicContact CG-CG 4.05Å; P107-Q110 PolarHBondContact O-N 2.91Å; A108-Q110 PolarHBondContact O-N 2.91Å; Q110-G112 PolarHBondContact O-N 3.47Å |
| 111 | K | 94.2 | Very high | 92.3 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -50.4 | 137.1 | 160.3 | -85.4 | -162.3 | 174.6 | -157.9 | 0 | 109.5 | T64 V104 A108 P115 R116 E119 E186 | T64-K111 WeakPolarHBondContact CB-O 3.48Å; T64-K111 WeakPolarHBondContact CG2-O 3.26Å; V104-K111 WeakPolarHBondContact O-CA 3.49Å; V104-K111 PolarHBondContact O-N 2.98Å; V104-K111 VanDerWaalsContact O-N 3.17Å; A108-K111 PolarHBondContact O-N 3.32Å; K111-P115 HydrophobicContact CB-CG 4.28Å; K111-P115 HydrophobicContact CD-CB 4.41Å; K111-R116 PolarHBondContact O-NE 2.94Å; K111-R116 PolarHBondContact O-NH2 3.44Å; K111-R116 VanDerWaalsContact O-NH2 3.07Å; K111-E119 WeakPolarHBondContact CD-OE1 3.32Å; K111-E119 IonicContact NZ-OE1 2.72Å; K111-E119 PolarHBondContact NZ-OE1 3.36Å; K111-E186 IonicContact NZ-OE1 3.03Å; K111-E186 PolarHBondContact NZ-OE1 3.45Å |
| 112 | G | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -70 | 177 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T100 M101 Q102 Q110 I114 P115 R116 | T100-G112 WeakPolarHBondContact O-CA 3.35Å; M101-G112 CarbonylContact O-C 3.55Å; M101-G112 WeakPolarHBondContact O-CA 3.42Å; Q102-G112 VanDerWaalsContact O-CA 3.25Å; Q102-G112 WeakPolarHBondContact O-CA 3.33Å; Q102-G112 PolarHBondContact O-N 2.68Å; Q110-G112 PolarHBondContact O-N 3.47Å; G112-I114 VanDerWaalsContact C-N 3.33Å; G112-P115 WeakPolarHBondContact O-CD 3.45Å; G112-R116 WeakPolarHBondContact O-CB 3.39Å; G112-R116 VanDerWaalsContact O-CG 3.27Å; G112-R116 WeakPolarHBondContact O-CG 3.4Å; G112-R116 PolarHBondContact O-N 3.24Å | ||
| 113 | V | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -36.7 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | T64 L67 Y68 V87 T100 M101 A117 L238 I309 | T64-V113 HydrophobicContact CG2-CG2 4.43Å; L67-V113 HydrophobicContact CD2-CG2 4.07Å; Y68-V113 HydrophobicContact CD2-CB 4.4Å; Y68-V113 HydrophobicContact CD2-CG1 4.12Å; Y68-V113 HydrophobicContact CD2-CG2 4.4Å; Y68-V113 HydrophobicContact CE2-CG1 4.22Å; V87-V113 HydrophobicContact CG1-CG1 4.29Å; T100-V113 HydrophobicContact CG2-CG2 4.28Å; T100-V113 WeakPolarHBondContact O-CG2 3.37Å; T100-V113 PolarHBondContact O-N 2.97Å; M101-V113 PolarHBondContact O-N 3.31Å; M101-V113 HydrophobicContact SD-CB 4.49Å; V113-A117 WeakPolarHBondContact O-CB 3.28Å; V113-A117 PolarHBondContact O-N 3.4Å; V113-L238 HydrophobicContact CG1-CD2 4.4Å; V113-I309 HydrophobicContact CG2-CD1 4.27Å |
| 114 | I | 95.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -59.6 | -179.2 | -64.3 | 173.4 | 0 | 0 | 0 | 111.9 | M101 G112 R116 A117 F118 M189 L238 | M101-I114 HydrophobicContact CB-CD1 3.9Å; M101-I114 HydrophobicContact CB-CG1 4.29Å; M101-I114 HydrophobicContact CE-CD1 4.45Å; M101-I114 HydrophobicContact CE-CG1 4.23Å; M101-I114 VanDerWaalsContact O-CB 3.3Å; M101-I114 WeakPolarHBondContact O-CB 3.49Å; M101-I114 VanDerWaalsContact O-CG1 3.29Å; M101-I114 WeakPolarHBondContact O-CG1 3.42Å; M101-I114 PolarHBondContact O-N 2.97Å; G112-I114 VanDerWaalsContact C-N 3.33Å; I114-R116 VanDerWaalsContact C-N 3.27Å; I114-R116 PolarHBondContact O-N 3.5Å; I114-A117 WeakPolarHBondContact O-CB 3.49Å; I114-A117 PolarHBondContact O-N 2.93Å; I114-F118 HydrophobicContact CG2-CE1 3.77Å; I114-F118 HydrophobicContact CG2-CE2 3.83Å; I114-F118 HydrophobicContact CG2-CZ 3.34Å; I114-F118 PolarHBondContact O-N 2.99Å; I114-F118 VanDerWaalsContact O-N 3.08Å; I114-M189 HydrophobicContact CD1-CE 3.64Å; I114-M189 HydrophobicContact CD1-SD 4.46Å; I114-M189 HydrophobicContact CG2-CE 4.36Å; I114-M189 HydrophobicContact CG2-CG 4.41Å; I114-M189 HydrophobicContact CG2-SD 4.23Å; I114-L238 HydrophobicContact CB-CD1 4.44Å; I114-L238 HydrophobicContact CD1-CB 4.44Å; I114-L238 HydrophobicContact CG1-CB 4.04Å; I114-L238 HydrophobicContact CG1-CD1 4.08Å; I114-L238 HydrophobicContact CG1-CG 4.47Å; I114-L238 HydrophobicContact CG2-CD1 4.31Å |
| 115 | P | 94.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -32.6 | 179.4 | 23.9 | -34.1 | 0 | 0 | 0 | 112.6 | K111 G112 F118 E119 | K111-P115 HydrophobicContact CB-CG 4.28Å; K111-P115 HydrophobicContact CD-CB 4.41Å; G112-P115 WeakPolarHBondContact O-CD 3.45Å; P115-F118 WeakPolarHBondContact O-CB 3.35Å; P115-F118 PolarHBondContact O-N 2.97Å; P115-E119 WeakPolarHBondContact O-CG 3.37Å; P115-E119 PolarHBondContact O-N 3.26Å |
| 116 | R | 95.3 | Very high | 92 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 4% | 0.038 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.6 | -34.1 | 173.1 | -70.1 | 178 | -163.3 | -75.4 | -8.2 | 113.2 | E65 Y68 A108 T109 K111 G112 I114 F118 E119 H120 | E65-R116 IonicContact OE1-NH1 2.77Å; Y68-R116 HydrophobicContact CD1-CB 4.02Å; Y68-R116 HydrophobicContact CD2-CB 3.58Å; Y68-R116 HydrophobicContact CD2-CG 4.45Å; Y68-R116 HydrophobicContact CE1-CB 4.07Å; Y68-R116 HydrophobicContact CE2-CB 3.63Å; Y68-R116 HydrophobicContact CG-CB 3.8Å; Y68-R116 HydrophobicContact CG-CG 4.32Å; Y68-R116 PolarHBondContact OH-O 3.35Å; A108-R116 PolarHBondContact O-NH2 3.3Å; T109-R116 VanDerWaalsContact C-NH2 3.28Å; T109-R116 PolarHBondContact O-NH2 3.22Å; T109-R116 VanDerWaalsContact O-NH2 3.16Å; K111-R116 PolarHBondContact O-NE 2.94Å; K111-R116 PolarHBondContact O-NH2 3.44Å; K111-R116 VanDerWaalsContact O-NH2 3.07Å; G112-R116 WeakPolarHBondContact O-CB 3.39Å; G112-R116 VanDerWaalsContact O-CG 3.27Å; G112-R116 WeakPolarHBondContact O-CG 3.4Å; G112-R116 PolarHBondContact O-N 3.24Å; I114-R116 VanDerWaalsContact C-N 3.27Å; I114-R116 PolarHBondContact O-N 3.5Å; R116-F118 VanDerWaalsContact C-N 3.34Å; R116-E119 PolarHBondContact O-N 3.36Å; R116-H120 VanDerWaalsContact O-CB 3.22Å; R116-H120 WeakPolarHBondContact O-CB 3.28Å; R116-H120 PolarHBondContact O-N 3.01Å |
| 117 | A | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y68 I76 V113 I114 I121 L236 L238 | Y68-A117 HydrophobicContact CE2-CB 4.45Å; I76-A117 HydrophobicContact CG1-CB 4.06Å; V113-A117 WeakPolarHBondContact O-CB 3.28Å; V113-A117 PolarHBondContact O-N 3.4Å; I114-A117 WeakPolarHBondContact O-CB 3.49Å; I114-A117 PolarHBondContact O-N 2.93Å; A117-I121 WeakPolarHBondContact O-CB 3.12Å; A117-I121 WeakPolarHBondContact O-CD1 3.31Å; A117-I121 WeakPolarHBondContact O-CG1 3.47Å; A117-I121 PolarHBondContact O-N 2.84Å; A117-L236 HydrophobicContact CB-CD2 4.16Å; A117-L238 HydrophobicContact CB-CD1 4.22Å |
| 118 | F | 95.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -53.3 | 171.4 | -53.9 | -20.3 | 0 | 0 | 0 | 110.9 | I114 P115 R116 H120 I121 F122 V182 C185 E186 M189 F214 I216 | I114-F118 HydrophobicContact CG2-CE1 3.77Å; I114-F118 HydrophobicContact CG2-CE2 3.83Å; I114-F118 HydrophobicContact CG2-CZ 3.34Å; I114-F118 PolarHBondContact O-N 2.99Å; I114-F118 VanDerWaalsContact O-N 3.08Å; P115-F118 WeakPolarHBondContact O-CB 3.35Å; P115-F118 PolarHBondContact O-N 2.97Å; R116-F118 VanDerWaalsContact C-N 3.34Å; F118-H120 VanDerWaalsContact C-N 3.33Å; F118-H120 PolarHBondContact O-N 3.45Å; F118-I121 PolarHBondContact O-N 3.01Å; F118-F122 WeakPolarHBondContact O-CD2 3.27Å; F118-F122 PolarHBondContact O-N 3.44Å; F118-F122 VanDerWaalsContact O-N 3.15Å; F118-V182 HydrophobicContact CB-CG1 3.98Å; F118-C185 HydrophobicContact CB-CB 4.3Å; F118-C185 HydrophobicContact CD1-CB 3.99Å; F118-C185 HydrophobicContact CD2-CB 3.5Å; F118-C185 HydrophobicContact CE1-CB 4.14Å; F118-C185 HydrophobicContact CE2-CB 3.66Å; F118-C185 HydrophobicContact CG-CB 3.68Å; F118-C185 HydrophobicContact CZ-CB 3.98Å; F118-E186 HydrophobicContact CD2-CG 4.1Å; F118-M189 HydrophobicContact CE2-CB 4.09Å; F118-M189 HydrophobicContact CZ-CB 4.24Å; F118-F214 HydrophobicContact CE1-CD1 4.12Å; F118-F214 AromaticContact CE1-CE1 3.54Å; F118-F214 HydrophobicContact CE1-CE1 3.54Å; F118-F214 AromaticContact CE1-CZ 3.9Å; F118-F214 HydrophobicContact CE1-CZ 3.9Å; F118-F214 HydrophobicContact CZ-CD1 4.3Å; F118-F214 AromaticContact CZ-CE1 3.7Å; F118-F214 HydrophobicContact CZ-CE1 3.7Å; F118-F214 HydrophobicContact CZ-CE2 4.1Å; F118-F214 AromaticContact CZ-CZ 3.59Å; F118-F214 HydrophobicContact CZ-CZ 3.59Å; F118-I216 HydrophobicContact CD1-CD1 3.83Å; F118-I216 HydrophobicContact CE1-CD1 3.89Å |
| 119 | E | 93.5 | Very high | 91.1 | Very high | 46 Ų | 46 | 23 Ų | 23 | 22% | 0.215 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -51.3 | -51 | 176.8 | -72.7 | 171.3 | -171.5 | 0 | 0 | 111.5 | K111 P115 R116 E123 V182 | K111-E119 WeakPolarHBondContact CD-OE1 3.32Å; K111-E119 IonicContact NZ-OE1 2.72Å; K111-E119 PolarHBondContact NZ-OE1 3.36Å; P115-E119 WeakPolarHBondContact O-CG 3.37Å; P115-E119 PolarHBondContact O-N 3.26Å; R116-E119 PolarHBondContact O-N 3.36Å; E119-E123 WeakPolarHBondContact O-CB 3.38Å; E119-E123 WeakPolarHBondContact O-CG 3.13Å; E119-E123 PolarHBondContact O-N 3.01Å; E119-V182 HydrophobicContact CG-CG1 4.28Å |
| 120 | H | 93.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -49 | -179 | -177.1 | -170.6 | 0 | 0 | 0 | 112.7 | Y68 Y73 I76 E77 R116 F118 F122 E123 S124 H546 | Y68-H120 HydrophobicContact CE1-CB 4.47Å; Y68-H120 AromaticContact CZ-ND1 3.96Å; Y68-H120 WeakPolarHBondContact OH-CB 3.39Å; Y68-H120 PolarHBondContact OH-ND1 2.93Å; Y73-H120 AromaticContact CD2-CE1 3.22Å; Y73-H120 WeakPolarHBondContact CD2-CE1 3.47Å; Y73-H120 AromaticContact CD2-ND1 3.53Å; Y73-H120 AromaticContact CD2-NE2 3.68Å; Y73-H120 AromaticContact CE2-CD2 3.72Å; Y73-H120 AromaticContact CE2-CE1 3.19Å; Y73-H120 WeakPolarHBondContact CE2-CE1 3.29Å; Y73-H120 AromaticContact CE2-ND1 3.77Å; Y73-H120 AromaticContact CE2-NE2 3.11Å; Y73-H120 WeakPolarHBondContact CE2-NE2 3.39Å; Y73-H120 AromaticContact CG-CE1 3.84Å; Y73-H120 AromaticContact CZ-CE1 3.79Å; Y73-H120 AromaticContact CZ-NE2 3.55Å; Y73-H120 PolarHBondContact O-CE1 2.89Å; I76-H120 HydrophobicContact CG2-CB 4.32Å; I76-H120 VanDerWaalsContact CG2-ND1 3.32Å; I76-H120 WeakPolarHBondContact CG2-ND1 3.38Å; E77-H120 IonicContact OE2-NE2 2.79Å; R116-H120 VanDerWaalsContact O-CB 3.22Å; R116-H120 WeakPolarHBondContact O-CB 3.28Å; R116-H120 PolarHBondContact O-N 3.01Å; F118-H120 VanDerWaalsContact C-N 3.33Å; F118-H120 PolarHBondContact O-N 3.45Å; H120-F122 VanDerWaalsContact C-N 3.34Å; H120-F122 PolarHBondContact O-N 3.48Å; H120-E123 WeakPolarHBondContact O-CB 3.49Å; H120-E123 PolarHBondContact O-N 3.37Å; H120-S124 PolarHBondContact CD2-OG 3.24Å; H120-S124 PolarHBondContact O-N 3.01Å; H120-S124 PolarHBondContact O-OG 3.1Å; H120-S124 VanDerWaalsContact O-OG 3.05Å; H120-H546 AromaticContact NE2-NE2 3.88Å |
| 121 | I | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | -178 | -72.8 | 165.2 | 0 | 0 | 0 | 110.9 | I76 T80 A117 F118 S124 I125 I216 L218 L236 | I76-I121 HydrophobicContact CG2-CD1 4.21Å; I76-I121 HydrophobicContact CG2-CG1 3.72Å; T80-I121 HydrophobicContact CG2-CG1 4.29Å; A117-I121 WeakPolarHBondContact O-CB 3.12Å; A117-I121 WeakPolarHBondContact O-CD1 3.31Å; A117-I121 WeakPolarHBondContact O-CG1 3.47Å; A117-I121 PolarHBondContact O-N 2.84Å; F118-I121 PolarHBondContact O-N 3.01Å; I121-S124 PolarHBondContact O-N 3.16Å; I121-I125 HydrophobicContact CG2-CD1 3.75Å; I121-I125 VanDerWaalsContact O-CG1 3.22Å; I121-I125 WeakPolarHBondContact O-CG1 3.33Å; I121-I125 PolarHBondContact O-N 2.96Å; I121-I216 HydrophobicContact CD1-CD1 3.62Å; I121-I216 HydrophobicContact CD1-CG2 4.5Å; I121-L218 HydrophobicContact CD1-CD1 4.24Å; I121-L218 HydrophobicContact CG1-CD1 4.49Å; I121-L218 HydrophobicContact CG2-CD1 4.17Å; I121-L218 HydrophobicContact CG2-CD2 3.95Å; I121-L236 HydrophobicContact CD1-CD2 3.96Å |
| 122 | F | 92.2 | Very high | 89.7 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.2 | -32.4 | 178.4 | -75.5 | -84.6 | 0 | 0 | 0 | 113 | F118 H120 Q126 V135 V179 H180 V182 I532 | F118-F122 WeakPolarHBondContact O-CD2 3.27Å; F118-F122 PolarHBondContact O-N 3.44Å; F118-F122 VanDerWaalsContact O-N 3.15Å; H120-F122 VanDerWaalsContact C-N 3.34Å; H120-F122 PolarHBondContact O-N 3.48Å; F122-Q126 WeakPolarHBondContact O-CB 3.33Å; F122-Q126 VanDerWaalsContact O-CG 3.26Å; F122-Q126 WeakPolarHBondContact O-CG 3.26Å; F122-Q126 PolarHBondContact O-N 3.29Å; F122-V135 HydrophobicContact CZ-CG1 4.42Å; F122-V135 HydrophobicContact CZ-CG2 4.48Å; F122-V179 HydrophobicContact CZ-CG2 4.35Å; F122-H180 WeakPolarHBondContact CE1-O 3.41Å; F122-V182 HydrophobicContact CB-CG2 3.69Å; F122-V182 HydrophobicContact CD2-CG2 3.82Å; F122-V182 HydrophobicContact CG-CG2 3.95Å; F122-I532 HydrophobicContact CD1-CD1 4.01Å; F122-I532 HydrophobicContact CE1-CD1 3.53Å |
| 123 | E | 89.4 | Confident | 89.5 | Confident | 23 Ų | 23 | 29 Ų | 29 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 168.1 | -81.9 | -180 | -162.5 | 0 | 0 | 111.3 | E119 H120 Q126 C127 R549 | E119-E123 WeakPolarHBondContact O-CB 3.38Å; E119-E123 WeakPolarHBondContact O-CG 3.13Å; E119-E123 PolarHBondContact O-N 3.01Å; H120-E123 WeakPolarHBondContact O-CB 3.49Å; H120-E123 PolarHBondContact O-N 3.37Å; E123-Q126 PolarHBondContact O-N 3.4Å; E123-C127 WeakPolarHBondContact O-CB 3.39Å; E123-C127 PolarHBondContact O-N 2.92Å; E123-C127 VanDerWaalsContact O-N 3.11Å; E123-C127 PolarHBondContact O-SG 3.32Å; E123-R549 IonicContact OE1-CZ 2.7Å; E123-R549 IonicContact OE1-NH1 3.89Å; E123-R549 PolarHBondContact OE1-NH1 2.87Å; E123-R549 IonicContact OE2-CZ 3.41Å; E123-R549 IonicContact OE2-NH1 3.84Å; E123-R549 PolarHBondContact OE2-NH1 2.88Å |
| 124 | S | 87.9 | Confident | 89 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 8% | 0.077 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 179.4 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | H120 I121 Q126 C127 A128 | H120-S124 PolarHBondContact CD2-OG 3.24Å; H120-S124 PolarHBondContact O-N 3.01Å; H120-S124 PolarHBondContact O-OG 3.1Å; H120-S124 VanDerWaalsContact O-OG 3.05Å; I121-S124 PolarHBondContact O-N 3.16Å; S124-Q126 VanDerWaalsContact C-N 3.33Å; S124-Q126 PolarHBondContact O-N 3.07Å; S124-C127 PolarHBondContact O-N 3.49Å; S124-A128 PolarHBondContact O-N 2.95Å; S124-A128 VanDerWaalsContact O-N 3.1Å |
| 125 | I | 87.9 | Confident | 88.9 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 177.4 | -70.1 | 169.4 | 0 | 0 | 0 | 111.6 | I121 C127 F133 V135 L218 I532 G534 | I121-I125 HydrophobicContact CG2-CD1 3.75Å; I121-I125 VanDerWaalsContact O-CG1 3.22Å; I121-I125 WeakPolarHBondContact O-CG1 3.33Å; I121-I125 PolarHBondContact O-N 2.96Å; I125-C127 VanDerWaalsContact C-N 3.33Å; I125-F133 HydrophobicContact CB-CD2 4.19Å; I125-F133 HydrophobicContact CB-CE2 4.44Å; I125-F133 HydrophobicContact CB-CG 4.42Å; I125-F133 HydrophobicContact CD1-CB 4.07Å; I125-F133 HydrophobicContact CD1-CD1 4.28Å; I125-F133 HydrophobicContact CD1-CG 4.16Å; I125-F133 HydrophobicContact CG1-CB 4.1Å; I125-F133 HydrophobicContact CG1-CD1 3.78Å; I125-F133 HydrophobicContact CG1-CD2 3.9Å; I125-F133 HydrophobicContact CG1-CE1 4.1Å; I125-F133 HydrophobicContact CG1-CE2 4.22Å; I125-F133 HydrophobicContact CG1-CG 3.67Å; I125-F133 HydrophobicContact CG1-CZ 4.31Å; I125-F133 HydrophobicContact CG2-CB 4.22Å; I125-F133 HydrophobicContact CG2-CD2 3.8Å; I125-F133 HydrophobicContact CG2-CE2 4.41Å; I125-F133 HydrophobicContact CG2-CG 4.14Å; I125-V135 HydrophobicContact CD1-CG2 3.55Å; I125-L218 HydrophobicContact CD1-CD2 4.01Å; I125-I532 HydrophobicContact CD1-CD1 4.3Å; I125-I532 HydrophobicContact CG2-CB 4.47Å; I125-I532 HydrophobicContact CG2-CD1 3.91Å; I125-I532 HydrophobicContact CG2-CG1 3.92Å; I125-G534 PolarHBondContact O-N 2.9Å; I125-G534 VanDerWaalsContact O-N 3.14Å |
| 126 | Q | 85.3 | Confident | 88.9 | Confident | 54 Ų | 54 | 32.3 Ų | 32.3 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -70.7 | -27.9 | 178.8 | -75.4 | 177.7 | 1.9 | 0 | 0 | 113 | F122 E123 S124 Q536 A537 | F122-Q126 WeakPolarHBondContact O-CB 3.33Å; F122-Q126 VanDerWaalsContact O-CG 3.26Å; F122-Q126 WeakPolarHBondContact O-CG 3.26Å; F122-Q126 PolarHBondContact O-N 3.29Å; E123-Q126 PolarHBondContact O-N 3.4Å; S124-Q126 VanDerWaalsContact C-N 3.33Å; S124-Q126 PolarHBondContact O-N 3.07Å; Q126-Q536 HydrophobicContact CB-CB 4.26Å; Q126-Q536 CarbonylContact O-C 3.48Å; Q126-Q536 PolarHBondContact O-N 3.4Å; Q126-A537 PolarHBondContact O-N 2.99Å |
| 127 | C | 82.1 | Confident | 88.9 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 16% | 0.162 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -86.6 | -14.9 | 178.2 | -66.3 | 0 | 0 | 0 | 0 | 114.3 | E123 S124 I125 | E123-C127 WeakPolarHBondContact O-CB 3.39Å; E123-C127 PolarHBondContact O-N 2.92Å; E123-C127 VanDerWaalsContact O-N 3.11Å; E123-C127 PolarHBondContact O-SG 3.32Å; S124-C127 PolarHBondContact O-N 3.49Å; I125-C127 VanDerWaalsContact C-N 3.33Å |
| 128 | A | 82.6 | Confident | 88.9 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 17% | 0.165 | 16% | 0.158 | C | C | . | . | trans | -78 | 124.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S124 F133 G534 | S124-A128 PolarHBondContact O-N 2.95Å; S124-A128 VanDerWaalsContact O-N 3.1Å; A128-F133 HydrophobicContact CB-CE2 3.74Å; A128-F133 HydrophobicContact CB-CZ 4.03Å; A128-G534 WeakPolarHBondContact O-CA 3.25Å; A128-G534 PolarHBondContact O-N 2.87Å | ||
| 129 | E | 78 | Confident | 88.9 | Confident | 120 Ų | 120 | 31.9 Ų | 31.9 | 56% | 0.561 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -86.1 | 149.1 | 171.5 | -67 | -174.4 | 167.6 | 0 | 0 | 111 | T131 A537 | E129-T131 PolarHBondContact O-N 3.37Å; E129-T131 PolarHBondContact O-OG1 3.47Å; E129-A537 HydrophobicContact CG-CB 3.59Å |
| 130 | N | 80 | Confident | 88.9 | Confident | 125 Ų | 125 | 30 Ų | 30 | 67% | 0.668 | 15% | 0.149 | S | C | * | . | S | Bend | trans | 51.7 | 16.4 | 177.8 | -55.4 | -17 | 0 | 0 | 0 | 116.1 | T223 | N130-T223 PolarHBondContact O-N 3.45Š|
| 131 | T | 84.2 | Confident | 88.9 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 13% | 0.129 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 126.1 | -176.4 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | E129 F133 I220 C221 N222 | E129-T131 PolarHBondContact O-N 3.37Å; E129-T131 PolarHBondContact O-OG1 3.47Å; T131-F133 HydrophobicContact CG2-CD2 4.19Å; T131-F133 HydrophobicContact CG2-CE1 4.26Å; T131-F133 HydrophobicContact CG2-CE2 3.47Å; T131-F133 VanDerWaalsContact CG2-CE2 3.47Å; T131-F133 HydrophobicContact CG2-CZ 3.51Å; T131-I220 HydrophobicContact CG2-CG2 3.5Å; T131-C221 CarbonylContact C-O 3.53Å; T131-C221 WeakPolarHBondContact CA-O 3.28Å; T131-N222 HydrophobicContact CG2-CB 4.19Å |
| 132 | K | 84.9 | Confident | 88.7 | Confident | 107 Ų | 107 | 30.2 Ų | 30.2 | 47% | 0.465 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 142.1 | 175.9 | -74.6 | 173.6 | -178.4 | 174.5 | 0 | 109.7 | C221 V531 | K132-C221 HydrophobicContact CB-CB 4.23Å; K132-C221 PolarHBondContact N-O 2.84Å; K132-C221 PolarHBondContact O-N 3.4Å; K132-V531 HydrophobicContact CB-CG1 3.6Å; K132-V531 HydrophobicContact CD-CG1 4.17Å; K132-V531 HydrophobicContact CG-CG1 3.92Å |
| 133 | F | 89.3 | Confident | 88.4 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.4 | -179.3 | -60.7 | -101.8 | 0 | 0 | 0 | 110.8 | I125 A128 T131 L218 E219 I220 I532 | I125-F133 HydrophobicContact CB-CD2 4.19Å; I125-F133 HydrophobicContact CB-CE2 4.44Å; I125-F133 HydrophobicContact CB-CG 4.42Å; I125-F133 HydrophobicContact CD1-CB 4.07Å; I125-F133 HydrophobicContact CD1-CD1 4.28Å; I125-F133 HydrophobicContact CD1-CG 4.16Å; I125-F133 HydrophobicContact CG1-CB 4.1Å; I125-F133 HydrophobicContact CG1-CD1 3.78Å; I125-F133 HydrophobicContact CG1-CD2 3.9Å; I125-F133 HydrophobicContact CG1-CE1 4.1Å; I125-F133 HydrophobicContact CG1-CE2 4.22Å; I125-F133 HydrophobicContact CG1-CG 3.67Å; I125-F133 HydrophobicContact CG1-CZ 4.31Å; I125-F133 HydrophobicContact CG2-CB 4.22Å; I125-F133 HydrophobicContact CG2-CD2 3.8Å; I125-F133 HydrophobicContact CG2-CE2 4.41Å; I125-F133 HydrophobicContact CG2-CG 4.14Å; A128-F133 HydrophobicContact CB-CE2 3.74Å; A128-F133 HydrophobicContact CB-CZ 4.03Å; T131-F133 HydrophobicContact CG2-CD2 4.19Å; T131-F133 HydrophobicContact CG2-CE1 4.26Å; T131-F133 HydrophobicContact CG2-CE2 3.47Å; T131-F133 VanDerWaalsContact CG2-CE2 3.47Å; T131-F133 HydrophobicContact CG2-CZ 3.51Å; F133-L218 HydrophobicContact CD1-CD2 4.25Å; F133-E219 CarbonylContact C-O 3.57Å; F133-E219 VanDerWaalsContact CA-O 3.32Å; F133-E219 WeakPolarHBondContact CA-O 3.4Å; F133-I220 HydrophobicContact CD1-CB 4.35Å; F133-I220 HydrophobicContact CD1-CG1 3.84Å; F133-I220 HydrophobicContact CD1-CG2 4.09Å; F133-I220 HydrophobicContact CE1-CB 4.38Å; F133-I220 HydrophobicContact CE1-CD1 4.44Å; F133-I220 HydrophobicContact CE1-CG1 3.92Å; F133-I220 HydrophobicContact CE1-CG2 3.75Å; F133-I220 HydrophobicContact CZ-CG2 4.22Å; F133-I532 HydrophobicContact CB-CG1 4.4Å; F133-I532 PolarHBondContact N-O 2.99Å; F133-I532 WeakPolarHBondContact O-CG1 3.14Å; F133-I532 PolarHBondContact O-N 3.35Å |
| 134 | L | 88.1 | Confident | 88 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 14% | 0.141 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 117 | 164.1 | 174.4 | 62.7 | 0 | 0 | 0 | 108 | R136 T178 E219 E530 V531 | L134-R136 HydrophobicContact CG-CG 4.33Å; L134-T178 HydrophobicContact CD1-CG2 3.63Å; L134-E219 HydrophobicContact CB-CB 4.24Å; L134-E219 PolarHBondContact N-O 3.37Å; L134-E219 PolarHBondContact O-N 3.02Å; L134-E530 HydrophobicContact CD1-CB 4.04Å; L134-E530 WeakPolarHBondContact CD1-O 3.26Å; L134-V531 HydrophobicContact CB-CG2 4.42Å |
| 135 | V | 93.5 | Very high | 88 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.7 | -176.9 | -164.8 | 0 | 0 | 0 | 0 | 109.3 | F122 I125 T178 V179 I216 H217 L218 I532 | F122-V135 HydrophobicContact CZ-CG1 4.42Å; F122-V135 HydrophobicContact CZ-CG2 4.48Å; I125-V135 HydrophobicContact CD1-CG2 3.55Å; V135-T178 WeakPolarHBondContact O-CA 3.38Å; V135-V179 HydrophobicContact CB-CG2 3.94Å; V135-V179 HydrophobicContact CG1-CG2 3.69Å; V135-V179 WeakPolarHBondContact O-CG2 3.21Å; V135-V179 PolarHBondContact O-N 2.96Å; V135-I216 HydrophobicContact CG1-CG2 3.64Å; V135-H217 WeakPolarHBondContact CA-O 3.46Å; V135-L218 HydrophobicContact CG1-CD2 4.3Å; V135-L218 HydrophobicContact CG2-CD2 3.85Å; V135-I532 HydrophobicContact CG2-CD1 4.05Å |
| 136 | R | 93.7 | Very high | 88 | Confident | 63 Ų | 63 | 35 Ų | 35 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.5 | 176.6 | -56.6 | -174.9 | -54.8 | -117.8 | -5.8 | 110.9 | L134 M176 H177 H217 E219 | L134-R136 HydrophobicContact CG-CG 4.33Å; R136-M176 HydrophobicContact CB-CE 3.95Å; R136-H177 CarbonylContact C-O 3.57Å; R136-H177 VanDerWaalsContact CA-O 3.29Å; R136-H177 WeakPolarHBondContact CA-O 3.47Å; R136-H217 HydrophobicContact CB-CB 4.48Å; R136-H217 PolarHBondContact N-O 3.03Å; R136-H217 PolarHBondContact O-N 2.92Å; R136-E219 IonicContact CZ-OE1 2.76Å; R136-E219 IonicContact CZ-OE2 3.54Å; R136-E219 VanDerWaalsContact NH1-CD 3.3Å; R136-E219 IonicContact NH1-OE1 3.77Å; R136-E219 PolarHBondContact NH1-OE1 2.78Å; R136-E219 IonicContact NH1-OE2 3.34Å; R136-E219 PolarHBondContact NH1-OE2 3.44Å; R136-E219 VanDerWaalsContact NH1-OE2 3.08Å; R136-E219 IonicContact NH2-OE1 2.87Å; R136-E219 PolarHBondContact NH2-OE1 2.87Å |
| 137 | A | 95.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H177 V179 F214 T215 | A137-H177 PolarHBondContact N-O 2.86Å; A137-H177 PolarHBondContact O-N 3.49Å; A137-V179 HydrophobicContact CB-CG1 4.34Å; A137-V179 HydrophobicContact CB-CG2 4.33Å; A137-F214 HydrophobicContact CB-CE1 4.05Å; A137-F214 HydrophobicContact CB-CZ 3.9Å; A137-T215 WeakPolarHBondContact CA-O 2.85Å |
| 138 | S | 95.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 154.7 | 163.9 | 60 | 0 | 0 | 0 | 0 | 110.3 | T175 M176 T215 | S138-T175 VanDerWaalsContact CB-O 3.31Å; S138-T175 WeakPolarHBondContact CB-O 3.2Å; S138-M176 VanDerWaalsContact CB-SD 3.56Å; S138-T215 PolarHBondContact N-O 3.21Å; S138-T215 PolarHBondContact O-N 3.37Å |
| 139 | Y | 95.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 122.6 | -178 | -168.9 | -166.5 | 0 | 0 | 0 | 109.6 | L150 L151 M189 F214 | Y139-L150 HydrophobicContact CD1-CB 4.34Å; Y139-L150 HydrophobicContact CD1-CD1 4.09Å; Y139-L150 HydrophobicContact CD2-CD1 3.87Å; Y139-L150 HydrophobicContact CE1-CD1 4.06Å; Y139-L150 HydrophobicContact CE2-CD1 3.85Å; Y139-L150 HydrophobicContact CG-CB 4.33Å; Y139-L150 HydrophobicContact CG-CD1 3.99Å; Y139-L150 WeakPolarHBondContact O-CB 3.42Å; Y139-L150 PolarHBondContact O-N 2.94Å; Y139-L151 HydrophobicContact CD1-CD2 4.37Å; Y139-M189 HydrophobicContact CD1-SD 4.23Å; Y139-M189 HydrophobicContact CE1-CE 4.35Å; Y139-M189 HydrophobicContact CE1-SD 3.53Å; Y139-M189 VanDerWaalsContact CE1-SD 3.53Å; Y139-M189 WeakPolarHBondContact OH-CE 3.28Å; Y139-F214 AromaticContact CD1-CD2 3.71Å; Y139-F214 HydrophobicContact CD1-CD2 3.71Å; Y139-F214 HydrophobicContact CD1-CE2 4.21Å; Y139-F214 HydrophobicContact CD2-CB 3.77Å; Y139-F214 AromaticContact CD2-CD2 3.86Å; Y139-F214 HydrophobicContact CD2-CD2 3.86Å; Y139-F214 HydrophobicContact CD2-CG 4.27Å; Y139-F214 HydrophobicContact CE1-CD2 4.21Å; Y139-F214 HydrophobicContact CE2-CB 4.04Å; Y139-F214 HydrophobicContact CE2-CD2 4.32Å; Y139-F214 HydrophobicContact CG-CB 4.32Å; Y139-F214 AromaticContact CG-CD2 3.53Å; Y139-F214 HydrophobicContact CG-CD2 3.53Å; Y139-F214 HydrophobicContact CG-CE2 4.28Å; Y139-F214 HydrophobicContact CG-CG 4.31Å |
| 140 | L | 94.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 162.3 | -179.2 | 66.4 | 80 | 0 | 0 | 0 | 111.6 | I142 V147 R148 V171 L174 S212 I213 L295 | L140-I142 HydrophobicContact CD1-CG1 3.9Å; L140-V147 HydrophobicContact CB-CG1 4.44Å; L140-V147 HydrophobicContact CD1-CG1 4.36Å; L140-V147 HydrophobicContact CD2-CG1 4.09Å; L140-R148 CarbonylContact C-O 3.04Å; L140-R148 VanDerWaalsContact CA-O 3.26Å; L140-R148 WeakPolarHBondContact CA-O 3.4Å; L140-R148 WeakPolarHBondContact CB-O 3.3Å; L140-V171 HydrophobicContact CD2-CG2 3.74Å; L140-L174 HydrophobicContact CB-CD1 4.17Å; L140-L174 HydrophobicContact CD2-CD1 4.48Å; L140-L174 HydrophobicContact CD2-CD2 4.14Å; L140-S212 WeakPolarHBondContact O-CA 3.27Å; L140-I213 HydrophobicContact CD1-CB 3.84Å; L140-I213 HydrophobicContact CD1-CD1 4.22Å; L140-I213 HydrophobicContact CD1-CG1 4.03Å; L140-I213 HydrophobicContact CG-CB 4.1Å; L140-I213 PolarHBondContact N-O 2.67Å; L140-I213 PolarHBondContact O-N 3.05Å; L140-L295 HydrophobicContact CD2-CD1 4.5Å |
| 141 | E | 92.1 | Very high | 90.5 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 154.5 | 159.4 | 70.4 | 172.8 | 179.4 | 0 | 0 | 112.5 | V147 R148 L150 S210 H211 | E141-V147 WeakPolarHBondContact O-CA 3.49Å; E141-R148 HydrophobicContact CG-CB 3.92Å; E141-R148 PolarHBondContact N-O 2.9Å; E141-R148 PolarHBondContact O-N 3.06Å; E141-L150 HydrophobicContact CB-CD1 4.2Å; E141-L150 HydrophobicContact CB-CD2 4.34Å; E141-L150 HydrophobicContact CB-CG 4.36Å; E141-L150 HydrophobicContact CG-CD2 3.92Å; E141-L150 HydrophobicContact CG-CG 4.36Å; E141-S210 WeakPolarHBondContact OE2-CB 3.41Å; E141-S210 PolarHBondContact OE2-OG 3.35Å; E141-H211 CarbonylContact C-O 3.54Å; E141-H211 VanDerWaalsContact CA-O 3.26Å; E141-H211 WeakPolarHBondContact CA-O 3.32Å |
| 142 | I | 90.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 108 | 168.2 | -48.1 | 177.4 | 0 | 0 | 0 | 106.2 | L140 E146 S210 H211 I213 L292 L295 | L140-I142 HydrophobicContact CD1-CG1 3.9Å; I142-E146 WeakPolarHBondContact CA-O 3.34Å; I142-S210 WeakPolarHBondContact O-CA 3.49Å; I142-H211 HydrophobicContact CB-CB 4.34Å; I142-H211 PolarHBondContact N-O 2.99Å; I142-H211 PolarHBondContact O-N 2.92Å; I142-I213 HydrophobicContact CD1-CD1 4.26Å; I142-L292 HydrophobicContact CD1-CB 3.93Å; I142-L292 HydrophobicContact CD1-CD1 3.9Å; I142-L295 HydrophobicContact CD1-CD1 3.75Å; I142-L295 HydrophobicContact CG1-CD1 4.41Å |
| 143 | Y | 85.9 | Confident | 90.6 | Very high | 34 Ų | 34 | 22.6 Ų | 22.6 | 13% | 0.133 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.5 | 178.7 | 174.3 | -110.1 | 0 | 0 | 0 | 108.7 | E145 E146 M203 R209 E259 | Y143-E145 PolarHBondContact O-N 2.93Å; Y143-E146 PolarHBondContact N-O 2.66Å; Y143-E146 WeakPolarHBondContact O-CA 3.28Å; Y143-E146 WeakPolarHBondContact O-CB 3.44Å; Y143-E146 PolarHBondContact O-N 2.6Å; Y143-M203 HydrophobicContact CE1-SD 3.98Å; Y143-R209 WeakPolarHBondContact CD2-O 3.26Å; Y143-E259 HydrophobicContact CE2-CG 4.07Å; Y143-E259 PolarHBondContact OH-OE1 3.25Å |
| 144 | N | 80.4 | Confident | 90.4 | Very high | 44 Ų | 44 | 26.1 Ų | 26.1 | 24% | 0.235 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 28.6 | 177.6 | -165.6 | 65 | 0 | 0 | 0 | 113.8 | E146 K262 | N144-E146 PolarHBondContact O-N 3.05Å; N144-K262 HydrophobicContact CB-CD 4.4Å; N144-K262 PolarHBondContact ND2-NZ 3.5Å; N144-K262 WeakPolarHBondContact O-CD 3.47Å; N144-K262 WeakPolarHBondContact O-CE 3.29Å; N144-K262 PolarHBondContact O-NZ 2.89Å; N144-K262 WeakPolarHBondContact OD1-CD 3.42Å |
| 145 | E | 87.1 | Confident | 90 | Very high | 29 Ų | 29 | 27 Ų | 27 | 14% | 0.136 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 26.3 | -167.6 | -65.4 | -59.1 | 118.8 | 0 | 0 | 115 | Y143 L265 S266 S290 K291 | Y143-E145 PolarHBondContact O-N 2.93Å; E145-L265 HydrophobicContact CG-CD2 4.4Å; E145-S266 WeakPolarHBondContact OE1-CB 3.49Å; E145-S266 PolarHBondContact OE1-OG 3.49Å; E145-S290 WeakPolarHBondContact OE2-CA 3.39Å; E145-S290 WeakPolarHBondContact OE2-CB 3.38Å; E145-K291 PolarHBondContact OE2-N 3.46Å |
| 146 | E | 87.9 | Confident | 89.3 | Confident | 36 Ų | 36 | 34 Ų | 34 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.6 | 171.5 | -53.1 | 179.1 | 169.2 | 0 | 0 | 109.2 | I142 Y143 N144 R148 K158 | I142-E146 WeakPolarHBondContact CA-O 3.34Å; Y143-E146 PolarHBondContact N-O 2.66Å; Y143-E146 WeakPolarHBondContact O-CA 3.28Å; Y143-E146 WeakPolarHBondContact O-CB 3.44Å; Y143-E146 PolarHBondContact O-N 2.6Å; N144-E146 PolarHBondContact O-N 3.05Å; E146-R148 IonicContact OE2-CZ 2.74Å; E146-R148 IonicContact OE2-NE 3.89Å; E146-R148 IonicContact OE2-NH2 3.96Å; E146-R148 PolarHBondContact OE2-NH2 3.22Å; E146-K158 HydrophobicContact CB-CD 4.49Å; E146-K158 VanDerWaalsContact CD-CE 3.43Å; E146-K158 VanDerWaalsContact CD-NZ 3.28Å; E146-K158 HydrophobicContact CG-CD 4.24Å; E146-K158 WeakPolarHBondContact OE1-CE 3.43Å; E146-K158 IonicContact OE1-NZ 2.75Å; E146-K158 PolarHBondContact OE1-NZ 2.97Å; E146-K158 VanDerWaalsContact OE2-CE 3.3Å; E146-K158 WeakPolarHBondContact OE2-CE 3.4Å; E146-K158 IonicContact OE2-NZ 3.18Å |
| 147 | V | 91.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.9 | 173.9 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | L140 E141 H159 L161 V171 K291 | L140-V147 HydrophobicContact CB-CG1 4.44Å; L140-V147 HydrophobicContact CD1-CG1 4.36Å; L140-V147 HydrophobicContact CD2-CG1 4.09Å; E141-V147 WeakPolarHBondContact O-CA 3.49Å; V147-H159 HydrophobicContact CB-CB 4.46Å; V147-H159 HydrophobicContact CG1-CB 4.44Å; V147-H159 PolarHBondContact O-N 3.07Å; V147-L161 HydrophobicContact CG2-CD2 4.21Å; V147-L161 HydrophobicContact CG2-CG 4.46Å; V147-V171 HydrophobicContact CG1-CG1 3.96Å; V147-V171 HydrophobicContact CG1-CG2 4.2Å; V147-K291 HydrophobicContact CG2-CB 4.33Å |
| 148 | R | 91.1 | Very high | 88.5 | Confident | 34 Ų | 34 | 41 Ų | 41 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.7 | -177.4 | -67.9 | 162.4 | 178.6 | -86.6 | -9.8 | 109.7 | L140 E141 E146 | L140-R148 CarbonylContact C-O 3.04Å; L140-R148 VanDerWaalsContact CA-O 3.26Å; L140-R148 WeakPolarHBondContact CA-O 3.4Å; L140-R148 WeakPolarHBondContact CB-O 3.3Å; E141-R148 HydrophobicContact CG-CB 3.92Å; E141-R148 PolarHBondContact N-O 2.9Å; E141-R148 PolarHBondContact O-N 3.06Å; E146-R148 IonicContact OE2-CZ 2.74Å; E146-R148 IonicContact OE2-NE 3.89Å; E146-R148 IonicContact OE2-NH2 3.96Å; E146-R148 PolarHBondContact OE2-NH2 3.22Å |
| 149 | D | 94.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 127.9 | 170.8 | -169.3 | -24.2 | 0 | 0 | 0 | 109.6 | L151 G152 L174 T175 | D149-L151 WeakPolarHBondContact OD1-CA 3.46Å; D149-L151 PolarHBondContact OD1-N 3.36Å; D149-G152 VanDerWaalsContact CG-N 3.28Å; D149-G152 PolarHBondContact OD1-N 3.27Å; D149-L174 HydrophobicContact CB-CD1 4.07Å; D149-T175 WeakPolarHBondContact OD2-CB 3.46Å; D149-T175 PolarHBondContact OD2-N 2.96Å; D149-T175 PolarHBondContact OD2-OG1 2.95Å |
| 150 | L | 92.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -91.1 | -8.5 | 178.1 | -66.5 | 176.2 | 0 | 0 | 0 | 112.9 | Y139 E141 N195 R196 | Y139-L150 HydrophobicContact CD1-CB 4.34Å; Y139-L150 HydrophobicContact CD1-CD1 4.09Å; Y139-L150 HydrophobicContact CD2-CD1 3.87Å; Y139-L150 HydrophobicContact CE1-CD1 4.06Å; Y139-L150 HydrophobicContact CE2-CD1 3.85Å; Y139-L150 HydrophobicContact CG-CB 4.33Å; Y139-L150 HydrophobicContact CG-CD1 3.99Å; Y139-L150 WeakPolarHBondContact O-CB 3.42Å; Y139-L150 PolarHBondContact O-N 2.94Å; E141-L150 HydrophobicContact CB-CD1 4.2Å; E141-L150 HydrophobicContact CB-CD2 4.34Å; E141-L150 HydrophobicContact CB-CG 4.36Å; E141-L150 HydrophobicContact CG-CD2 3.92Å; E141-L150 HydrophobicContact CG-CG 4.36Å; L150-N195 HydrophobicContact CD2-CB 4.43Å; L150-N195 PolarHBondContact O-ND2 3.2Å; L150-R196 HydrophobicContact CD1-CB 4.38Å; L150-R196 HydrophobicContact CD2-CB 4.09Å |
| 151 | L | 92.8 | Very high | 87.7 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -111.8 | -28.8 | -177.8 | -51.5 | -178.3 | 0 | 0 | 0 | 112.4 | Y139 D149 I188 | Y139-L151 HydrophobicContact CD1-CD2 4.37Å; D149-L151 WeakPolarHBondContact OD1-CA 3.46Å; D149-L151 PolarHBondContact OD1-N 3.36Å; L151-I188 HydrophobicContact CD1-CG2 3.55Å; L151-I188 HydrophobicContact CD2-CG2 3.68Å; L151-I188 WeakPolarHBondContact CD2-O 3.32Å; L151-I188 HydrophobicContact CG-CG2 4.27Å |
| 152 | G | 87.1 | Confident | 87.5 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -58.4 | 154.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D149 N154 T175 | D149-G152 VanDerWaalsContact CG-N 3.28Å; D149-G152 PolarHBondContact OD1-N 3.27Å; G152-N154 PolarHBondContact O-N 3.09Å; G152-N154 VanDerWaalsContact O-N 3.13Å; G152-T175 WeakPolarHBondContact CA-OG1 3.46Å |
| 153 | S | 82.7 | Confident | 87.3 | Confident | 138 Ų | 138 | 52.1 Ų | 52.1 | 97% | 0.965 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -61.8 | -21.9 | -175.9 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 154 | N | 85.1 | Confident | 86.8 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | trans | -128.6 | 85.4 | 177 | -179.1 | 12.7 | 0 | 0 | 0 | 111.1 | G152 K156 Q157 | G152-N154 PolarHBondContact O-N 3.09Å; G152-N154 VanDerWaalsContact O-N 3.13Å; N154-K156 PolarHBondContact O-N 3.32Å; N154-K156 WeakPolarHBondContact OD1-CB 3.35Å; N154-K156 PolarHBondContact OD1-N 3.23Å; N154-Q157 HydrophobicContact CB-CB 4.4Å; N154-Q157 WeakPolarHBondContact O-CB 3.35Å; N154-Q157 PolarHBondContact O-N 2.83Å | ||
| 155 | T | 79.9 | Confident | 86.4 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -0.4 | 178.1 | 60.3 | 0 | 0 | 0 | 0 | 115 | N195 | T155-N195 HydrophobicContact CG2-CB 4.06Š|
| 156 | K | 78.4 | Confident | 85.3 | Confident | 148 Ų | 148 | 65.1 Ų | 65.1 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -9.6 | 171 | -61.3 | 177.3 | -177.6 | 173.6 | 0 | 113.1 | N154 | N154-K156 PolarHBondContact O-N 3.32Å; N154-K156 WeakPolarHBondContact OD1-CB 3.35Å; N154-K156 PolarHBondContact OD1-N 3.23Å |
| 157 | Q | 85.5 | Confident | 84.3 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | trans | -62.8 | 140.6 | 172.9 | -175.2 | 163.3 | -28.7 | 0 | 0 | 110 | N154 | N154-Q157 HydrophobicContact CB-CB 4.4Å; N154-Q157 WeakPolarHBondContact O-CB 3.35Å; N154-Q157 PolarHBondContact O-N 2.83Å | ||
| 158 | K | 87 | Confident | 83.7 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | trans | -97 | 135.6 | 172.6 | -56.2 | -172.7 | -167.1 | -171.4 | 0 | 108.1 | E146 | E146-K158 HydrophobicContact CB-CD 4.49Å; E146-K158 VanDerWaalsContact CD-CE 3.43Å; E146-K158 VanDerWaalsContact CD-NZ 3.28Å; E146-K158 HydrophobicContact CG-CD 4.24Å; E146-K158 WeakPolarHBondContact OE1-CE 3.43Å; E146-K158 IonicContact OE1-NZ 2.75Å; E146-K158 PolarHBondContact OE1-NZ 2.97Å; E146-K158 VanDerWaalsContact OE2-CE 3.3Å; E146-K158 WeakPolarHBondContact OE2-CE 3.4Å; E146-K158 IonicContact OE2-NZ 3.18Å | ||
| 159 | H | 89.5 | Confident | 83.5 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 7% | 0.069 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 145.6 | 176.8 | -63.3 | -108 | 0 | 0 | 0 | 109.8 | V147 V171 Q172 D173 | V147-H159 HydrophobicContact CB-CB 4.46Å; V147-H159 HydrophobicContact CG1-CB 4.44Å; V147-H159 PolarHBondContact O-N 3.07Å; H159-V171 HydrophobicContact CB-CG1 3.46Å; H159-V171 VanDerWaalsContact CB-CG1 3.46Å; H159-Q172 PolarHBondContact ND1-O 3.07Å; H159-D173 PolarHBondContact CE1-O 3.39Å; H159-D173 PolarHBondContact ND1-O 3Å |
| 160 | E | 89.8 | Confident | 83.3 | Confident | 63 Ų | 63 | 70.8 Ų | 70.8 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | trans | -103.4 | 156.7 | -179.9 | -74.7 | -59.6 | 166.5 | 0 | 0 | 113.4 | Q172 K291 | E160-Q172 PolarHBondContact O-N 2.86Å; E160-K291 IonicContact OE1-NZ 3.68Å; E160-K291 IonicContact OE2-NZ 3.33Å; E160-K291 PolarHBondContact OE2-NZ 3.39Å | ||
| 161 | L | 90.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.6 | -179.8 | -64.4 | -171.6 | 0 | 0 | 0 | 111.6 | V147 V169 F170 V171 K291 R294 L295 | V147-L161 HydrophobicContact CG2-CD2 4.21Å; V147-L161 HydrophobicContact CG2-CG 4.46Å; L161-V169 HydrophobicContact CB-CG1 4.46Å; L161-V169 HydrophobicContact CD1-CG1 4.47Å; L161-F170 WeakPolarHBondContact CA-O 3.36Å; L161-V171 HydrophobicContact CD2-CB 4.46Å; L161-V171 HydrophobicContact CD2-CG2 3.75Å; L161-K291 HydrophobicContact CD1-CB 3.83Å; L161-K291 HydrophobicContact CD1-CD 3.83Å; L161-K291 HydrophobicContact CD1-CG 4.37Å; L161-K291 WeakPolarHBondContact CD1-O 3.48Å; L161-K291 HydrophobicContact CG-CD 4.05Å; L161-R294 HydrophobicContact CD1-CB 3.83Å; L161-R294 PolarHBondContact O-NH2 2.91Å; L161-L295 HydrophobicContact CD1-CG 4.09Å; L161-L295 HydrophobicContact CD2-CD1 4.01Å; L161-L295 HydrophobicContact CD2-CD2 3.75Å; L161-L295 HydrophobicContact CD2-CG 3.84Å |
| 162 | K | 88.5 | Confident | 83 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 158.3 | 174.4 | -76 | -176.6 | 165.6 | 173.5 | 0 | 111.1 | F170 Q172 | K162-F170 HydrophobicContact CB-CD1 4.18Å; K162-F170 HydrophobicContact CB-CE1 3.54Å; K162-F170 HydrophobicContact CB-CE2 4.23Å; K162-F170 HydrophobicContact CB-CZ 3.58Å; K162-F170 HydrophobicContact CD-CZ 4.48Å; K162-F170 PolarHBondContact N-O 3.1Å; K162-F170 WeakPolarHBondContact O-CD1 3.41Å; K162-F170 PolarHBondContact O-N 3.38Å; K162-Q172 HydrophobicContact CD-CB 4.42Å; K162-Q172 HydrophobicContact CD-CG 4.35Å |
| 163 | E | 85.3 | Confident | 83 | Confident | 80 Ų | 80 | 77.9 Ų | 77.9 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.3 | -178.1 | -59.2 | -177.9 | -174.8 | 0 | 0 | 107.7 | G168 V169 R288 R294 | E163-G168 WeakPolarHBondContact CA-O 3.49Å; E163-V169 HydrophobicContact CG-CG2 4.23Å; E163-R288 IonicContact OE1-CZ 2.76Å; E163-R288 IonicContact OE1-NE 2.67Å; E163-R288 IonicContact OE1-NH2 3.21Å; E163-R288 PolarHBondContact OE1-NH2 3.43Å; E163-R288 IonicContact OE2-CZ 3.76Å; E163-R288 IonicContact OE2-NH2 3.08Å; E163-R288 PolarHBondContact OE2-NH2 2.88Å; E163-R294 IonicContact OE1-CZ 3.72Å; E163-R294 IonicContact OE1-NE 2.89Å; E163-R294 PolarHBondContact OE1-NE 3.21Å; E163-R294 IonicContact OE1-NH2 3.11Å; E163-R294 PolarHBondContact OE1-NH2 3.16Å |
| 164 | H | 76.4 | Confident | 83.4 | Confident | 80 Ų | 80 | 72.8 Ų | 72.8 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.9 | 176.2 | -168.9 | -112.6 | 0 | 0 | 0 | 109.7 | E166 C167 G168 F170 | H164-E166 IonicContact CE1-OE2 2.68Å; H164-E166 PolarHBondContact CE1-OE2 3.43Å; H164-E166 PolarHBondContact O-N 3.11Å; H164-E166 VanDerWaalsContact O-N 3.12Å; H164-C167 HydrophobicContact CB-CB 4Å; H164-C167 PolarHBondContact ND1-SG 3.43Å; H164-C167 VanDerWaalsContact ND1-SG 3.39Å; H164-C167 PolarHBondContact O-N 3.44Å; H164-G168 PolarHBondContact N-O 3.22Å; H164-G168 PolarHBondContact O-N 3.14Å; H164-F170 HydrophobicContact CB-CD1 4.28Å; H164-F170 HydrophobicContact CB-CE1 3.93Å |
| 165 | P | 70.9 | Confident | 83.7 | Confident | 128 Ų | 128 | 71 Ų | 71 | 83% | 0.831 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32.2 | -177.5 | -28.1 | 36.5 | 0 | 0 | 0 | 114.6 | ||
| 166 | E | 65.1 | Low | 84.2 | Confident | 172 Ų | 172 | 72.3 Ų | 72.3 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -29.3 | -177.1 | -57.9 | 176.2 | 143.2 | 0 | 0 | 113.3 | H164 | H164-E166 IonicContact CE1-OE2 2.68Å; H164-E166 PolarHBondContact CE1-OE2 3.43Å; H164-E166 PolarHBondContact O-N 3.11Å; H164-E166 VanDerWaalsContact O-N 3.12Å |
| 167 | C | 66 | Low | 84.9 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 55% | 0.554 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -3.1 | -171.7 | -49.5 | 0 | 0 | 0 | 0 | 113.9 | H164 | H164-C167 HydrophobicContact CB-CB 4Å; H164-C167 PolarHBondContact ND1-SG 3.43Å; H164-C167 VanDerWaalsContact ND1-SG 3.39Å; H164-C167 PolarHBondContact O-N 3.44Å |
| 168 | G | 80 | Confident | 85.2 | Confident | 22 Ų | 22 | 66 Ų | 66 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70 | -145.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E163 H164 | E163-G168 WeakPolarHBondContact CA-O 3.49Å; H164-G168 PolarHBondContact N-O 3.22Å; H164-G168 PolarHBondContact O-N 3.14Å |
| 169 | V | 86.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.3 | 178 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | L161 E163 R294 | L161-V169 HydrophobicContact CB-CG1 4.46Å; L161-V169 HydrophobicContact CD1-CG1 4.47Å; E163-V169 HydrophobicContact CG-CG2 4.23Å; V169-R294 HydrophobicContact CG1-CB 4.12Å; V169-R294 WeakPolarHBondContact CG2-O 3.45Å |
| 170 | F | 88.4 | Confident | 85.4 | Confident | 83 Ų | 83 | 63 Ų | 63 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 163.3 | 178 | 74.7 | -77.7 | 0 | 0 | 0 | 112.4 | L161 K162 H164 | L161-F170 WeakPolarHBondContact CA-O 3.36Å; K162-F170 HydrophobicContact CB-CD1 4.18Å; K162-F170 HydrophobicContact CB-CE1 3.54Å; K162-F170 HydrophobicContact CB-CE2 4.23Å; K162-F170 HydrophobicContact CB-CZ 3.58Å; K162-F170 HydrophobicContact CD-CZ 4.48Å; K162-F170 PolarHBondContact N-O 3.1Å; K162-F170 WeakPolarHBondContact O-CD1 3.41Å; K162-F170 PolarHBondContact O-N 3.38Å; H164-F170 HydrophobicContact CB-CD1 4.28Å; H164-F170 HydrophobicContact CB-CE1 3.93Å |
| 171 | V | 91.3 | Very high | 85.4 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.9 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | L140 V147 H159 L161 L174 L295 | L140-V171 HydrophobicContact CD2-CG2 3.74Å; V147-V171 HydrophobicContact CG1-CG1 3.96Å; V147-V171 HydrophobicContact CG1-CG2 4.2Å; H159-V171 HydrophobicContact CB-CG1 3.46Å; H159-V171 VanDerWaalsContact CB-CG1 3.46Å; L161-V171 HydrophobicContact CD2-CB 4.46Å; L161-V171 HydrophobicContact CD2-CG2 3.75Å; V171-L174 HydrophobicContact CB-CB 3.99Å; V171-L174 HydrophobicContact CB-CD2 4.16Å; V171-L174 HydrophobicContact CG1-CB 4Å; V171-L174 HydrophobicContact CG2-CD2 4.38Å; V171-L295 HydrophobicContact CG2-CD1 4.43Å; V171-L295 HydrophobicContact CG2-CD2 3.83Å |
| 172 | Q | 87.6 | Confident | 85.5 | Confident | 60 Ų | 60 | 64 Ų | 64 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 138.6 | 175.7 | -161.2 | -166.5 | -55 | 0 | 0 | 111 | H159 E160 K162 L174 | H159-Q172 PolarHBondContact ND1-O 3.07Å; E160-Q172 PolarHBondContact O-N 2.86Å; K162-Q172 HydrophobicContact CD-CB 4.42Å; K162-Q172 HydrophobicContact CD-CG 4.35Å; Q172-L174 PolarHBondContact O-N 2.59Å; Q172-L174 VanDerWaalsContact O-N 3.11Å |
| 173 | D | 87.8 | Confident | 85.7 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 60% | 0.599 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 29.8 | 173.3 | -48.8 | -34.3 | 0 | 0 | 0 | 114.4 | H159 | H159-D173 PolarHBondContact CE1-O 3.39Å; H159-D173 PolarHBondContact ND1-O 3Å |
| 174 | L | 91.1 | Very high | 86 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | trans | -72.7 | 132.2 | 172.9 | -178.6 | 67.8 | 0 | 0 | 0 | 110.4 | L140 D149 V171 Q172 M176 | L140-L174 HydrophobicContact CB-CD1 4.17Å; L140-L174 HydrophobicContact CD2-CD1 4.48Å; L140-L174 HydrophobicContact CD2-CD2 4.14Å; D149-L174 HydrophobicContact CB-CD1 4.07Å; V171-L174 HydrophobicContact CB-CB 3.99Å; V171-L174 HydrophobicContact CB-CD2 4.16Å; V171-L174 HydrophobicContact CG1-CB 4Å; V171-L174 HydrophobicContact CG2-CD2 4.38Å; Q172-L174 PolarHBondContact O-N 2.59Å; Q172-L174 VanDerWaalsContact O-N 3.11Å; L174-M176 PolarHBondContact O-N 3.35Å | ||
| 175 | T | 91.8 | Very high | 86.8 | Confident | 46 Ų | 46 | 56 Ų | 56 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | trans | -70.3 | 122.5 | -177.5 | -47.6 | 0 | 0 | 0 | 0 | 111 | S138 D149 G152 H177 | S138-T175 VanDerWaalsContact CB-O 3.31Å; S138-T175 WeakPolarHBondContact CB-O 3.2Å; D149-T175 WeakPolarHBondContact OD2-CB 3.46Å; D149-T175 PolarHBondContact OD2-N 2.96Å; D149-T175 PolarHBondContact OD2-OG1 2.95Å; G152-T175 WeakPolarHBondContact CA-OG1 3.46Å; T175-H177 VanDerWaalsContact CG2-NE2 3.34Å; T175-H177 WeakPolarHBondContact CG2-NE2 3.5Å | ||
| 176 | M | 91 | Very high | 87.9 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | trans | -105.4 | 122 | 174.5 | -59.6 | -56.8 | -49.8 | 0 | 0 | 109.6 | R136 S138 L174 | R136-M176 HydrophobicContact CB-CE 3.95Å; S138-M176 VanDerWaalsContact CB-SD 3.56Å; L174-M176 PolarHBondContact O-N 3.35Å | ||
| 177 | H | 92.5 | Very high | 89.2 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119.5 | 176.5 | -70.9 | -95.9 | 0 | 0 | 0 | 110.9 | R136 A137 T175 I188 | R136-H177 CarbonylContact C-O 3.57Å; R136-H177 VanDerWaalsContact CA-O 3.29Å; R136-H177 WeakPolarHBondContact CA-O 3.47Å; A137-H177 PolarHBondContact N-O 2.86Å; A137-H177 PolarHBondContact O-N 3.49Å; T175-H177 VanDerWaalsContact CG2-NE2 3.34Å; T175-H177 WeakPolarHBondContact CG2-NE2 3.5Å; H177-I188 HydrophobicContact CB-CD1 3.83Å |
| 178 | T | 91.3 | Very high | 90.5 | Very high | 37 Ų | 37 | 50 Ų | 50 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 137.3 | 166 | -49.6 | 0 | 0 | 0 | 0 | 109.9 | L134 V135 E530 | L134-T178 HydrophobicContact CD1-CG2 3.63Å; V135-T178 WeakPolarHBondContact O-CA 3.38Å; T178-E530 HydrophobicContact CG2-CB 4.04Å; T178-E530 HydrophobicContact CG2-CG 4.16Å; T178-E530 PolarHBondContact OG1-OE2 3.43Å |
| 179 | V | 92.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | trans | -136.2 | 126.7 | -175.3 | -74.9 | 0 | 0 | 0 | 0 | 111.9 | F122 V135 A137 E184 I188 | F122-V179 HydrophobicContact CZ-CG2 4.35Å; V135-V179 HydrophobicContact CB-CG2 3.94Å; V135-V179 HydrophobicContact CG1-CG2 3.69Å; V135-V179 WeakPolarHBondContact O-CG2 3.21Å; V135-V179 PolarHBondContact O-N 2.96Å; A137-V179 HydrophobicContact CB-CG1 4.34Å; A137-V179 HydrophobicContact CB-CG2 4.33Å; V179-E184 HydrophobicContact CB-CB 4.4Å; V179-E184 HydrophobicContact CG1-CB 4.17Å; V179-I188 HydrophobicContact CG1-CD1 3.37Å | ||
| 180 | H | 88 | Confident | 91.2 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | trans | -108.3 | -8.6 | -171 | -41.9 | 82.9 | 0 | 0 | 0 | 112.7 | F122 E184 I532 | F122-H180 WeakPolarHBondContact CE1-O 3.41Å; H180-E184 IonicContact CE1-OE2 3.81Å; H180-E184 IonicContact CG-OE2 2.7Å; H180-E184 PolarHBondContact N-OE2 2.9Å; H180-E184 IonicContact ND1-OE2 3.83Å; H180-E184 PolarHBondContact ND1-OE2 3.46Å; H180-I532 HydrophobicContact CB-CG2 4.4Å | ||
| 181 | S | 90.1 | Very high | 91.4 | Very high | 50 Ų | 50 | 54.4 Ų | 54.4 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -153 | 163.5 | 175 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | G183 E184 C185 | S181-G183 PolarHBondContact O-N 2.86Å; S181-E184 PolarHBondContact O-N 3.43Å; S181-C185 PolarHBondContact O-N 3.01Å |
| 182 | V | 92.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50.9 | -43 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | F118 E119 F122 E184 C185 E186 | F118-V182 HydrophobicContact CB-CG1 3.98Å; E119-V182 HydrophobicContact CG-CG1 4.28Å; F122-V182 HydrophobicContact CB-CG2 3.69Å; F122-V182 HydrophobicContact CD2-CG2 3.82Å; F122-V182 HydrophobicContact CG-CG2 3.95Å; V182-E184 VanDerWaalsContact C-N 3.3Å; V182-E184 PolarHBondContact O-N 2.82Å; V182-C185 WeakPolarHBondContact O-CB 3.11Å; V182-C185 PolarHBondContact O-N 3.31Å; V182-C185 VanDerWaalsContact O-N 3.14Å; V182-E186 HydrophobicContact CG1-CG 4.39Å; V182-E186 PolarHBondContact O-N 3.35Å |
| 183 | G | 92.6 | Very high | 91.2 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -30 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S181 R187 | S181-G183 PolarHBondContact O-N 2.86Å; G183-R187 WeakPolarHBondContact O-CG 3.43Å; G183-R187 PolarHBondContact O-N 2.85Å |
| 184 | E | 93.1 | Very high | 91.1 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.4 | -40.2 | 172.7 | -57.9 | -155.8 | 113.5 | 0 | 0 | 111.5 | V179 H180 S181 V182 R187 I188 | V179-E184 HydrophobicContact CB-CB 4.4Å; V179-E184 HydrophobicContact CG1-CB 4.17Å; H180-E184 IonicContact CE1-OE2 3.81Å; H180-E184 IonicContact CG-OE2 2.7Å; H180-E184 PolarHBondContact N-OE2 2.9Å; H180-E184 IonicContact ND1-OE2 3.83Å; H180-E184 PolarHBondContact ND1-OE2 3.46Å; S181-E184 PolarHBondContact O-N 3.43Å; V182-E184 VanDerWaalsContact C-N 3.3Å; V182-E184 PolarHBondContact O-N 2.82Å; E184-R187 PolarHBondContact O-N 3.25Å; E184-R187 IonicContact OE1-NH2 2.64Å; E184-R187 PolarHBondContact OE1-NH2 3.29Å; E184-I188 WeakPolarHBondContact O-CB 3.22Å; E184-I188 WeakPolarHBondContact O-CD1 3.27Å; E184-I188 WeakPolarHBondContact O-CG1 3.33Å; E184-I188 PolarHBondContact O-N 3.33Å |
| 185 | C | 93.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -42 | 174.2 | -61 | 0 | 0 | 0 | 0 | 112 | F118 S181 V182 I188 M189 | F118-C185 HydrophobicContact CB-CB 4.3Å; F118-C185 HydrophobicContact CD1-CB 3.99Å; F118-C185 HydrophobicContact CD2-CB 3.5Å; F118-C185 HydrophobicContact CE1-CB 4.14Å; F118-C185 HydrophobicContact CE2-CB 3.66Å; F118-C185 HydrophobicContact CG-CB 3.68Å; F118-C185 HydrophobicContact CZ-CB 3.98Å; S181-C185 PolarHBondContact O-N 3.01Å; V182-C185 WeakPolarHBondContact O-CB 3.11Å; V182-C185 PolarHBondContact O-N 3.31Å; V182-C185 VanDerWaalsContact O-N 3.14Å; C185-I188 PolarHBondContact O-N 3.22Å; C185-M189 WeakPolarHBondContact O-CB 3.48Å; C185-M189 PolarHBondContact O-N 3.12Å |
| 186 | E | 92.4 | Very high | 90.4 | Very high | 78 Ų | 78 | 51.6 Ų | 51.6 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.7 | -73.7 | -174.1 | 147.5 | 0 | 0 | 111.5 | K111 F118 V182 I188 M189 E190 | K111-E186 IonicContact NZ-OE1 3.03Å; K111-E186 PolarHBondContact NZ-OE1 3.45Å; F118-E186 HydrophobicContact CD2-CG 4.1Å; V182-E186 HydrophobicContact CG1-CG 4.39Å; V182-E186 PolarHBondContact O-N 3.35Å; E186-I188 PolarHBondContact O-N 2.99Å; E186-M189 PolarHBondContact O-N 2.61Å; E186-E190 WeakPolarHBondContact O-CB 3.19Å; E186-E190 PolarHBondContact O-N 2.95Å |
| 187 | R | 93.4 | Very high | 89.3 | Confident | 156 Ų | 156 | 50.4 Ų | 50.4 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.1 | -45.8 | 172.3 | -72.7 | -172.1 | -46.4 | -165.9 | -0.3 | 112.6 | G183 E184 E190 Q191 | G183-R187 WeakPolarHBondContact O-CG 3.43Å; G183-R187 PolarHBondContact O-N 2.85Å; E184-R187 PolarHBondContact O-N 3.25Å; E184-R187 IonicContact OE1-NH2 2.64Å; E184-R187 PolarHBondContact OE1-NH2 3.29Å; R187-E190 PolarHBondContact O-N 3.41Å; R187-Q191 WeakPolarHBondContact O-CB 3.34Å; R187-Q191 PolarHBondContact O-N 3.45Å |
| 188 | I | 93.5 | Very high | 87.9 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | -177.6 | -74.8 | 165 | 0 | 0 | 0 | 110.7 | L151 H177 V179 E184 C185 E186 Q191 G192 F214 | L151-I188 HydrophobicContact CD1-CG2 3.55Å; L151-I188 HydrophobicContact CD2-CG2 3.68Å; L151-I188 WeakPolarHBondContact CD2-O 3.32Å; L151-I188 HydrophobicContact CG-CG2 4.27Å; H177-I188 HydrophobicContact CB-CD1 3.83Å; V179-I188 HydrophobicContact CG1-CD1 3.37Å; E184-I188 WeakPolarHBondContact O-CB 3.22Å; E184-I188 WeakPolarHBondContact O-CD1 3.27Å; E184-I188 WeakPolarHBondContact O-CG1 3.33Å; E184-I188 PolarHBondContact O-N 3.33Å; C185-I188 PolarHBondContact O-N 3.22Å; E186-I188 PolarHBondContact O-N 2.99Å; I188-Q191 PolarHBondContact O-N 3.44Å; I188-G192 PolarHBondContact O-N 2.67Å; I188-F214 HydrophobicContact CG2-CE2 4.15Å; I188-F214 HydrophobicContact CG2-CZ 4.34Å |
| 189 | M | 91.6 | Very high | 86.2 | Confident | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 172.8 | -178.9 | 61.8 | -175.8 | 0 | 0 | 111.7 | Q102 I114 F118 Y139 C185 E186 W193 F214 | Q102-M189 HydrophobicContact CB-CE 4.43Å; Q102-M189 HydrophobicContact CG-CE 4.2Å; I114-M189 HydrophobicContact CD1-CE 3.64Å; I114-M189 HydrophobicContact CD1-SD 4.46Å; I114-M189 HydrophobicContact CG2-CE 4.36Å; I114-M189 HydrophobicContact CG2-CG 4.41Å; I114-M189 HydrophobicContact CG2-SD 4.23Å; F118-M189 HydrophobicContact CE2-CB 4.09Å; F118-M189 HydrophobicContact CZ-CB 4.24Å; Y139-M189 HydrophobicContact CD1-SD 4.23Å; Y139-M189 HydrophobicContact CE1-CE 4.35Å; Y139-M189 HydrophobicContact CE1-SD 3.53Å; Y139-M189 VanDerWaalsContact CE1-SD 3.53Å; Y139-M189 WeakPolarHBondContact OH-CE 3.28Å; C185-M189 WeakPolarHBondContact O-CB 3.48Å; C185-M189 PolarHBondContact O-N 3.12Å; E186-M189 PolarHBondContact O-N 2.61Å; M189-W193 VanDerWaalsContact O-CB 3.24Å; M189-W193 WeakPolarHBondContact O-CB 3.48Å; M189-W193 PolarHBondContact O-N 2.72Å; M189-F214 HydrophobicContact CB-CE2 4Å; M189-F214 HydrophobicContact SD-CD2 3.62Å; M189-F214 HydrophobicContact SD-CE2 4.07Å; M189-F214 HydrophobicContact SD-CG 4.43Å |
| 190 | E | 90.3 | Very high | 84.5 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177.8 | -157.8 | -148 | 180 | 0 | 0 | 112.1 | E186 R187 W193 K194 | E186-E190 WeakPolarHBondContact O-CB 3.19Å; E186-E190 PolarHBondContact O-N 2.95Å; R187-E190 PolarHBondContact O-N 3.41Å; E190-W193 PolarHBondContact O-N 3.04Å; E190-K194 WeakPolarHBondContact O-CB 3.38Å; E190-K194 VanDerWaalsContact O-CG 3.29Å; E190-K194 WeakPolarHBondContact O-CG 3.5Å; E190-K194 PolarHBondContact O-N 2.97Å; E190-K194 WeakPolarHBondContact OE1-CE 3.45Å; E190-K194 IonicContact OE1-NZ 3.91Å; E190-K194 PolarHBondContact OE1-NZ 2.91Å; E190-K194 IonicContact OE2-NZ 3.63Å; E190-K194 PolarHBondContact OE2-NZ 3.45Å |
| 191 | Q | 91.3 | Very high | 82.5 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 175.9 | 179.8 | 54.9 | 51.9 | 0 | 0 | 111.7 | R187 I188 W193 K194 N195 | R187-Q191 WeakPolarHBondContact O-CB 3.34Å; R187-Q191 PolarHBondContact O-N 3.45Å; I188-Q191 PolarHBondContact O-N 3.44Å; Q191-W193 VanDerWaalsContact C-N 3.31Å; Q191-W193 PolarHBondContact O-N 3.03Å; Q191-K194 PolarHBondContact O-N 3.02Å; Q191-N195 PolarHBondContact NE2-ND2 2.73Å; Q191-N195 VanDerWaalsContact NE2-ND2 3.13Å; Q191-N195 PolarHBondContact NE2-OD1 2.98Å; Q191-N195 PolarHBondContact O-N 2.95Å |
| 192 | G | 90 | Very high | 80.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I188 N195 R196 | I188-G192 PolarHBondContact O-N 2.67Å; G192-N195 PolarHBondContact O-N 3.41Å; G192-R196 WeakPolarHBondContact O-CB 3.47Å; G192-R196 PolarHBondContact O-N 3.08Å |
| 193 | W | 85.1 | Confident | 77.7 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 173.4 | -176 | -97.8 | 0 | 0 | 0 | 112.4 | M189 E190 Q191 N195 R196 A197 | M189-W193 VanDerWaalsContact O-CB 3.24Å; M189-W193 WeakPolarHBondContact O-CB 3.48Å; M189-W193 PolarHBondContact O-N 2.72Å; E190-W193 PolarHBondContact O-N 3.04Å; Q191-W193 VanDerWaalsContact C-N 3.31Å; Q191-W193 PolarHBondContact O-N 3.03Å; W193-N195 VanDerWaalsContact C-N 3.33Å; W193-N195 PolarHBondContact O-N 3Å; W193-R196 PolarHBondContact O-N 3.24Å; W193-A197 WeakPolarHBondContact O-CB 3.3Å; W193-A197 PolarHBondContact O-N 2.88Å |
| 194 | K | 86 | Confident | 75.2 | Confident | 93 Ų | 93 | 61 Ų | 61 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 172.1 | -75.3 | 163 | 178.8 | 167 | 0 | 111.1 | E190 Q191 A197 V198 | E190-K194 WeakPolarHBondContact O-CB 3.38Å; E190-K194 VanDerWaalsContact O-CG 3.29Å; E190-K194 WeakPolarHBondContact O-CG 3.5Å; E190-K194 PolarHBondContact O-N 2.97Å; E190-K194 WeakPolarHBondContact OE1-CE 3.45Å; E190-K194 IonicContact OE1-NZ 3.91Å; E190-K194 PolarHBondContact OE1-NZ 2.91Å; E190-K194 IonicContact OE2-NZ 3.63Å; E190-K194 PolarHBondContact OE2-NZ 3.45Å; Q191-K194 PolarHBondContact O-N 3.02Å; K194-A197 PolarHBondContact O-N 3.2Å; K194-V198 WeakPolarHBondContact O-CG2 3.19Å; K194-V198 PolarHBondContact O-N 2.88Å |
| 195 | N | 85.8 | Confident | 72.9 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 178 | -76 | -17.9 | 0 | 0 | 0 | 112.4 | L150 T155 Q191 G192 W193 A197 V198 A199 | L150-N195 HydrophobicContact CD2-CB 4.43Å; L150-N195 PolarHBondContact O-ND2 3.2Å; T155-N195 HydrophobicContact CG2-CB 4.06Å; Q191-N195 PolarHBondContact NE2-ND2 2.73Å; Q191-N195 VanDerWaalsContact NE2-ND2 3.13Å; Q191-N195 PolarHBondContact NE2-OD1 2.98Å; Q191-N195 PolarHBondContact O-N 2.95Å; G192-N195 PolarHBondContact O-N 3.41Å; W193-N195 VanDerWaalsContact C-N 3.33Å; W193-N195 PolarHBondContact O-N 3Å; N195-A197 PolarHBondContact O-N 3.08Å; N195-V198 PolarHBondContact O-N 2.92Å; N195-A199 PolarHBondContact O-N 2.81Å; N195-A199 VanDerWaalsContact O-N 3.08Å |
| 196 | R | 83.3 | Confident | 71.1 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 172.6 | -172.8 | 174.6 | -177.4 | -152.3 | 1.6 | 111.9 | L150 G192 W193 A199 C200 S207 S210 S212 D240 | L150-R196 HydrophobicContact CD1-CB 4.38Å; L150-R196 HydrophobicContact CD2-CB 4.09Å; G192-R196 WeakPolarHBondContact O-CB 3.47Å; G192-R196 PolarHBondContact O-N 3.08Å; W193-R196 PolarHBondContact O-N 3.24Å; R196-A199 PolarHBondContact O-N 2.85Å; R196-C200 PolarHBondContact O-N 3.2Å; R196-C200 VanDerWaalsContact O-N 3.08Å; R196-C200 PolarHBondContact O-SG 3.46Å; R196-S207 PolarHBondContact NH2-O 2.87Å; R196-S207 VanDerWaalsContact NH2-O 3.11Å; R196-S210 PolarHBondContact NE-OG 3.47Å; R196-S210 PolarHBondContact NH2-O 2.9Å; R196-S212 PolarHBondContact NH1-OG 3.39Å; R196-D240 IonicContact NH1-OD2 3.65Å; R196-D240 PolarHBondContact NH1-OD2 3.3Å; R196-D240 IonicContact NH2-OD2 3.6Å |
| 197 | A | 67.4 | Low | 69.7 | Low | 46 Ų | 46 | 69.1 Ų | 69.1 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | W193 K194 N195 C200 T201 | W193-A197 WeakPolarHBondContact O-CB 3.3Å; W193-A197 PolarHBondContact O-N 2.88Å; K194-A197 PolarHBondContact O-N 3.2Å; N195-A197 PolarHBondContact O-N 3.08Å; A197-C200 WeakPolarHBondContact O-CB 3.49Å; A197-C200 PolarHBondContact O-N 3.32Å; A197-T201 PolarHBondContact O-N 3.42Å |
| 198 | V | 62 | Low | 68.5 | Low | 78 Ų | 78 | 62.5 Ų | 62.5 | 47% | 0.473 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | K194 N195 C200 T201 L202 | K194-V198 WeakPolarHBondContact O-CG2 3.19Å; K194-V198 PolarHBondContact O-N 2.88Å; N195-V198 PolarHBondContact O-N 2.92Å; V198-C200 VanDerWaalsContact C-N 3.3Å; V198-C200 PolarHBondContact O-N 3.17Å; V198-T201 PolarHBondContact O-N 2.8Å; V198-T201 PolarHBondContact O-OG1 3.4Å; V198-L202 HydrophobicContact CG1-CD1 4.18Å; V198-L202 PolarHBondContact O-N 2.79Å; V198-L202 VanDerWaalsContact O-N 3.14Å |
| 199 | A | 57.1 | Low | 67.6 | Low | 39 Ų | 39 | 64.3 Ų | 64.3 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N195 R196 L202 M203 | N195-A199 PolarHBondContact O-N 2.81Å; N195-A199 VanDerWaalsContact O-N 3.08Å; R196-A199 PolarHBondContact O-N 2.85Å; A199-L202 PolarHBondContact O-N 2.7Å; A199-M203 PolarHBondContact O-N 2.95Å |
| 200 | C | 55.9 | Low | 67.3 | Low | 21 Ų | 21 | 63.9 Ų | 63.9 | 14% | 0.142 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 173.9 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | R196 A197 V198 L202 M203 N204 | R196-C200 PolarHBondContact O-N 3.2Å; R196-C200 VanDerWaalsContact O-N 3.08Å; R196-C200 PolarHBondContact O-SG 3.46Å; A197-C200 WeakPolarHBondContact O-CB 3.49Å; A197-C200 PolarHBondContact O-N 3.32Å; V198-C200 VanDerWaalsContact C-N 3.3Å; V198-C200 PolarHBondContact O-N 3.17Å; C200-L202 VanDerWaalsContact C-N 3.26Å; C200-L202 PolarHBondContact O-N 3.02Å; C200-M203 PolarHBondContact O-N 3.2Å; C200-N204 CarbonylContact C-O 3.56Å; C200-N204 VanDerWaalsContact CA-O 3.25Å; C200-N204 WeakPolarHBondContact CA-O 3.44Å; C200-N204 WeakPolarHBondContact CB-O 3.4Å; C200-N204 CarbonylContact O-C 3.56Å; C200-N204 WeakPolarHBondContact O-CA 3.22Å; C200-N204 PolarHBondContact O-N 2.98Å |
| 201 | T | 46.6 | Very low | 67.3 | Low | 114 Ų | 114 | 59.2 Ų | 59.2 | 70% | 0.699 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.4 | -28.3 | -179 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | A197 V198 | A197-T201 PolarHBondContact O-N 3.42Å; V198-T201 PolarHBondContact O-N 2.8Å; V198-T201 PolarHBondContact O-OG1 3.4Å |
| 202 | L | 42.6 | Very low | 67.4 | Low | 123 Ų | 123 | 55.2 Ų | 55.2 | 64% | 0.644 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -81.7 | -24.9 | 178.3 | -89.5 | 161.5 | 0 | 0 | 0 | 114.5 | V198 A199 C200 | V198-L202 HydrophobicContact CG1-CD1 4.18Å; V198-L202 PolarHBondContact O-N 2.79Å; V198-L202 VanDerWaalsContact O-N 3.14Å; A199-L202 PolarHBondContact O-N 2.7Å; C200-L202 VanDerWaalsContact C-N 3.26Å; C200-L202 PolarHBondContact O-N 3.02Å |
| 203 | M | 38.8 | Very low | 67.7 | Low | 127 Ų | 127 | 55.5 Ų | 55.5 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -123.1 | -56 | -176.8 | -71 | -168 | 169.9 | 0 | 0 | 114.1 | Y143 A199 C200 | Y143-M203 HydrophobicContact CE1-SD 3.98Å; A199-M203 PolarHBondContact O-N 2.95Å; C200-M203 PolarHBondContact O-N 3.2Å |
| 204 | N | 40.6 | Very low | 68.2 | Low | 24 Ų | 24 | 52.1 Ų | 52.1 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | trans | -156.5 | 144.8 | 172.3 | -90.3 | -53.3 | 0 | 0 | 0 | 114.7 | C200 D206 R209 R256 E259 | C200-N204 CarbonylContact C-O 3.56Å; C200-N204 VanDerWaalsContact CA-O 3.25Å; C200-N204 WeakPolarHBondContact CA-O 3.44Å; C200-N204 WeakPolarHBondContact CB-O 3.4Å; C200-N204 CarbonylContact O-C 3.56Å; C200-N204 WeakPolarHBondContact O-CA 3.22Å; C200-N204 PolarHBondContact O-N 2.98Å; N204-D206 PolarHBondContact O-N 3.21Å; N204-R209 VanDerWaalsContact CB-NH1 3.3Å; N204-R209 PolarHBondContact ND2-NH1 3.03Å; N204-R256 VanDerWaalsContact ND2-CG 3.34Å; N204-R256 WeakPolarHBondContact ND2-CG 3.42Å; N204-R256 VanDerWaalsContact OD1-CZ 3.22Å; N204-R256 PolarHBondContact OD1-NE 2.88Å; N204-R256 PolarHBondContact OD1-NH2 3.49Å; N204-E259 PolarHBondContact ND2-OE2 2.93Å | ||
| 205 | K | 43.2 | Very low | 68.7 | Low | 199 Ų | 199 | 48.1 Ų | 48.1 | 87% | 0.865 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -70.8 | 20 | -155.4 | -146.1 | -171.1 | -177.5 | -175.9 | 0 | 117.9 | ||
| 206 | D | 56.3 | Low | 69.2 | Low | 62 Ų | 62 | 46.7 Ų | 46.7 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | trans | -152.2 | 134.3 | -176.4 | -170.3 | 3.2 | 0 | 0 | 0 | 114.5 | N204 S208 | N204-D206 PolarHBondContact O-N 3.21Å; D206-S208 PolarHBondContact O-N 2.78Å; D206-S208 PolarHBondContact OD1-N 2.83Å; D206-S208 VanDerWaalsContact OD1-N 3.1Å; D206-S208 VanDerWaalsContact OD2-CB 3.28Å; D206-S208 WeakPolarHBondContact OD2-CB 3.47Å; D206-S208 PolarHBondContact OD2-OG 2.86Å | ||
| 207 | S | 62.6 | Low | 69.7 | Low | 36 Ų | 36 | 49 Ų | 49 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -51.7 | -23.8 | 168.9 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | R196 R209 | R196-S207 PolarHBondContact NH2-O 2.87Å; R196-S207 VanDerWaalsContact NH2-O 3.11Å; S207-R209 PolarHBondContact O-N 2.82Å |
| 208 | S | 67.7 | Low | 70.9 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -60.3 | -1.8 | -179 | 58.6 | 0 | 0 | 0 | 0 | 116.1 | T93 D206 A242 G243 | T93-S208 WeakPolarHBondContact OG1-CB 3.29Å; D206-S208 PolarHBondContact O-N 2.78Å; D206-S208 PolarHBondContact OD1-N 2.83Å; D206-S208 VanDerWaalsContact OD1-N 3.1Å; D206-S208 VanDerWaalsContact OD2-CB 3.28Å; D206-S208 WeakPolarHBondContact OD2-CB 3.47Å; D206-S208 PolarHBondContact OD2-OG 2.86Å; S208-A242 CarbonylContact O-C 3.33Å; S208-A242 VanDerWaalsContact O-CA 3.25Å; S208-A242 WeakPolarHBondContact O-CA 3.37Å; S208-A242 VanDerWaalsContact O-CB 3.27Å; S208-A242 WeakPolarHBondContact O-CB 3.33Å; S208-G243 PolarHBondContact O-N 2.92Å |
| 209 | R | 74.9 | Confident | 72.2 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 23% | 0.226 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -113.8 | -6.4 | -165.5 | -60.5 | -160.1 | -177.9 | -167.7 | -3.7 | 115.7 | Y143 N204 S207 E259 I263 | Y143-R209 WeakPolarHBondContact CD2-O 3.26Å; N204-R209 VanDerWaalsContact CB-NH1 3.3Å; N204-R209 PolarHBondContact ND2-NH1 3.03Å; S207-R209 PolarHBondContact O-N 2.82Å; R209-E259 WeakPolarHBondContact CD-OE1 3.17Å; R209-E259 IonicContact CZ-OE1 3.75Å; R209-E259 IonicContact NE-OE1 3.64Å; R209-E259 IonicContact NH1-OE1 3.65Å; R209-E259 PolarHBondContact NH1-OE1 3.23Å; R209-E259 IonicContact NH1-OE2 2.97Å; R209-E259 PolarHBondContact NH1-OE2 3.34Å; R209-I263 HydrophobicContact CB-CD1 3.66Å; R209-I263 HydrophobicContact CG-CD1 3.98Å; R209-I263 WeakPolarHBondContact O-CD1 3.34Å; R209-I263 WeakPolarHBondContact O-CG1 3.25Å |
| 210 | S | 85.3 | Confident | 73.8 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -121.6 | 146.8 | 167.6 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | E141 I142 R196 | E141-S210 WeakPolarHBondContact OE2-CB 3.41Å; E141-S210 PolarHBondContact OE2-OG 3.35Å; I142-S210 WeakPolarHBondContact O-CA 3.49Å; R196-S210 PolarHBondContact NE-OG 3.47Å; R196-S210 PolarHBondContact NH2-O 2.9Å |
| 211 | H | 91.1 | Very high | 75.3 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.2 | 167.1 | -46.5 | -76.9 | 0 | 0 | 0 | 107.4 | E141 I142 L241 A242 S266 L292 | E141-H211 CarbonylContact C-O 3.54Å; E141-H211 VanDerWaalsContact CA-O 3.26Å; E141-H211 WeakPolarHBondContact CA-O 3.32Å; I142-H211 HydrophobicContact CB-CB 4.34Å; I142-H211 PolarHBondContact N-O 2.99Å; I142-H211 PolarHBondContact O-N 2.92Å; H211-L241 HydrophobicContact CB-CD2 4.15Å; H211-A242 VanDerWaalsContact CE1-CB 3.41Å; H211-A242 WeakPolarHBondContact CE1-CB 3.38Å; H211-A242 PolarHBondContact ND1-N 3.36Å; H211-S266 WeakPolarHBondContact NE2-CB 3.41Å; H211-S266 PolarHBondContact NE2-OG 2.9Å; H211-L292 HydrophobicContact CB-CD1 4.22Å |
| 212 | S | 92.9 | Very high | 77.2 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.9 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 111.6 | L140 R196 V239 D240 | L140-S212 WeakPolarHBondContact O-CA 3.27Å; R196-S212 PolarHBondContact NH1-OG 3.39Å; S212-V239 WeakPolarHBondContact O-CA 3.46Å; S212-D240 PolarHBondContact N-O 3.33Å; S212-D240 PolarHBondContact O-N 2.9Å |
| 213 | I | 95.9 | Very high | 79 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 107.6 | -179.4 | -53.9 | -176.9 | 0 | 0 | 0 | 108.2 | L140 I142 N237 V239 L292 L295 L296 | L140-I213 HydrophobicContact CD1-CB 3.84Å; L140-I213 HydrophobicContact CD1-CD1 4.22Å; L140-I213 HydrophobicContact CD1-CG1 4.03Å; L140-I213 HydrophobicContact CG-CB 4.1Å; L140-I213 PolarHBondContact N-O 2.67Å; L140-I213 PolarHBondContact O-N 3.05Å; I142-I213 HydrophobicContact CD1-CD1 4.26Å; I213-N237 HydrophobicContact CG2-CB 4.42Å; I213-V239 HydrophobicContact CG1-CG1 4.15Å; I213-V239 HydrophobicContact CG1-CG2 4.15Å; I213-V239 HydrophobicContact CG2-CG2 4.19Å; I213-L292 HydrophobicContact CD1-CD1 4.5Å; I213-L295 HydrophobicContact CD1-CB 4.38Å; I213-L295 HydrophobicContact CD1-CD1 4.37Å; I213-L296 HydrophobicContact CD1-CD2 4.43Å |
| 214 | F | 96.6 | Very high | 81 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.6 | 167.1 | -167.1 | -74.3 | 0 | 0 | 0 | 107.9 | F118 A137 Y139 I188 M189 I216 L238 | F118-F214 HydrophobicContact CE1-CD1 4.12Å; F118-F214 AromaticContact CE1-CE1 3.54Å; F118-F214 HydrophobicContact CE1-CE1 3.54Å; F118-F214 AromaticContact CE1-CZ 3.9Å; F118-F214 HydrophobicContact CE1-CZ 3.9Å; F118-F214 HydrophobicContact CZ-CD1 4.3Å; F118-F214 AromaticContact CZ-CE1 3.7Å; F118-F214 HydrophobicContact CZ-CE1 3.7Å; F118-F214 HydrophobicContact CZ-CE2 4.1Å; F118-F214 AromaticContact CZ-CZ 3.59Å; F118-F214 HydrophobicContact CZ-CZ 3.59Å; A137-F214 HydrophobicContact CB-CE1 4.05Å; A137-F214 HydrophobicContact CB-CZ 3.9Å; Y139-F214 AromaticContact CD1-CD2 3.71Å; Y139-F214 HydrophobicContact CD1-CD2 3.71Å; Y139-F214 HydrophobicContact CD1-CE2 4.21Å; Y139-F214 HydrophobicContact CD2-CB 3.77Å; Y139-F214 AromaticContact CD2-CD2 3.86Å; Y139-F214 HydrophobicContact CD2-CD2 3.86Å; Y139-F214 HydrophobicContact CD2-CG 4.27Å; Y139-F214 HydrophobicContact CE1-CD2 4.21Å; Y139-F214 HydrophobicContact CE2-CB 4.04Å; Y139-F214 HydrophobicContact CE2-CD2 4.32Å; Y139-F214 HydrophobicContact CG-CB 4.32Å; Y139-F214 AromaticContact CG-CD2 3.53Å; Y139-F214 HydrophobicContact CG-CD2 3.53Å; Y139-F214 HydrophobicContact CG-CE2 4.28Å; Y139-F214 HydrophobicContact CG-CG 4.31Å; I188-F214 HydrophobicContact CG2-CE2 4.15Å; I188-F214 HydrophobicContact CG2-CZ 4.34Å; M189-F214 HydrophobicContact CB-CE2 4Å; M189-F214 HydrophobicContact SD-CD2 3.62Å; M189-F214 HydrophobicContact SD-CE2 4.07Å; M189-F214 HydrophobicContact SD-CG 4.43Å; F214-I216 HydrophobicContact CD1-CG1 4.16Å; F214-I216 HydrophobicContact CE1-CD1 4.49Å; F214-I216 HydrophobicContact CE1-CG1 3.85Å; F214-L238 HydrophobicContact CB-CB 4.33Å; F214-L238 PolarHBondContact N-O 2.97Å; F214-L238 PolarHBondContact O-N 3.27Å |
| 215 | T | 96.4 | Very high | 82.6 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130 | -177 | -44.2 | 0 | 0 | 0 | 0 | 110.3 | A137 S138 H217 K235 L236 N237 | A137-T215 WeakPolarHBondContact CA-O 2.85Å; S138-T215 PolarHBondContact N-O 3.21Å; S138-T215 PolarHBondContact O-N 3.37Å; T215-H217 WeakPolarHBondContact CG2-NE2 3.49Å; T215-K235 HydrophobicContact CG2-CG 3.96Å; T215-L236 WeakPolarHBondContact CA-O 3.41Å; T215-N237 WeakPolarHBondContact CG2-OD1 3.42Å |
| 216 | I | 96.2 | Very high | 84 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.3 | 168.9 | -52.3 | 174.4 | 0 | 0 | 0 | 108 | F118 I121 V135 F214 L218 K235 L236 L238 | F118-I216 HydrophobicContact CD1-CD1 3.83Å; F118-I216 HydrophobicContact CE1-CD1 3.89Å; I121-I216 HydrophobicContact CD1-CD1 3.62Å; I121-I216 HydrophobicContact CD1-CG2 4.5Å; V135-I216 HydrophobicContact CG1-CG2 3.64Å; F214-I216 HydrophobicContact CD1-CG1 4.16Å; F214-I216 HydrophobicContact CE1-CD1 4.49Å; F214-I216 HydrophobicContact CE1-CG1 3.85Å; I216-L218 HydrophobicContact CG2-CD1 4.34Å; I216-L218 HydrophobicContact CG2-CG 4.23Å; I216-K235 CarbonylContact O-C 3.56Å; I216-K235 WeakPolarHBondContact O-CA 3.19Å; I216-L236 HydrophobicContact CB-CB 4.38Å; I216-L236 HydrophobicContact CD1-CD2 4.38Å; I216-L236 PolarHBondContact N-O 3.38Å; I216-L236 PolarHBondContact O-N 3.07Å; I216-L238 HydrophobicContact CD1-CD1 4.44Å |
| 217 | H | 93.8 | Very high | 84.8 | Confident | 52 Ų | 52 | 34.8 Ų | 34.8 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.6 | 168.6 | -66.1 | -112 | 0 | 0 | 0 | 108.5 | V135 R136 T215 | V135-H217 WeakPolarHBondContact CA-O 3.46Å; R136-H217 HydrophobicContact CB-CB 4.48Å; R136-H217 PolarHBondContact N-O 3.03Å; R136-H217 PolarHBondContact O-N 2.92Å; T215-H217 WeakPolarHBondContact CG2-NE2 3.49Å |
| 218 | L | 92.6 | Very high | 85.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 102.1 | -179.5 | -83.1 | 151.4 | 0 | 0 | 0 | 107.8 | V79 I121 I125 F133 V135 I216 I220 A233 G234 | V79-L218 HydrophobicContact CB-CD1 4.46Å; V79-L218 HydrophobicContact CG1-CD1 3.71Å; I121-L218 HydrophobicContact CD1-CD1 4.24Å; I121-L218 HydrophobicContact CG1-CD1 4.49Å; I121-L218 HydrophobicContact CG2-CD1 4.17Å; I121-L218 HydrophobicContact CG2-CD2 3.95Å; I125-L218 HydrophobicContact CD1-CD2 4.01Å; F133-L218 HydrophobicContact CD1-CD2 4.25Å; V135-L218 HydrophobicContact CG1-CD2 4.3Å; V135-L218 HydrophobicContact CG2-CD2 3.85Å; I216-L218 HydrophobicContact CG2-CD1 4.34Å; I216-L218 HydrophobicContact CG2-CG 4.23Å; L218-I220 HydrophobicContact CB-CG1 4.41Å; L218-A233 CarbonylContact O-C 3.54Å; L218-A233 WeakPolarHBondContact O-CA 3.35Å; L218-G234 PolarHBondContact N-O 2.94Å; L218-G234 PolarHBondContact O-N 2.92Å |
| 219 | E | 90.1 | Very high | 86 | Confident | 78 Ų | 78 | 41 Ų | 41 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.7 | 166.5 | -74.2 | 169.5 | -169.5 | 0 | 0 | 107.7 | F133 L134 R136 | F133-E219 CarbonylContact C-O 3.57Å; F133-E219 VanDerWaalsContact CA-O 3.32Å; F133-E219 WeakPolarHBondContact CA-O 3.4Å; L134-E219 HydrophobicContact CB-CB 4.24Å; L134-E219 PolarHBondContact N-O 3.37Å; L134-E219 PolarHBondContact O-N 3.02Å; R136-E219 IonicContact CZ-OE1 2.76Å; R136-E219 IonicContact CZ-OE2 3.54Å; R136-E219 VanDerWaalsContact NH1-CD 3.3Å; R136-E219 IonicContact NH1-OE1 3.77Å; R136-E219 PolarHBondContact NH1-OE1 2.78Å; R136-E219 IonicContact NH1-OE2 3.34Å; R136-E219 PolarHBondContact NH1-OE2 3.44Å; R136-E219 VanDerWaalsContact NH1-OE2 3.08Å; R136-E219 IonicContact NH2-OE1 2.87Å; R136-E219 PolarHBondContact NH2-OE1 2.87Å |
| 220 | I | 90.3 | Very high | 86.4 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 119.7 | -168.4 | -50.3 | 162.6 | 0 | 0 | 0 | 107.4 | T80 T131 F133 L218 I231 R232 | T80-I220 WeakPolarHBondContact O-CD1 3.49Å; T131-I220 HydrophobicContact CG2-CG2 3.5Å; F133-I220 HydrophobicContact CD1-CB 4.35Å; F133-I220 HydrophobicContact CD1-CG1 3.84Å; F133-I220 HydrophobicContact CD1-CG2 4.09Å; F133-I220 HydrophobicContact CE1-CB 4.38Å; F133-I220 HydrophobicContact CE1-CD1 4.44Å; F133-I220 HydrophobicContact CE1-CG1 3.92Å; F133-I220 HydrophobicContact CE1-CG2 3.75Å; F133-I220 HydrophobicContact CZ-CG2 4.22Å; L218-I220 HydrophobicContact CB-CG1 4.41Å; I220-I231 CarbonylContact O-C 3.45Å; I220-I231 WeakPolarHBondContact O-CA 3.43Å; I220-R232 HydrophobicContact CB-CB 4.24Å; I220-R232 HydrophobicContact CD1-CB 4.42Å; I220-R232 PolarHBondContact N-O 2.83Å; I220-R232 PolarHBondContact O-N 3.39Å |
| 221 | C | 86.4 | Confident | 86.5 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.8 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 109 | T131 K132 D229 H230 | T131-C221 CarbonylContact C-O 3.53Å; T131-C221 WeakPolarHBondContact CA-O 3.28Å; K132-C221 HydrophobicContact CB-CB 4.23Å; K132-C221 PolarHBondContact N-O 2.84Å; K132-C221 PolarHBondContact O-N 3.4Å; C221-D229 VanDerWaalsContact SG-CB 3.6Å; C221-H230 WeakPolarHBondContact CA-O 3.24Å |
| 222 | N | 85.9 | Confident | 86.4 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116.9 | -179.3 | -177.5 | -6.7 | 0 | 0 | 0 | 109.3 | T131 H230 | T131-N222 HydrophobicContact CG2-CB 4.19Å; N222-H230 PolarHBondContact N-O 3.2Å; N222-H230 PolarHBondContact O-N 2.86Å |
| 223 | T | 81.5 | Confident | 86.3 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119 | 179.5 | -49.3 | 0 | 0 | 0 | 0 | 109.8 | N130 D229 | N130-T223 PolarHBondContact O-N 3.45Å; T223-D229 WeakPolarHBondContact CB-OD1 3.36Å; T223-D229 WeakPolarHBondContact CG2-OD1 3.47Å; T223-D229 PolarHBondContact OG1-OD1 3.39Å |
| 224 | D | 80.3 | Confident | 86.2 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 33% | 0.326 | 30% | 0.301 | S | S | . | . | trans | -75.3 | 175.6 | -178.3 | 100.2 | -36.6 | 0 | 0 | 0 | 113.3 | A226 G227 Q228 | D224-A226 PolarHBondContact O-N 3.29Å; D224-A226 VanDerWaalsContact OD1-CA 3.3Å; D224-A226 WeakPolarHBondContact OD1-CA 3.31Å; D224-A226 WeakPolarHBondContact OD1-CB 3.49Å; D224-A226 PolarHBondContact OD1-N 3.49Å; D224-G227 PolarHBondContact O-N 2.7Å; D224-G227 PolarHBondContact OD1-N 2.96Å; D224-Q228 PolarHBondContact N-O 3.23Å; D224-Q228 PolarHBondContact OD1-N 3.21Å | ||
| 225 | A | 74.8 | Confident | 86.1 | Confident | 117 Ų | 117 | 51.8 Ų | 51.8 | 97% | 0.967 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -8.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 226 | A | 71.5 | Confident | 86.1 | Confident | 89 Ų | 89 | 51.4 Ų | 51.4 | 74% | 0.736 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -4.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D224 | D224-A226 PolarHBondContact O-N 3.29Å; D224-A226 VanDerWaalsContact OD1-CA 3.3Å; D224-A226 WeakPolarHBondContact OD1-CA 3.31Å; D224-A226 WeakPolarHBondContact OD1-CB 3.49Å; D224-A226 PolarHBondContact OD1-N 3.49Å |
| 227 | G | 73.4 | Confident | 86.2 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 58% | 0.577 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 83.7 | 17.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D224 | D224-G227 PolarHBondContact O-N 2.7Å; D224-G227 PolarHBondContact OD1-N 2.96Å |
| 228 | Q | 77.5 | Confident | 86.4 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | trans | -89.5 | 128.1 | 171.9 | -175.8 | 173.4 | -36 | 0 | 0 | 110.4 | D224 | D224-Q228 PolarHBondContact N-O 3.23Å; D224-Q228 PolarHBondContact OD1-N 3.21Å | ||
| 229 | D | 78.9 | Confident | 86.6 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 43% | 0.428 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126.9 | 175.1 | -79.5 | -17.4 | 0 | 0 | 0 | 111.3 | C221 T223 | C221-D229 VanDerWaalsContact SG-CB 3.6Å; T223-D229 WeakPolarHBondContact CB-OD1 3.36Å; T223-D229 WeakPolarHBondContact CG2-OD1 3.47Å; T223-D229 PolarHBondContact OG1-OD1 3.39Å |
| 230 | H | 83.5 | Confident | 86.8 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.6 | 174.8 | -69.5 | -59 | 0 | 0 | 0 | 110.9 | C221 N222 D347 | C221-H230 WeakPolarHBondContact CA-O 3.24Å; N222-H230 PolarHBondContact N-O 3.2Å; N222-H230 PolarHBondContact O-N 2.86Å; H230-D347 WeakPolarHBondContact CA-OD2 3.36Å; H230-D347 IonicContact CE1-OD1 3.59Å; H230-D347 PolarHBondContact CE1-OD1 2.81Å; H230-D347 IonicContact CE1-OD2 3.4Å; H230-D347 IonicContact CG-OD2 3.01Å; H230-D347 IonicContact ND1-OD1 2.84Å; H230-D347 PolarHBondContact ND1-OD1 3.19Å; H230-D347 IonicContact ND1-OD2 2.65Å; H230-D347 PolarHBondContact ND1-OD2 3.5Å |
| 231 | I | 85.9 | Confident | 86.9 | Confident | 97 Ų | 97 | 45.4 Ų | 45.4 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.4 | -175 | -57.8 | 177.2 | 0 | 0 | 0 | 110.9 | I220 E343 D344 | I220-I231 CarbonylContact O-C 3.45Å; I220-I231 WeakPolarHBondContact O-CA 3.43Å; I231-E343 VanDerWaalsContact O-CA 3.29Å; I231-E343 WeakPolarHBondContact O-CA 3.14Å; I231-D344 PolarHBondContact O-N 3.37Å |
| 232 | R | 90.8 | Very high | 87 | Confident | 66 Ų | 66 | 44.2 Ų | 44.2 | 25% | 0.249 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.5 | 173 | -53.5 | -178.4 | -174.8 | 177.1 | 6.5 | 111.5 | E81 I220 I341 N342 E343 | E81-R232 WeakPolarHBondContact O-CD 3.27Å; E81-R232 PolarHBondContact O-NH1 3.43Å; I220-R232 HydrophobicContact CB-CB 4.24Å; I220-R232 HydrophobicContact CD1-CB 4.42Å; I220-R232 PolarHBondContact N-O 2.83Å; I220-R232 PolarHBondContact O-N 3.39Å; R232-I341 HydrophobicContact CG-CG2 4.27Å; R232-N342 CarbonylContact C-O 3.18Å; R232-N342 WeakPolarHBondContact CA-O 3.33Å; R232-N342 WeakPolarHBondContact CB-O 3.49Å; R232-E343 HydrophobicContact CG-CB 4.09Å |
| 233 | A | 90.3 | Very high | 87 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 118.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | G82 L218 N342 | G82-A233 VanDerWaalsContact O-O 3.13Å; L218-A233 CarbonylContact O-C 3.54Å; L218-A233 WeakPolarHBondContact O-CA 3.35Å; A233-N342 HydrophobicContact CB-CB 4.44Å; A233-N342 PolarHBondContact N-O 3.13Å; A233-N342 WeakPolarHBondContact O-CB 3.39Å; A233-N342 PolarHBondContact O-ND2 2.99Å |
| 234 | G | 92.9 | Very high | 87.2 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 144.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L218 | L218-G234 PolarHBondContact N-O 2.94Å; L218-G234 PolarHBondContact O-N 2.92Å |
| 235 | K | 94.6 | Very high | 86.9 | Confident | 51 Ų | 51 | 39 Ų | 39 | 22% | 0.222 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 116 | 173 | -179.6 | -175.8 | 176 | -175.9 | 0 | 109.1 | N84 G85 T215 I216 N237 | N84-K235 CarbonylContact C-O 3.55Å; N84-K235 WeakPolarHBondContact CA-O 3.49Å; N84-K235 WeakPolarHBondContact OD1-CB 3.44Å; G85-K235 PolarHBondContact N-O 3.03Å; T215-K235 HydrophobicContact CG2-CG 3.96Å; I216-K235 CarbonylContact O-C 3.56Å; I216-K235 WeakPolarHBondContact O-CA 3.19Å; K235-N237 VanDerWaalsContact CE-OD1 3.29Å; K235-N237 WeakPolarHBondContact CE-OD1 3.36Å |
| 236 | L | 97.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 111 | 175.1 | 178.9 | 58.9 | 0 | 0 | 0 | 110.2 | L75 I76 V79 G85 A117 I121 T215 I216 L238 | L75-L236 HydrophobicContact CD2-CD1 3.82Å; I76-L236 HydrophobicContact CG1-CD2 3.88Å; V79-L236 HydrophobicContact CG1-CB 4.08Å; V79-L236 HydrophobicContact CG2-CB 4.13Å; V79-L236 HydrophobicContact CG2-CD1 4.22Å; G85-L236 WeakPolarHBondContact O-CA 3.48Å; A117-L236 HydrophobicContact CB-CD2 4.16Å; I121-L236 HydrophobicContact CD1-CD2 3.96Å; T215-L236 WeakPolarHBondContact CA-O 3.41Å; I216-L236 HydrophobicContact CB-CB 4.38Å; I216-L236 HydrophobicContact CD1-CD2 4.38Å; I216-L236 PolarHBondContact N-O 3.38Å; I216-L236 PolarHBondContact O-N 3.07Å; L236-L238 HydrophobicContact CD1-CD2 4.19Å; L236-L238 HydrophobicContact CD2-CD1 4.17Å; L236-L238 HydrophobicContact CD2-CD2 4.15Å; L236-L238 HydrophobicContact CD2-CG 4.21Å; L236-L238 HydrophobicContact CG-CD1 4.41Å; L236-L238 HydrophobicContact CG-CD2 4.11Å; L236-L238 HydrophobicContact CG-CG 4Å |
| 237 | N | 97.5 | Very high | 85.9 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.7 | 168.2 | -50.8 | -42.6 | 0 | 0 | 0 | 109.8 | G85 T86 V87 I213 T215 K235 V239 | G85-N237 PolarHBondContact O-N 3.05Å; T86-N237 WeakPolarHBondContact CA-O 3.44Å; T86-N237 HydrophobicContact CG2-CB 4.07Å; T86-N237 WeakPolarHBondContact OG1-CB 3.32Å; T86-N237 PolarHBondContact OG1-ND2 3.34Å; V87-N237 PolarHBondContact N-O 3.1Å; I213-N237 HydrophobicContact CG2-CB 4.42Å; T215-N237 WeakPolarHBondContact CG2-OD1 3.42Å; K235-N237 VanDerWaalsContact CE-OD1 3.29Å; K235-N237 WeakPolarHBondContact CE-OD1 3.36Å; N237-V239 HydrophobicContact CB-CG2 4.26Å |
| 238 | L | 97.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 107.7 | 175.2 | -64.6 | 167 | 0 | 0 | 0 | 108.3 | V87 M101 V113 I114 A117 F214 I216 L236 | V87-L238 HydrophobicContact CB-CD2 4.16Å; V87-L238 HydrophobicContact CG2-CD2 4.32Å; M101-L238 HydrophobicContact CE-CB 4.1Å; M101-L238 HydrophobicContact CE-CD2 4.33Å; V113-L238 HydrophobicContact CG1-CD2 4.4Å; I114-L238 HydrophobicContact CB-CD1 4.44Å; I114-L238 HydrophobicContact CD1-CB 4.44Å; I114-L238 HydrophobicContact CG1-CB 4.04Å; I114-L238 HydrophobicContact CG1-CD1 4.08Å; I114-L238 HydrophobicContact CG1-CG 4.47Å; I114-L238 HydrophobicContact CG2-CD1 4.31Å; A117-L238 HydrophobicContact CB-CD1 4.22Å; F214-L238 HydrophobicContact CB-CB 4.33Å; F214-L238 PolarHBondContact N-O 2.97Å; F214-L238 PolarHBondContact O-N 3.27Å; I216-L238 HydrophobicContact CD1-CD1 4.44Å; L236-L238 HydrophobicContact CD1-CD2 4.19Å; L236-L238 HydrophobicContact CD2-CD1 4.17Å; L236-L238 HydrophobicContact CD2-CD2 4.15Å; L236-L238 HydrophobicContact CD2-CG 4.21Å; L236-L238 HydrophobicContact CG-CD1 4.41Å; L236-L238 HydrophobicContact CG-CD2 4.11Å; L236-L238 HydrophobicContact CG-CG 4Å |
| 239 | V | 96.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.7 | -165.1 | -173.9 | 0 | 0 | 0 | 0 | 112 | T86 V87 F88 A89 S212 I213 N237 L241 L296 | T86-V239 HydrophobicContact CG2-CG2 4.44Å; V87-V239 PolarHBondContact O-N 2.79Å; F88-V239 WeakPolarHBondContact CA-O 3.43Å; F88-V239 HydrophobicContact CB-CB 3.68Å; F88-V239 HydrophobicContact CB-CG1 4.17Å; F88-V239 HydrophobicContact CB-CG2 4.3Å; A89-V239 PolarHBondContact N-O 3.38Å; S212-V239 WeakPolarHBondContact O-CA 3.46Å; I213-V239 HydrophobicContact CG1-CG1 4.15Å; I213-V239 HydrophobicContact CG1-CG2 4.15Å; I213-V239 HydrophobicContact CG2-CG2 4.19Å; N237-V239 HydrophobicContact CB-CG2 4.26Å; V239-L241 HydrophobicContact CG1-CD2 3.48Å; V239-L241 VanDerWaalsContact CG1-CD2 3.48Å; V239-L241 HydrophobicContact CG1-CG 3.93Å; V239-L296 HydrophobicContact CG2-CD2 4.11Å |
| 240 | D | 94.8 | Very high | 83.5 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 103.8 | 169 | -175.8 | 45.3 | 0 | 0 | 0 | 108.3 | K97 S98 M101 R196 S212 | K97-D240 VanDerWaalsContact CB-OD1 3.29Å; K97-D240 WeakPolarHBondContact CB-OD1 3.43Å; S98-D240 WeakPolarHBondContact CA-OD1 3.47Å; S98-D240 WeakPolarHBondContact CB-OD2 3.36Å; S98-D240 PolarHBondContact N-OD1 3.03Å; S98-D240 VanDerWaalsContact N-OD1 3.11Å; S98-D240 PolarHBondContact OG-OD1 3.34Å; S98-D240 PolarHBondContact OG-OD2 2.96Å; M101-D240 HydrophobicContact CB-CB 4.34Å; M101-D240 HydrophobicContact CG-CB 4.14Å; R196-D240 IonicContact NH1-OD2 3.65Å; R196-D240 PolarHBondContact NH1-OD2 3.3Å; R196-D240 IonicContact NH2-OD2 3.6Å; S212-D240 PolarHBondContact N-O 3.33Å; S212-D240 PolarHBondContact O-N 2.9Å |
| 241 | L | 92.7 | Very high | 82.4 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | trans | -78 | 166.9 | -175.7 | -62.4 | 176.2 | 0 | 0 | 0 | 112.2 | F88 A89 Y90 K97 H211 V239 L267 L270 L292 | F88-L241 HydrophobicContact CD2-CD1 3.85Å; F88-L241 HydrophobicContact CE2-CD1 4.47Å; A89-L241 WeakPolarHBondContact O-CB 3.5Å; A89-L241 WeakPolarHBondContact O-CG 3.47Å; A89-L241 PolarHBondContact O-N 3.02Å; Y90-L241 HydrophobicContact CD2-CD1 3.86Å; K97-L241 WeakPolarHBondContact CE-O 3.36Å; H211-L241 HydrophobicContact CB-CD2 4.15Å; V239-L241 HydrophobicContact CG1-CD2 3.48Å; V239-L241 VanDerWaalsContact CG1-CD2 3.48Å; V239-L241 HydrophobicContact CG1-CG 3.93Å; L241-L267 HydrophobicContact CB-CD2 4.48Å; L241-L267 HydrophobicContact CD1-CD2 4.31Å; L241-L270 HydrophobicContact CD1-CD2 4.03Å; L241-L292 HydrophobicContact CD2-CD1 3.9Å; L241-L292 HydrophobicContact CD2-CD2 4Å | ||
| 242 | A | 88.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -68.3 | 174.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K97 S208 H211 I263 L267 | K97-A242 WeakPolarHBondContact CE-O 3.36Å; K97-A242 PolarHBondContact NZ-O 2.78Å; K97-A242 VanDerWaalsContact NZ-O 3.11Å; S208-A242 CarbonylContact O-C 3.33Å; S208-A242 VanDerWaalsContact O-CA 3.25Å; S208-A242 WeakPolarHBondContact O-CA 3.37Å; S208-A242 VanDerWaalsContact O-CB 3.27Å; S208-A242 WeakPolarHBondContact O-CB 3.33Å; H211-A242 VanDerWaalsContact CE1-CB 3.41Å; H211-A242 WeakPolarHBondContact CE1-CB 3.38Å; H211-A242 PolarHBondContact ND1-N 3.36Å; A242-I263 HydrophobicContact CB-CG2 3.6Å; A242-L267 HydrophobicContact CB-CD1 4.49Å | ||
| 243 | G | 86 | Confident | 79.7 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -62.3 | 131.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T93 S208 E245 L267 | T93-G243 VanDerWaalsContact OG1-CA 3.32Å; T93-G243 WeakPolarHBondContact OG1-CA 3.32Å; S208-G243 PolarHBondContact O-N 2.92Å; G243-E245 VanDerWaalsContact C-N 3.34Å; G243-E245 VanDerWaalsContact C-OE2 3.29Å; G243-E245 VanDerWaalsContact CA-OE2 3.22Å; G243-E245 WeakPolarHBondContact CA-OE2 3.32Å; G243-L267 WeakPolarHBondContact O-CD1 3.29Å | ||
| 244 | S | 84.6 | Confident | 78.9 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.119 | 22% | 0.223 | C | C | . | . | trans | -87 | 4 | 177.7 | 68.6 | 0 | 0 | 0 | 0 | 114.7 | G91 Q92 | G91-S244 WeakPolarHBondContact CA-OG 3.47Å; G91-S244 PolarHBondContact O-N 2.65Å; G91-S244 PolarHBondContact O-OG 3.32Å; Q92-S244 PolarHBondContact N-OG 2.89Å | ||
| 245 | E | 75.5 | Confident | 77.5 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | trans | -69.6 | 150.6 | -171.5 | 58.2 | -84.5 | -169.8 | 0 | 0 | 115.6 | Q92 T93 G243 T250 N264 E321 | Q92-E245 HydrophobicContact CG-CB 4.24Å; T93-E245 WeakPolarHBondContact CB-OE1 3.11Å; T93-E245 WeakPolarHBondContact CB-OE2 3.4Å; T93-E245 PolarHBondContact N-OE2 2.98Å; T93-E245 VanDerWaalsContact OG1-CD 3.25Å; T93-E245 PolarHBondContact OG1-OE1 2.62Å; T93-E245 PolarHBondContact OG1-OE2 2.9Å; G243-E245 VanDerWaalsContact C-N 3.34Å; G243-E245 VanDerWaalsContact C-OE2 3.29Å; G243-E245 VanDerWaalsContact CA-OE2 3.22Å; G243-E245 WeakPolarHBondContact CA-OE2 3.32Å; E245-T250 HydrophobicContact CG-CG2 4.16Å; E245-N264 PolarHBondContact O-ND2 3.07Å; E245-E321 WeakPolarHBondContact CA-OE2 3.33Å | ||
| 246 | R | 64.3 | Low | 76 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 21% | 0.211 | 27% | 0.268 | C | S | . | . | trans | -68.5 | 133.1 | 173.5 | -58.9 | -171.2 | -175.9 | -121.2 | -4.7 | 111.5 | S248 K249 E321 E617 D620 | R246-S248 PolarHBondContact O-N 2.88Å; R246-K249 PolarHBondContact O-N 2.81Å; R246-E321 PolarHBondContact N-OE2 2.9Å; R246-E617 IonicContact NH2-OE1 2.76Å; R246-E617 PolarHBondContact NH2-OE1 3.37Å; R246-D620 IonicContact NH1-OD2 3.49Å | ||
| 247 | Q | 60.8 | Low | 74.6 | Confident | 47 Ų | 47 | 49 Ų | 49 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -53 | -31.7 | -179.1 | -63.5 | -177 | -8.8 | 0 | 0 | 114.2 | K249 T250 A260 T261 | Q247-K249 PolarHBondContact O-N 2.99Å; Q247-K249 VanDerWaalsContact O-N 3.1Å; Q247-T250 PolarHBondContact O-N 2.92Å; Q247-T250 PolarHBondContact O-OG1 3.29Å; Q247-A260 HydrophobicContact CG-CB 4.37Å; Q247-A260 PolarHBondContact NE2-O 3.32Å; Q247-T261 PolarHBondContact NE2-OG1 2.95Å; Q247-T261 VanDerWaalsContact NE2-OG1 3.11Å |
| 248 | S | 58.3 | Low | 73.1 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 69% | 0.685 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -57 | -23.7 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | R246 | R246-S248 PolarHBondContact O-N 2.88Š|
| 249 | K | 60.3 | Low | 71.6 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 44% | 0.443 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -89 | -14.9 | 176 | -69.1 | -178 | 177.7 | 172.5 | 0 | 114.6 | R246 Q247 E321 | R246-K249 PolarHBondContact O-N 2.81Å; Q247-K249 PolarHBondContact O-N 2.99Å; Q247-K249 VanDerWaalsContact O-N 3.1Å; K249-E321 WeakPolarHBondContact CD-OE1 3.29Å; K249-E321 VanDerWaalsContact CE-OE1 3.27Å; K249-E321 WeakPolarHBondContact CE-OE1 3.43Å; K249-E321 IonicContact NZ-OE1 2.9Å; K249-E321 PolarHBondContact NZ-OE1 3.25Å |
| 250 | T | 60.7 | Low | 70.1 | Confident | 65 Ų | 65 | 58 Ų | 58 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -17.7 | -173.4 | 71.2 | 0 | 0 | 0 | 0 | 113.7 | E245 Q247 A252 | E245-T250 HydrophobicContact CG-CG2 4.16Å; Q247-T250 PolarHBondContact O-N 2.92Å; Q247-T250 PolarHBondContact O-OG1 3.29Å; T250-A252 PolarHBondContact O-N 2.9Å; T250-A252 VanDerWaalsContact O-N 3.17Å; T250-A252 WeakPolarHBondContact OG1-CB 3.39Å |
| 251 | G | 60 | Low | 68.9 | Low | 64 Ų | 64 | 59.7 Ų | 59.7 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | trans | 62.8 | 17 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 252 | A | 59.9 | Low | 67.8 | Low | 18 Ų | 18 | 63.2 Ų | 63.2 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | trans | -68.4 | 133.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T250 R256 | T250-A252 PolarHBondContact O-N 2.9Å; T250-A252 VanDerWaalsContact O-N 3.17Å; T250-A252 WeakPolarHBondContact OG1-CB 3.39Å; A252-R256 HydrophobicContact CB-CB 3.91Å | ||
| 253 | T | 60.6 | Low | 66.9 | Low | 112 Ų | 112 | 63.9 Ų | 63.9 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | trans | -126.7 | 157.6 | 177.8 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | R256 | T253-R256 PolarHBondContact O-N 3.22Š| ||
| 254 | G | 72.8 | Confident | 66.2 | Low | 56 Ų | 56 | 65.5 Ų | 65.5 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -134.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R256 L257 | G254-R256 VanDerWaalsContact C-N 3.27Å; G254-R256 PolarHBondContact O-N 3.34Å; G254-L257 WeakPolarHBondContact O-CB 3.41Å; G254-L257 PolarHBondContact O-N 3.11Å; G254-L257 VanDerWaalsContact O-N 3.07Å |
| 255 | E | 63.7 | Low | 66 | Low | 155 Ų | 155 | 68.7 Ų | 68.7 | 72% | 0.724 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.3 | -33.6 | -177.3 | -61 | -175.1 | 137.7 | 0 | 0 | 112.8 | L257 R258 E259 | E255-L257 PolarHBondContact O-N 3.28Å; E255-L257 VanDerWaalsContact O-N 3.15Å; E255-R258 WeakPolarHBondContact O-CB 3.22Å; E255-R258 PolarHBondContact O-N 3.23Å; E255-E259 WeakPolarHBondContact O-CB 3.5Å; E255-E259 PolarHBondContact O-N 2.79Å |
| 256 | R | 63.9 | Low | 66.5 | Low | 126 Ų | 126 | 67.3 Ų | 67.3 | 48% | 0.475 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.2 | -29.1 | 174.1 | -71.4 | 173 | 168.7 | 163 | 3.6 | 113.1 | N204 A252 T253 G254 A260 | N204-R256 VanDerWaalsContact ND2-CG 3.34Å; N204-R256 WeakPolarHBondContact ND2-CG 3.42Å; N204-R256 VanDerWaalsContact OD1-CZ 3.22Å; N204-R256 PolarHBondContact OD1-NE 2.88Å; N204-R256 PolarHBondContact OD1-NH2 3.49Å; A252-R256 HydrophobicContact CB-CB 3.91Å; T253-R256 PolarHBondContact O-N 3.22Å; G254-R256 VanDerWaalsContact C-N 3.27Å; G254-R256 PolarHBondContact O-N 3.34Å; R256-A260 VanDerWaalsContact O-CB 3.24Å; R256-A260 WeakPolarHBondContact O-CB 3.21Å; R256-A260 PolarHBondContact O-N 3.26Å |
| 257 | L | 66.4 | Low | 67.6 | Low | 59 Ų | 59 | 65.1 Ų | 65.1 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -78.2 | -34.7 | 177.1 | -174.7 | 62 | 0 | 0 | 0 | 111.7 | G254 E255 T261 | G254-L257 WeakPolarHBondContact O-CB 3.41Å; G254-L257 PolarHBondContact O-N 3.11Å; G254-L257 VanDerWaalsContact O-N 3.07Å; E255-L257 PolarHBondContact O-N 3.28Å; E255-L257 VanDerWaalsContact O-N 3.15Å; L257-T261 WeakPolarHBondContact O-CB 3.27Å; L257-T261 PolarHBondContact O-N 3.11Å; L257-T261 PolarHBondContact O-OG1 2.83Å |
| 258 | R | 67.5 | Low | 68.8 | Low | 175 Ų | 175 | 65 Ų | 65 | 66% | 0.66 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67 | -45.2 | 172.7 | -65.7 | 178.2 | 171.4 | 168.6 | -4.5 | 110.8 | E255 T261 K262 | E255-R258 WeakPolarHBondContact O-CB 3.22Å; E255-R258 PolarHBondContact O-N 3.23Å; R258-T261 WeakPolarHBondContact O-CB 3.34Å; R258-T261 PolarHBondContact O-N 3.45Å; R258-T261 VanDerWaalsContact O-N 3.11Å; R258-K262 PolarHBondContact O-N 2.94Å |
| 259 | E | 65.7 | Low | 70.3 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.8 | -55.3 | 173.7 | -171.1 | -167.9 | 155.3 | 0 | 0 | 111.2 | Y143 N204 R209 E255 T261 K262 I263 | Y143-E259 HydrophobicContact CE2-CG 4.07Å; Y143-E259 PolarHBondContact OH-OE1 3.25Å; N204-E259 PolarHBondContact ND2-OE2 2.93Å; R209-E259 WeakPolarHBondContact CD-OE1 3.17Å; R209-E259 IonicContact CZ-OE1 3.75Å; R209-E259 IonicContact NE-OE1 3.64Å; R209-E259 IonicContact NH1-OE1 3.65Å; R209-E259 PolarHBondContact NH1-OE1 3.23Å; R209-E259 IonicContact NH1-OE2 2.97Å; R209-E259 PolarHBondContact NH1-OE2 3.34Å; E255-E259 WeakPolarHBondContact O-CB 3.5Å; E255-E259 PolarHBondContact O-N 2.79Å; E259-T261 PolarHBondContact O-N 2.85Å; E259-T261 VanDerWaalsContact O-N 3.13Å; E259-K262 PolarHBondContact O-N 3.27Å; E259-I263 HydrophobicContact CG-CD1 4.05Å; E259-I263 WeakPolarHBondContact O-CG1 3.37Å; E259-I263 PolarHBondContact O-N 2.98Å |
| 260 | A | 65.3 | Low | 71.7 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -17.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q247 R256 N264 | Q247-A260 HydrophobicContact CG-CB 4.37Å; Q247-A260 PolarHBondContact NE2-O 3.32Å; R256-A260 VanDerWaalsContact O-CB 3.24Å; R256-A260 WeakPolarHBondContact O-CB 3.21Å; R256-A260 PolarHBondContact O-N 3.26Å; A260-N264 WeakPolarHBondContact O-CB 3.19Å; A260-N264 PolarHBondContact O-N 2.95Å; A260-N264 PolarHBondContact O-OD1 2.86Å; A260-N264 VanDerWaalsContact O-OD1 3.11Å |
| 261 | T | 69 | Low | 73.1 | Confident | 42 Ų | 42 | 53 Ų | 53 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -77.7 | -37.2 | 172.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | Q247 L257 R258 E259 L265 | Q247-T261 PolarHBondContact NE2-OG1 2.95Å; Q247-T261 VanDerWaalsContact NE2-OG1 3.11Å; L257-T261 WeakPolarHBondContact O-CB 3.27Å; L257-T261 PolarHBondContact O-N 3.11Å; L257-T261 PolarHBondContact O-OG1 2.83Å; R258-T261 WeakPolarHBondContact O-CB 3.34Å; R258-T261 PolarHBondContact O-N 3.45Å; R258-T261 VanDerWaalsContact O-N 3.11Å; E259-T261 PolarHBondContact O-N 2.85Å; E259-T261 VanDerWaalsContact O-N 3.13Å; T261-L265 WeakPolarHBondContact O-CB 3.5Å; T261-L265 PolarHBondContact O-N 3.19Å; T261-L265 VanDerWaalsContact O-N 3.11Å |
| 262 | K | 70.1 | Confident | 74.5 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 33% | 0.326 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -76.9 | -33.9 | 175.7 | -78.2 | 176.2 | 147.6 | -153.1 | 0 | 113.3 | N144 R258 E259 L265 S266 | N144-K262 HydrophobicContact CB-CD 4.4Å; N144-K262 PolarHBondContact ND2-NZ 3.5Å; N144-K262 WeakPolarHBondContact O-CD 3.47Å; N144-K262 WeakPolarHBondContact O-CE 3.29Å; N144-K262 PolarHBondContact O-NZ 2.89Å; N144-K262 WeakPolarHBondContact OD1-CD 3.42Å; R258-K262 PolarHBondContact O-N 2.94Å; E259-K262 PolarHBondContact O-N 3.27Å; K262-L265 WeakPolarHBondContact O-CB 3.49Å; K262-L265 PolarHBondContact O-N 3.24Å; K262-S266 PolarHBondContact O-N 3.04Å; K262-S266 PolarHBondContact O-OG 3.36Å |
| 263 | I | 68.9 | Low | 76 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 174.4 | -64.8 | 162.6 | 0 | 0 | 0 | 110.8 | R209 A242 E259 L265 | R209-I263 HydrophobicContact CB-CD1 3.66Å; R209-I263 HydrophobicContact CG-CD1 3.98Å; R209-I263 WeakPolarHBondContact O-CD1 3.34Å; R209-I263 WeakPolarHBondContact O-CG1 3.25Å; A242-I263 HydrophobicContact CB-CG2 3.6Å; E259-I263 HydrophobicContact CG-CD1 4.05Å; E259-I263 WeakPolarHBondContact O-CG1 3.37Å; E259-I263 PolarHBondContact O-N 2.98Å; I263-L265 VanDerWaalsContact C-N 3.26Å; I263-L265 PolarHBondContact O-N 3.33Å |
| 264 | N | 72.1 | Confident | 77.4 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.1 | -20.7 | 177.9 | -69.8 | 45.3 | 0 | 0 | 0 | 112.3 | E245 A260 S268 | E245-N264 PolarHBondContact O-ND2 3.07Å; A260-N264 WeakPolarHBondContact O-CB 3.19Å; A260-N264 PolarHBondContact O-N 2.95Å; A260-N264 PolarHBondContact O-OD1 2.86Å; A260-N264 VanDerWaalsContact O-OD1 3.11Å; N264-S268 VanDerWaalsContact O-CB 3.23Å; N264-S268 WeakPolarHBondContact O-CB 3.46Å; N264-S268 PolarHBondContact O-N 3.35Å; N264-S268 PolarHBondContact O-OG 3.48Å |
| 265 | L | 81 | Confident | 78.1 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 44% | 0.44 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -51.3 | 173.7 | -178.9 | 64 | 0 | 0 | 0 | 111.4 | E145 T261 K262 I263 L267 S268 A269 | E145-L265 HydrophobicContact CG-CD2 4.4Å; T261-L265 WeakPolarHBondContact O-CB 3.5Å; T261-L265 PolarHBondContact O-N 3.19Å; T261-L265 VanDerWaalsContact O-N 3.11Å; K262-L265 WeakPolarHBondContact O-CB 3.49Å; K262-L265 PolarHBondContact O-N 3.24Å; I263-L265 VanDerWaalsContact C-N 3.26Å; I263-L265 PolarHBondContact O-N 3.33Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.96Å; L265-S268 PolarHBondContact O-N 3.15Å; L265-A269 WeakPolarHBondContact O-CB 3.45Å; L265-A269 PolarHBondContact O-N 3.3Å |
| 266 | S | 86.1 | Confident | 79.3 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -36.6 | 179.8 | 5.6 | 0 | 0 | 0 | 0 | 112.8 | E145 H211 K262 L270 | E145-S266 WeakPolarHBondContact OE1-CB 3.49Å; E145-S266 PolarHBondContact OE1-OG 3.49Å; H211-S266 WeakPolarHBondContact NE2-CB 3.41Å; H211-S266 PolarHBondContact NE2-OG 2.9Å; K262-S266 PolarHBondContact O-N 3.04Å; K262-S266 PolarHBondContact O-OG 3.36Å; S266-L270 WeakPolarHBondContact O-CB 3.46Å; S266-L270 PolarHBondContact O-N 3.49Å |
| 267 | L | 86.9 | Confident | 80.5 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.8 | -31.1 | 176.4 | -63.6 | -177.5 | 0 | 0 | 0 | 113.2 | Y90 L241 A242 G243 L265 L270 G271 L292 | Y90-L267 HydrophobicContact CD2-CD2 4.48Å; Y90-L267 HydrophobicContact CE2-CD2 4.23Å; L241-L267 HydrophobicContact CB-CD2 4.48Å; L241-L267 HydrophobicContact CD1-CD2 4.31Å; A242-L267 HydrophobicContact CB-CD1 4.49Å; G243-L267 WeakPolarHBondContact O-CD1 3.29Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.96Å; L267-L270 HydrophobicContact CD2-CD2 4.37Å; L267-G271 PolarHBondContact O-N 2.88Å; L267-L292 HydrophobicContact CD2-CD2 4.34Å |
| 268 | S | 85.7 | Confident | 81.4 | Confident | 46 Ų | 46 | 34.9 Ų | 34.9 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -68.5 | -44 | 171 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | N264 L265 L270 G271 N272 | N264-S268 VanDerWaalsContact O-CB 3.23Å; N264-S268 WeakPolarHBondContact O-CB 3.46Å; N264-S268 PolarHBondContact O-N 3.35Å; N264-S268 PolarHBondContact O-OG 3.48Å; L265-S268 PolarHBondContact O-N 3.15Å; S268-L270 VanDerWaalsContact C-N 3.33Å; S268-L270 PolarHBondContact O-N 3.49Å; S268-G271 CarbonylContact O-C 3.58Å; S268-G271 WeakPolarHBondContact O-CA 3.44Å; S268-G271 PolarHBondContact O-N 3.48Å; S268-G271 VanDerWaalsContact O-N 3.08Å; S268-N272 VanDerWaalsContact O-CG 3.32Å; S268-N272 PolarHBondContact O-N 2.89Å; S268-N272 PolarHBondContact O-OD1 3.42Å |
| 269 | A | 89 | Confident | 81.9 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L265 G271 N272 V273 D289 T293 | L265-A269 WeakPolarHBondContact O-CB 3.45Å; L265-A269 PolarHBondContact O-N 3.3Å; A269-G271 VanDerWaalsContact C-N 3.3Å; A269-G271 PolarHBondContact O-N 3.01Å; A269-N272 WeakPolarHBondContact O-CB 3.44Å; A269-N272 PolarHBondContact O-N 3.26Å; A269-N272 VanDerWaalsContact O-N 3.16Å; A269-V273 WeakPolarHBondContact O-CG2 3.45Å; A269-V273 PolarHBondContact O-N 2.94Å; A269-D289 HydrophobicContact CB-CB 3.63Å; A269-T293 HydrophobicContact CB-CG2 4.02Å |
| 270 | L | 91.4 | Very high | 82.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -42 | 174.4 | -162.3 | 72.1 | 0 | 0 | 0 | 111.1 | L241 S266 L267 S268 V273 I274 L292 T293 L296 L300 Y328 | L241-L270 HydrophobicContact CD1-CD2 4.03Å; S266-L270 WeakPolarHBondContact O-CB 3.46Å; S266-L270 PolarHBondContact O-N 3.49Å; L267-L270 HydrophobicContact CD2-CD2 4.37Å; S268-L270 VanDerWaalsContact C-N 3.33Å; S268-L270 PolarHBondContact O-N 3.49Å; L270-V273 PolarHBondContact O-N 3.27Å; L270-I274 WeakPolarHBondContact O-CG1 3.43Å; L270-I274 PolarHBondContact O-N 3.2Å; L270-L292 HydrophobicContact CD2-CD2 4.43Å; L270-T293 HydrophobicContact CB-CG2 4.01Å; L270-T293 HydrophobicContact CD1-CG2 3.8Å; L270-L296 HydrophobicContact CD1-CD1 4.32Å; L270-L300 HydrophobicContact CD1-CD1 3.57Å; L270-L300 HydrophobicContact CG-CD1 4.48Å; L270-Y328 VanDerWaalsContact CB-OH 3.27Å; L270-Y328 WeakPolarHBondContact CB-OH 3.13Å; L270-Y328 WeakPolarHBondContact CD2-OH 3.42Å; L270-Y328 WeakPolarHBondContact CG-OH 3.45Å |
| 271 | G | 89.5 | Confident | 82.1 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L267 S268 A269 S275 Y328 | L267-G271 PolarHBondContact O-N 2.88Å; S268-G271 CarbonylContact O-C 3.58Å; S268-G271 WeakPolarHBondContact O-CA 3.44Å; S268-G271 PolarHBondContact O-N 3.48Å; S268-G271 VanDerWaalsContact O-N 3.08Å; A269-G271 VanDerWaalsContact C-N 3.3Å; A269-G271 PolarHBondContact O-N 3.01Å; G271-S275 VanDerWaalsContact O-CB 3.29Å; G271-S275 WeakPolarHBondContact O-CB 3.45Å; G271-S275 PolarHBondContact O-N 3.07Å; G271-S275 PolarHBondContact O-OG 2.85Å; G271-Y328 PolarHBondContact N-OH 3.28Å; G271-Y328 VanDerWaalsContact N-OH 3.1Å |
| 272 | N | 88.8 | Confident | 82.1 | Confident | 69 Ų | 69 | 43.9 Ų | 43.9 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.9 | -46.3 | 174.4 | -69.4 | -13.3 | 0 | 0 | 0 | 111 | S268 A269 S275 A276 P286 | S268-N272 VanDerWaalsContact O-CG 3.32Å; S268-N272 PolarHBondContact O-N 2.89Å; S268-N272 PolarHBondContact O-OD1 3.42Å; A269-N272 WeakPolarHBondContact O-CB 3.44Å; A269-N272 PolarHBondContact O-N 3.26Å; A269-N272 VanDerWaalsContact O-N 3.16Å; N272-S275 PolarHBondContact O-N 3.16Å; N272-A276 VanDerWaalsContact O-CB 3.31Å; N272-A276 WeakPolarHBondContact O-CB 3.37Å; N272-A276 PolarHBondContact O-N 3.24Å; N272-P286 HydrophobicContact CB-CG 4Å |
| 273 | V | 91.8 | Very high | 82.5 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.3 | -52.6 | 175 | 164.4 | 0 | 0 | 0 | 0 | 110.9 | A269 L270 S275 A276 L277 I285 P286 Y287 T293 L300 | A269-V273 WeakPolarHBondContact O-CG2 3.45Å; A269-V273 PolarHBondContact O-N 2.94Å; L270-V273 PolarHBondContact O-N 3.27Å; V273-S275 PolarHBondContact O-N 3.41Å; V273-A276 PolarHBondContact O-N 2.9Å; V273-L277 HydrophobicContact CG1-CD1 3.81Å; V273-L277 WeakPolarHBondContact O-CB 3.39Å; V273-L277 WeakPolarHBondContact O-CG 3.43Å; V273-L277 PolarHBondContact O-N 2.71Å; V273-I285 HydrophobicContact CB-CG2 4.28Å; V273-I285 HydrophobicContact CG1-CG2 3.9Å; V273-I285 HydrophobicContact CG2-CG2 4.21Å; V273-P286 HydrophobicContact CG2-CG 4.13Å; V273-P286 WeakPolarHBondContact CG2-O 3.46Å; V273-Y287 HydrophobicContact CG1-CD1 3.78Å; V273-Y287 HydrophobicContact CG1-CE1 3.5Å; V273-Y287 VanDerWaalsContact CG1-CE1 3.5Å; V273-Y287 HydrophobicContact CG2-CD1 3.97Å; V273-Y287 HydrophobicContact CG2-CE1 4.47Å; V273-T293 HydrophobicContact CG2-CG2 3.92Å; V273-L300 HydrophobicContact CG1-CB 4.48Å; V273-L300 HydrophobicContact CG1-CD1 4.3Å |
| 274 | I | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 178.7 | -68.9 | -172.6 | 0 | 0 | 0 | 111.3 | L270 A276 L277 V278 L300 Y328 R331 A332 I335 | L270-I274 WeakPolarHBondContact O-CG1 3.43Å; L270-I274 PolarHBondContact O-N 3.2Å; I274-A276 PolarHBondContact O-N 3.42Å; I274-L277 PolarHBondContact O-N 2.75Å; I274-V278 HydrophobicContact CG2-CG2 4.39Å; I274-V278 VanDerWaalsContact O-CG2 3.23Å; I274-V278 WeakPolarHBondContact O-CG2 3.28Å; I274-V278 PolarHBondContact O-N 2.94Å; I274-L300 HydrophobicContact CG1-CD1 4.37Å; I274-Y328 HydrophobicContact CD1-CD1 4.38Å; I274-Y328 HydrophobicContact CD1-CE1 3.55Å; I274-R331 HydrophobicContact CG2-CB 3.89Å; I274-A332 HydrophobicContact CD1-CB 4.09Å; I274-A332 HydrophobicContact CG2-CB 4.47Å; I274-I335 HydrophobicContact CB-CD1 4.2Å; I274-I335 HydrophobicContact CD1-CD1 4.1Å; I274-I335 HydrophobicContact CG1-CD1 3.69Å; I274-I335 HydrophobicContact CG2-CD1 4.02Å; I274-I335 HydrophobicContact CG2-CG1 4.5Å |
| 275 | S | 87.5 | Confident | 84.1 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -179.9 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | G271 N272 V273 V279 R331 | G271-S275 VanDerWaalsContact O-CB 3.29Å; G271-S275 WeakPolarHBondContact O-CB 3.45Å; G271-S275 PolarHBondContact O-N 3.07Å; G271-S275 PolarHBondContact O-OG 2.85Å; N272-S275 PolarHBondContact O-N 3.16Å; V273-S275 PolarHBondContact O-N 3.41Å; S275-V279 WeakPolarHBondContact O-CB 3.35Å; S275-V279 VanDerWaalsContact O-CG2 3.23Å; S275-V279 WeakPolarHBondContact O-CG2 3.45Å; S275-V279 PolarHBondContact O-N 3.17Å; S275-V279 VanDerWaalsContact O-N 3.16Å; S275-R331 PolarHBondContact OG-NH1 3.33Å |
| 276 | A | 88.5 | Confident | 84.6 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N272 V273 I274 G280 I285 | N272-A276 VanDerWaalsContact O-CB 3.31Å; N272-A276 WeakPolarHBondContact O-CB 3.37Å; N272-A276 PolarHBondContact O-N 3.24Å; V273-A276 PolarHBondContact O-N 2.9Å; I274-A276 PolarHBondContact O-N 3.42Å; A276-G280 PolarHBondContact O-N 3.17Å; A276-I285 HydrophobicContact CB-CD1 3.69Å |
| 277 | L | 88.7 | Confident | 84.9 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 176.8 | -75.2 | 165.8 | 0 | 0 | 0 | 112 | V273 I274 G280 I285 L300 I335 | V273-L277 HydrophobicContact CG1-CD1 3.81Å; V273-L277 WeakPolarHBondContact O-CB 3.39Å; V273-L277 WeakPolarHBondContact O-CG 3.43Å; V273-L277 PolarHBondContact O-N 2.71Å; I274-L277 PolarHBondContact O-N 2.75Å; L277-G280 PolarHBondContact O-N 3.21Å; L277-I285 HydrophobicContact CD2-CD1 4.07Å; L277-I285 HydrophobicContact CD2-CG1 4.01Å; L277-I285 HydrophobicContact CD2-CG2 4.36Å; L277-I285 HydrophobicContact CG-CD1 4.21Å; L277-I285 HydrophobicContact CG-CG1 4.43Å; L277-I285 HydrophobicContact CG-CG2 4.07Å; L277-L300 HydrophobicContact CD1-CB 4.06Å; L277-L300 WeakPolarHBondContact CD1-O 3.45Å; L277-I335 HydrophobicContact CB-CG1 4.32Å; L277-I335 HydrophobicContact CD1-CD1 4.39Å; L277-I335 HydrophobicContact CD1-CG1 4.49Å; L277-I335 HydrophobicContact CD1-CG2 4.04Å |
| 278 | V | 85.9 | Confident | 85 | Confident | 52 Ų | 52 | 62 Ų | 62 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.9 | -34.8 | -176.2 | 175 | 0 | 0 | 0 | 0 | 112.6 | I274 G280 R331 I335 | I274-V278 HydrophobicContact CG2-CG2 4.39Å; I274-V278 VanDerWaalsContact O-CG2 3.23Å; I274-V278 WeakPolarHBondContact O-CG2 3.28Å; I274-V278 PolarHBondContact O-N 2.94Å; V278-G280 VanDerWaalsContact C-N 3.29Å; V278-G280 PolarHBondContact O-N 3.03Å; V278-R331 WeakPolarHBondContact CG2-O 3.41Å; V278-I335 HydrophobicContact CG2-CG1 3.95Å |
| 279 | V | 78.4 | Confident | 85.1 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -72.5 | -22.4 | 179.9 | 169.5 | 0 | 0 | 0 | 0 | 112.4 | S275 R281 | S275-V279 WeakPolarHBondContact O-CB 3.35Å; S275-V279 VanDerWaalsContact O-CG2 3.23Å; S275-V279 WeakPolarHBondContact O-CG2 3.45Å; S275-V279 PolarHBondContact O-N 3.17Å; S275-V279 VanDerWaalsContact O-N 3.16Å; V279-R281 HydrophobicContact CG1-CB 4.11Å; V279-R281 HydrophobicContact CG1-CG 4.17Å; V279-R281 PolarHBondContact O-N 2.86Å |
| 280 | G | 68.8 | Low | 85.2 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 68% | 0.68 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 65.9 | -7.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | A276 L277 V278 | A276-G280 PolarHBondContact O-N 3.17Å; L277-G280 PolarHBondContact O-N 3.21Å; V278-G280 VanDerWaalsContact C-N 3.29Å; V278-G280 PolarHBondContact O-N 3.03Å |
| 281 | R | 65.9 | Low | 85.2 | Confident | 225 Ų | 225 | 64.9 Ų | 64.9 | 85% | 0.849 | 33% | 0.332 | S | S | * | . | trans | -88.4 | -15.9 | 178.6 | -61.3 | 175 | -175.6 | -173.3 | -0 | 113.2 | V279 K283 | V279-R281 HydrophobicContact CG1-CB 4.11Å; V279-R281 HydrophobicContact CG1-CG 4.17Å; V279-R281 PolarHBondContact O-N 2.86Å; R281-K283 PolarHBondContact O-N 2.87Å | ||
| 282 | S | 68.7 | Low | 85.4 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 38% | 0.378 | 33% | 0.327 | S | S | . | . | trans | -80.9 | 107 | -176.8 | -62.3 | 0 | 0 | 0 | 0 | 111 | H284 | S282-H284 PolarHBondContact O-N 3.34Š| ||
| 283 | K | 77.4 | Confident | 85.6 | Confident | 220 Ų | 220 | 61.2 Ų | 61.2 | 96% | 0.957 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -64.2 | -19.3 | 174.2 | -71.8 | -173.7 | 174.1 | -176.1 | 0 | 114 | R281 | R281-K283 PolarHBondContact O-N 2.87Š|
| 284 | H | 85.9 | Confident | 85.7 | Confident | 141 Ų | 141 | 62.6 Ų | 62.6 | 65% | 0.653 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -128.5 | 134.5 | 178.7 | 177.9 | -92.3 | 0 | 0 | 0 | 108.7 | S282 | S282-H284 PolarHBondContact O-N 3.34Š|
| 285 | I | 89.8 | Confident | 85.8 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | trans | -108.9 | 127.6 | 177.7 | -52.8 | -59.3 | 0 | 0 | 0 | 107.7 | V273 A276 L277 Y287 | V273-I285 HydrophobicContact CB-CG2 4.28Å; V273-I285 HydrophobicContact CG1-CG2 3.9Å; V273-I285 HydrophobicContact CG2-CG2 4.21Å; A276-I285 HydrophobicContact CB-CD1 3.69Å; L277-I285 HydrophobicContact CD2-CD1 4.07Å; L277-I285 HydrophobicContact CD2-CG1 4.01Å; L277-I285 HydrophobicContact CD2-CG2 4.36Å; L277-I285 HydrophobicContact CG-CD1 4.21Å; L277-I285 HydrophobicContact CG-CG1 4.43Å; L277-I285 HydrophobicContact CG-CG2 4.07Å; I285-Y287 HydrophobicContact CB-CD2 4.03Å; I285-Y287 HydrophobicContact CB-CE2 3.54Å; I285-Y287 HydrophobicContact CG1-CE2 4.34Å; I285-Y287 HydrophobicContact CG2-CD1 4.27Å; I285-Y287 HydrophobicContact CG2-CD2 4.05Å; I285-Y287 HydrophobicContact CG2-CE1 3.8Å; I285-Y287 HydrophobicContact CG2-CE2 3.6Å; I285-Y287 HydrophobicContact CG2-CG 4.37Å; I285-Y287 VanDerWaalsContact CG2-CZ 3.44Å; I285-Y287 PolarHBondContact O-N 3.12Å | ||
| 286 | P | 90.9 | Very high | 86.1 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | trans | -80.8 | 54.5 | -167.6 | 33.6 | -37.7 | 0 | 0 | 0 | 113.7 | N272 V273 R288 D289 | N272-P286 HydrophobicContact CB-CG 4Å; V273-P286 HydrophobicContact CG2-CG 4.13Å; V273-P286 WeakPolarHBondContact CG2-O 3.46Å; P286-R288 PolarHBondContact O-N 2.99Å; P286-D289 WeakPolarHBondContact CB-OD1 3.28Å; P286-D289 WeakPolarHBondContact O-CB 3.36Å; P286-D289 PolarHBondContact O-N 3.19Å | ||
| 287 | Y | 91.9 | Very high | 86.3 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 14% | 0.137 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -62 | -27.5 | 179.1 | -59.5 | -71.8 | 0 | 0 | 0 | 113.1 | V273 I285 D289 T293 R294 Q297 L300 | V273-Y287 HydrophobicContact CG1-CD1 3.78Å; V273-Y287 HydrophobicContact CG1-CE1 3.5Å; V273-Y287 VanDerWaalsContact CG1-CE1 3.5Å; V273-Y287 HydrophobicContact CG2-CD1 3.97Å; V273-Y287 HydrophobicContact CG2-CE1 4.47Å; I285-Y287 HydrophobicContact CB-CD2 4.03Å; I285-Y287 HydrophobicContact CB-CE2 3.54Å; I285-Y287 HydrophobicContact CG1-CE2 4.34Å; I285-Y287 HydrophobicContact CG2-CD1 4.27Å; I285-Y287 HydrophobicContact CG2-CD2 4.05Å; I285-Y287 HydrophobicContact CG2-CE1 3.8Å; I285-Y287 HydrophobicContact CG2-CE2 3.6Å; I285-Y287 HydrophobicContact CG2-CG 4.37Å; I285-Y287 VanDerWaalsContact CG2-CZ 3.44Å; I285-Y287 PolarHBondContact O-N 3.12Å; Y287-D289 VanDerWaalsContact C-N 3.29Å; Y287-D289 PolarHBondContact O-N 2.85Å; Y287-T293 CarbonylContact O-C 3.58Å; Y287-T293 VanDerWaalsContact O-C 3.26Å; Y287-T293 WeakPolarHBondContact O-CB 3.39Å; Y287-T293 PolarHBondContact O-OG1 2.94Å; Y287-R294 VanDerWaalsContact O-CG 3.32Å; Y287-R294 WeakPolarHBondContact O-CG 3.39Å; Y287-R294 PolarHBondContact O-N 2.98Å; Y287-R294 VanDerWaalsContact O-N 3.1Å; Y287-Q297 VanDerWaalsContact CB-OE1 3.28Å; Y287-Q297 HydrophobicContact CD1-CB 3.97Å; Y287-Q297 HydrophobicContact CD1-CG 3.86Å; Y287-Q297 HydrophobicContact CD2-CG 3.71Å; Y287-Q297 HydrophobicContact CE1-CB 4.37Å; Y287-Q297 HydrophobicContact CE1-CG 4.05Å; Y287-Q297 HydrophobicContact CE2-CG 3.88Å; Y287-Q297 HydrophobicContact CG-CB 4.11Å; Y287-Q297 HydrophobicContact CG-CG 3.7Å; Y287-L300 PolarHBondContact OH-O 3.18Å |
| 288 | R | 90.1 | Very high | 86.4 | Confident | 155 Ų | 155 | 64.7 Ų | 64.7 | 59% | 0.585 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -77.9 | -6.1 | -178.1 | -68.5 | -175 | 172.5 | 178.7 | -0.2 | 114.6 | E163 P286 S290 R294 | E163-R288 IonicContact OE1-CZ 2.76Å; E163-R288 IonicContact OE1-NE 2.67Å; E163-R288 IonicContact OE1-NH2 3.21Å; E163-R288 PolarHBondContact OE1-NH2 3.43Å; E163-R288 IonicContact OE2-CZ 3.76Å; E163-R288 IonicContact OE2-NH2 3.08Å; E163-R288 PolarHBondContact OE2-NH2 2.88Å; P286-R288 PolarHBondContact O-N 2.99Å; R288-S290 PolarHBondContact O-N 2.92Å; R288-R294 HydrophobicContact CG-CG 4.15Å |
| 289 | D | 87.1 | Confident | 86.8 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -64.7 | -17 | 178.8 | -74.7 | 20.6 | 0 | 0 | 0 | 114 | A269 P286 Y287 | A269-D289 HydrophobicContact CB-CB 3.63Å; P286-D289 WeakPolarHBondContact CB-OD1 3.28Å; P286-D289 WeakPolarHBondContact O-CB 3.36Å; P286-D289 PolarHBondContact O-N 3.19Å; Y287-D289 VanDerWaalsContact C-N 3.29Å; Y287-D289 PolarHBondContact O-N 2.85Å |
| 290 | S | 91.7 | Very high | 87.4 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.028 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -152.6 | 155.9 | 171.7 | 72.7 | 0 | 0 | 0 | 0 | 112.2 | E145 R288 L292 T293 R294 | E145-S290 WeakPolarHBondContact OE2-CA 3.39Å; E145-S290 WeakPolarHBondContact OE2-CB 3.38Å; R288-S290 PolarHBondContact O-N 2.92Å; S290-L292 PolarHBondContact O-N 2.97Å; S290-T293 PolarHBondContact N-OG1 3.22Å; S290-T293 PolarHBondContact O-N 2.91Å; S290-T293 PolarHBondContact O-OG1 2.84Å; S290-T293 PolarHBondContact OG-N 2.9Å; S290-T293 PolarHBondContact OG-OG1 3.18Å; S290-R294 PolarHBondContact O-N 2.92Å |
| 291 | K | 91.6 | Very high | 88.3 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 10% | 0.1 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -29.7 | 174.5 | -57.3 | -86.1 | -174.8 | 175.7 | 0 | 110.6 | E145 V147 E160 L161 L295 D667 | E145-K291 PolarHBondContact OE2-N 3.46Å; V147-K291 HydrophobicContact CG2-CB 4.33Å; E160-K291 IonicContact OE1-NZ 3.68Å; E160-K291 IonicContact OE2-NZ 3.33Å; E160-K291 PolarHBondContact OE2-NZ 3.39Å; L161-K291 HydrophobicContact CD1-CB 3.83Å; L161-K291 HydrophobicContact CD1-CD 3.83Å; L161-K291 HydrophobicContact CD1-CG 4.37Å; L161-K291 WeakPolarHBondContact CD1-O 3.48Å; L161-K291 HydrophobicContact CG-CD 4.05Å; K291-L295 PolarHBondContact O-N 3.39Å; K291-D667 PolarHBondContact NZ-O 2.88Å |
| 292 | L | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -50.1 | 172.7 | 176.9 | 68.4 | 0 | 0 | 0 | 112.5 | I142 H211 I213 L241 L267 L270 S290 R294 L295 L296 | I142-L292 HydrophobicContact CD1-CB 3.93Å; I142-L292 HydrophobicContact CD1-CD1 3.9Å; H211-L292 HydrophobicContact CB-CD1 4.22Å; I213-L292 HydrophobicContact CD1-CD1 4.5Å; L241-L292 HydrophobicContact CD2-CD1 3.9Å; L241-L292 HydrophobicContact CD2-CD2 4Å; L267-L292 HydrophobicContact CD2-CD2 4.34Å; L270-L292 HydrophobicContact CD2-CD2 4.43Å; S290-L292 PolarHBondContact O-N 2.97Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.46Å; L292-L295 PolarHBondContact O-N 2.83Å; L292-L296 HydrophobicContact CD1-CD1 3.75Å; L292-L296 HydrophobicContact CD1-CG 4.24Å; L292-L296 HydrophobicContact CG-CD1 4.2Å; L292-L296 PolarHBondContact O-N 2.82Å |
| 293 | T | 93.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.5 | -25.5 | -177.7 | 42.3 | 0 | 0 | 0 | 0 | 113.3 | A269 L270 V273 Y287 S290 Q297 | A269-T293 HydrophobicContact CB-CG2 4.02Å; L270-T293 HydrophobicContact CB-CG2 4.01Å; L270-T293 HydrophobicContact CD1-CG2 3.8Å; V273-T293 HydrophobicContact CG2-CG2 3.92Å; Y287-T293 CarbonylContact O-C 3.58Å; Y287-T293 VanDerWaalsContact O-C 3.26Å; Y287-T293 WeakPolarHBondContact O-CB 3.39Å; Y287-T293 PolarHBondContact O-OG1 2.94Å; S290-T293 PolarHBondContact N-OG1 3.22Å; S290-T293 PolarHBondContact O-N 2.91Å; S290-T293 PolarHBondContact O-OG1 2.84Å; S290-T293 PolarHBondContact OG-N 2.9Å; S290-T293 PolarHBondContact OG-OG1 3.18Å; T293-Q297 PolarHBondContact O-N 3.37Å |
| 294 | R | 93.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.2 | -47.4 | 168.1 | -67.4 | -179.8 | 72 | -163.6 | -6.1 | 110.9 | L161 E163 V169 Y287 R288 S290 L292 L296 Q297 | L161-R294 HydrophobicContact CD1-CB 3.83Å; L161-R294 PolarHBondContact O-NH2 2.91Å; E163-R294 IonicContact OE1-CZ 3.72Å; E163-R294 IonicContact OE1-NE 2.89Å; E163-R294 PolarHBondContact OE1-NE 3.21Å; E163-R294 IonicContact OE1-NH2 3.11Å; E163-R294 PolarHBondContact OE1-NH2 3.16Å; V169-R294 HydrophobicContact CG1-CB 4.12Å; V169-R294 WeakPolarHBondContact CG2-O 3.45Å; Y287-R294 VanDerWaalsContact O-CG 3.32Å; Y287-R294 WeakPolarHBondContact O-CG 3.39Å; Y287-R294 PolarHBondContact O-N 2.98Å; Y287-R294 VanDerWaalsContact O-N 3.1Å; R288-R294 HydrophobicContact CG-CG 4.15Å; S290-R294 PolarHBondContact O-N 2.92Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 3.46Å; R294-L296 VanDerWaalsContact C-N 3.32Å; R294-L296 PolarHBondContact O-N 3.03Å; R294-Q297 VanDerWaalsContact O-CB 3.22Å; R294-Q297 WeakPolarHBondContact O-CB 3.43Å; R294-Q297 PolarHBondContact O-N 2.95Å |
| 295 | L | 93.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.9 | -28.5 | 179.4 | -77.4 | 169 | 0 | 0 | 0 | 114.1 | L140 I142 L161 V171 I213 K291 L292 | L140-L295 HydrophobicContact CD2-CD1 4.5Å; I142-L295 HydrophobicContact CD1-CD1 3.75Å; I142-L295 HydrophobicContact CG1-CD1 4.41Å; L161-L295 HydrophobicContact CD1-CG 4.09Å; L161-L295 HydrophobicContact CD2-CD1 4.01Å; L161-L295 HydrophobicContact CD2-CD2 3.75Å; L161-L295 HydrophobicContact CD2-CG 3.84Å; V171-L295 HydrophobicContact CG2-CD1 4.43Å; V171-L295 HydrophobicContact CG2-CD2 3.83Å; I213-L295 HydrophobicContact CD1-CB 4.38Å; I213-L295 HydrophobicContact CD1-CD1 4.37Å; K291-L295 PolarHBondContact O-N 3.39Å; L292-L295 PolarHBondContact O-N 2.83Å |
| 296 | L | 93.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 12.4 | 176.6 | -60.2 | -177.9 | 0 | 0 | 0 | 113.8 | I213 V239 L270 L292 R294 D298 S299 L300 | I213-L296 HydrophobicContact CD1-CD2 4.43Å; V239-L296 HydrophobicContact CG2-CD2 4.11Å; L270-L296 HydrophobicContact CD1-CD1 4.32Å; L292-L296 HydrophobicContact CD1-CD1 3.75Å; L292-L296 HydrophobicContact CD1-CG 4.24Å; L292-L296 HydrophobicContact CG-CD1 4.2Å; L292-L296 PolarHBondContact O-N 2.82Å; R294-L296 VanDerWaalsContact C-N 3.32Å; R294-L296 PolarHBondContact O-N 3.03Å; L296-D298 PolarHBondContact O-N 2.91Å; L296-S299 WeakPolarHBondContact O-CA 3.36Å; L296-S299 WeakPolarHBondContact O-CB 3.33Å; L296-S299 PolarHBondContact O-N 2.98Å; L296-L300 PolarHBondContact O-N 2.92Å |
| 297 | Q | 92.4 | Very high | 92.4 | Very high | 55 Ų | 55 | 29 Ų | 29 | 26% | 0.257 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -47.5 | -179.2 | 179.7 | 171.5 | -65.2 | 0 | 0 | 112.1 | Y287 T293 R294 S299 L300 | Y287-Q297 VanDerWaalsContact CB-OE1 3.28Å; Y287-Q297 HydrophobicContact CD1-CB 3.97Å; Y287-Q297 HydrophobicContact CD1-CG 3.86Å; Y287-Q297 HydrophobicContact CD2-CG 3.71Å; Y287-Q297 HydrophobicContact CE1-CB 4.37Å; Y287-Q297 HydrophobicContact CE1-CG 4.05Å; Y287-Q297 HydrophobicContact CE2-CG 3.88Å; Y287-Q297 HydrophobicContact CG-CB 4.11Å; Y287-Q297 HydrophobicContact CG-CG 3.7Å; T293-Q297 PolarHBondContact O-N 3.37Å; R294-Q297 VanDerWaalsContact O-CB 3.22Å; R294-Q297 WeakPolarHBondContact O-CB 3.43Å; R294-Q297 PolarHBondContact O-N 2.95Å; Q297-S299 PolarHBondContact O-N 2.82Å; Q297-L300 PolarHBondContact O-N 2.83Å |
| 298 | D | 90.4 | Very high | 92.6 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.6 | 178.1 | -62.3 | -48.1 | 0 | 0 | 0 | 112.8 | L296 G302 N303 T304 | L296-D298 PolarHBondContact O-N 2.91Å; D298-G302 CarbonylContact O-C 3.52Å; D298-G302 VanDerWaalsContact O-C 3.24Å; D298-G302 VanDerWaalsContact O-CA 3.24Å; D298-G302 WeakPolarHBondContact O-CA 3.42Å; D298-G302 PolarHBondContact O-N 2.89Å; D298-N303 PolarHBondContact O-N 2.88Å; D298-T304 VanDerWaalsContact C-OG1 3.29Å; D298-T304 VanDerWaalsContact O-CB 3.24Å; D298-T304 WeakPolarHBondContact O-CB 3.38Å; D298-T304 PolarHBondContact O-OG1 2.83Å |
| 299 | S | 93.4 | Very high | 93 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -22 | 179.9 | -46.8 | 0 | 0 | 0 | 0 | 113.4 | T86 L296 Q297 T306 N337 | T86-S299 PolarHBondContact OG1-OG 2.85Å; T86-S299 VanDerWaalsContact OG1-OG 3.12Å; L296-S299 WeakPolarHBondContact O-CA 3.36Å; L296-S299 WeakPolarHBondContact O-CB 3.33Å; L296-S299 PolarHBondContact O-N 2.98Å; Q297-S299 PolarHBondContact O-N 2.82Å; S299-T306 WeakPolarHBondContact O-CB 3.28Å; S299-T306 PolarHBondContact O-OG1 2.86Å; S299-N337 PolarHBondContact O-ND2 2.89Å |
| 300 | L | 92.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -126.6 | 91.5 | -173.9 | -62.6 | 176.2 | 0 | 0 | 0 | 110 | F88 L270 V273 I274 L277 Y287 L296 Q297 I335 | F88-L300 HydrophobicContact CE1-CD2 4.31Å; F88-L300 HydrophobicContact CZ-CD2 4.48Å; L270-L300 HydrophobicContact CD1-CD1 3.57Å; L270-L300 HydrophobicContact CG-CD1 4.48Å; V273-L300 HydrophobicContact CG1-CB 4.48Å; V273-L300 HydrophobicContact CG1-CD1 4.3Å; I274-L300 HydrophobicContact CG1-CD1 4.37Å; L277-L300 HydrophobicContact CD1-CB 4.06Å; L277-L300 WeakPolarHBondContact CD1-O 3.45Å; Y287-L300 PolarHBondContact OH-O 3.18Å; L296-L300 PolarHBondContact O-N 2.92Å; Q297-L300 PolarHBondContact O-N 2.83Å; L300-I335 HydrophobicContact CD2-CD1 4.04Å |
| 301 | G | 87.1 | Confident | 93.7 | Very high | 26 Ų | 26 | 15.9 Ų | 15.9 | 27% | 0.268 | 9% | 0.087 | S | C | . | . | S | Bend | trans | 92 | -6.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N337 | G301-N337 WeakPolarHBondContact CA-OD1 3.38Å; G301-N337 PolarHBondContact N-OD1 3.39Å |
| 302 | G | 89.8 | Confident | 94 | Very high | 19 Ų | 19 | 14.8 Ų | 14.8 | 20% | 0.196 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -100.4 | -156.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D298 T304 R338 | D298-G302 CarbonylContact O-C 3.52Å; D298-G302 VanDerWaalsContact O-C 3.24Å; D298-G302 VanDerWaalsContact O-CA 3.24Å; D298-G302 WeakPolarHBondContact O-CA 3.42Å; D298-G302 PolarHBondContact O-N 2.89Å; G302-T304 PolarHBondContact O-N 2.78Å; G302-R338 PolarHBondContact O-N 3.13Å |
| 303 | N | 91.6 | Very high | 94 | Very high | 44 Ų | 44 | 14.8 Ų | 14.8 | 24% | 0.235 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -86 | 72 | 179 | 177 | 25.5 | 0 | 0 | 0 | 111.4 | N84 D298 P339 R340 N342 | N84-N303 VanDerWaalsContact CB-O 3.29Å; N84-N303 WeakPolarHBondContact CB-O 3.44Å; N84-N303 PolarHBondContact ND2-O 3.18Å; D298-N303 PolarHBondContact O-N 2.88Å; N303-P339 WeakPolarHBondContact OD1-CA 3.24Å; N303-R340 PolarHBondContact OD1-N 3.14Å; N303-N342 PolarHBondContact ND2-OD1 3.49Å |
| 304 | T | 93.8 | Very high | 94 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -153.8 | 141.6 | 177.5 | -58 | 0 | 0 | 0 | 0 | 111.9 | N84 T86 D298 G302 T306 N337 | N84-T304 HydrophobicContact CB-CG2 4.24Å; T86-T304 WeakPolarHBondContact OG1-CG2 3.29Å; D298-T304 VanDerWaalsContact C-OG1 3.29Å; D298-T304 VanDerWaalsContact O-CB 3.24Å; D298-T304 WeakPolarHBondContact O-CB 3.38Å; D298-T304 PolarHBondContact O-OG1 2.83Å; G302-T304 PolarHBondContact O-N 2.78Å; T304-T306 WeakPolarHBondContact CG2-OG1 3.48Å; T304-N337 WeakPolarHBondContact O-CB 3.38Å; T304-N337 PolarHBondContact O-ND2 3.44Å |
| 305 | R | 95.3 | Very high | 94.1 | Very high | 45 Ų | 45 | 13.3 Ų | 13.3 | 17% | 0.17 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 113.3 | 162.2 | -71.4 | -173.7 | 173.4 | 154.5 | 10 | 108.9 | E4 L75 E81 Y83 N84 G85 T86 P339 | E4-R305 IonicContact OE2-NE 3.19Å; L75-R305 WeakPolarHBondContact CD1-O 3.41Å; L75-R305 HydrophobicContact CG-CB 4.3Å; E81-R305 IonicContact OE2-NH1 2.72Å; Y83-R305 PolarHBondContact OH-NH2 3.12Å; N84-R305 PolarHBondContact O-N 2.85Å; G85-R305 CarbonylContact C-O 3.59Å; G85-R305 WeakPolarHBondContact CA-O 3.31Å; T86-R305 PolarHBondContact N-O 3.08Å; R305-P339 HydrophobicContact CG-CB 3.73Å; R305-P339 HydrophobicContact CG-CG 4.03Å |
| 306 | T | 96.8 | Very high | 94 | Very high | 6 Ų | 6 | 14.2 Ų | 14.2 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.9 | -170.7 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | V6 K7 T86 F88 S299 T304 N337 | V6-T306 HydrophobicContact CG1-CG2 3.96Å; K7-T306 PolarHBondContact N-O 3.15Å; T86-T306 HydrophobicContact CG2-CG2 4.34Å; T86-T306 CarbonylContact O-C 3.24Å; T86-T306 WeakPolarHBondContact O-CA 3.4Å; F88-T306 HydrophobicContact CD1-CG2 3.99Å; F88-T306 HydrophobicContact CE1-CG2 3.7Å; S299-T306 WeakPolarHBondContact O-CB 3.28Å; S299-T306 PolarHBondContact O-OG1 2.86Å; T304-T306 WeakPolarHBondContact CG2-OG1 3.48Å; T306-N337 PolarHBondContact OG1-ND2 2.88Å |
| 307 | L | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 119.9 | 175.2 | 172.8 | 62.1 | 0 | 0 | 0 | 110.2 | K7 V9 I71 A72 L75 T86 V87 F88 I309 | K7-L307 HydrophobicContact CB-CD1 4.06Å; K7-L307 CarbonylContact O-C 3.53Å; K7-L307 WeakPolarHBondContact O-CA 3.28Å; V9-L307 HydrophobicContact CG1-CD1 4.25Å; V9-L307 HydrophobicContact CG2-CD1 4.21Å; I71-L307 HydrophobicContact CG1-CD1 3.81Å; I71-L307 HydrophobicContact CG1-CD2 4.46Å; I71-L307 HydrophobicContact CG2-CD1 4.23Å; I71-L307 HydrophobicContact CG2-CD2 3.96Å; A72-L307 HydrophobicContact CB-CD2 4.18Å; L75-L307 HydrophobicContact CD1-CB 3.55Å; T86-L307 PolarHBondContact O-N 3.1Å; V87-L307 WeakPolarHBondContact CA-O 3.46Å; V87-L307 HydrophobicContact CG1-CB 4.42Å; V87-L307 HydrophobicContact CG1-CD2 4Å; V87-L307 HydrophobicContact CG1-CG 4.22Å; V87-L307 HydrophobicContact CG2-CB 4.37Å; V87-L307 HydrophobicContact CG2-CD2 4.33Å; F88-L307 PolarHBondContact N-O 2.97Å; L307-I309 HydrophobicContact CD2-CG1 4.49Å; L307-I309 HydrophobicContact CG-CG1 4.27Å |
| 308 | M | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.4 | 168.8 | -179.4 | -178.4 | 178.8 | 0 | 0 | 110.3 | K7 V8 V9 F88 Y90 A310 Y328 A329 A332 | K7-M308 PolarHBondContact O-N 3.39Å; V8-M308 HydrophobicContact CG1-CB 4.29Å; V8-M308 HydrophobicContact CG1-CG 4.37Å; V8-M308 HydrophobicContact CG1-SD 4.1Å; V8-M308 HydrophobicContact CG2-CB 4.11Å; V8-M308 HydrophobicContact CG2-SD 4.47Å; V9-M308 PolarHBondContact N-O 2.93Å; F88-M308 HydrophobicContact CD1-CB 4.46Å; F88-M308 HydrophobicContact CD2-CG 4.22Å; F88-M308 HydrophobicContact CE1-CB 3.82Å; F88-M308 HydrophobicContact CE1-CG 4.31Å; F88-M308 HydrophobicContact CE2-CB 3.99Å; F88-M308 HydrophobicContact CE2-CE 4.41Å; F88-M308 HydrophobicContact CE2-CG 3.54Å; F88-M308 HydrophobicContact CE2-SD 4.06Å; F88-M308 HydrophobicContact CZ-CB 3.56Å; F88-M308 HydrophobicContact CZ-CG 3.59Å; F88-M308 HydrophobicContact CZ-SD 4.03Å; Y90-M308 HydrophobicContact CD1-CE 3.4Å; Y90-M308 VanDerWaalsContact CD1-CE 3.4Å; Y90-M308 HydrophobicContact CE1-CE 4.28Å; Y90-M308 HydrophobicContact CG-CE 3.71Å; M308-A310 HydrophobicContact CE-CB 4.09Å; M308-Y328 HydrophobicContact CE-CD1 3.73Å; M308-Y328 HydrophobicContact CE-CE1 4.24Å; M308-A329 HydrophobicContact CE-CB 4.06Å; M308-A329 HydrophobicContact SD-CB 4.3Å; M308-A332 HydrophobicContact SD-CB 3.56Å; M308-A332 VanDerWaalsContact SD-CB 3.56Å |
| 309 | I | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 101.7 | 171.5 | -54.2 | 174.1 | 0 | 0 | 0 | 108.7 | V9 L67 V87 F88 A89 Y90 T100 V113 L307 C311 | V9-I309 HydrophobicContact CG2-CB 4.37Å; V9-I309 HydrophobicContact CG2-CG1 4Å; V9-I309 HydrophobicContact CG2-CG2 4.31Å; L67-I309 HydrophobicContact CD1-CG2 4.37Å; L67-I309 HydrophobicContact CD2-CD1 3.96Å; V87-I309 HydrophobicContact CG1-CD1 3.67Å; V87-I309 HydrophobicContact CG1-CG1 4.22Å; F88-I309 PolarHBondContact O-N 2.97Å; A89-I309 WeakPolarHBondContact CA-O 3.44Å; Y90-I309 PolarHBondContact N-O 2.79Å; T100-I309 HydrophobicContact CG2-CD1 4.04Å; T100-I309 HydrophobicContact CG2-CG2 4.04Å; V113-I309 HydrophobicContact CG2-CD1 4.27Å; L307-I309 HydrophobicContact CD2-CG1 4.49Å; L307-I309 HydrophobicContact CG-CG1 4.27Å; I309-C311 PolarHBondContact O-N 2.84Å |
| 310 | A | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 105.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V9 V10 R11 M308 T325 A329 | V9-A310 PolarHBondContact O-N 2.85Å; V10-A310 CarbonylContact C-O 3.49Å; V10-A310 VanDerWaalsContact CA-O 3.31Å; V10-A310 WeakPolarHBondContact CA-O 3.32Å; V10-A310 HydrophobicContact CG1-CB 3.77Å; R11-A310 PolarHBondContact N-O 2.81Å; M308-A310 HydrophobicContact CE-CB 4.09Å; A310-T325 HydrophobicContact CB-CG2 4.07Å; A310-A329 HydrophobicContact CB-CB 3.8Å |
| 311 | C | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.4 | -177.8 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | R11 Y90 S95 K97 I309 | R11-C311 CarbonylContact O-C 3.58Å; R11-C311 WeakPolarHBondContact O-CA 3.45Å; Y90-C311 PolarHBondContact O-N 2.92Å; S95-C311 WeakPolarHBondContact CB-O 3.45Å; S95-C311 WeakPolarHBondContact OG-CB 3.45Å; K97-C311 HydrophobicContact CG-CB 4.06Å; I309-C311 PolarHBondContact O-N 2.84Å |
| 312 | L | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.8 | -170.6 | -55.5 | 172.2 | 0 | 0 | 0 | 112 | V10 R11 R13 L28 M30 T325 L326 | V10-L312 HydrophobicContact CB-CD1 4.09Å; V10-L312 HydrophobicContact CG1-CD1 4.18Å; R11-L312 PolarHBondContact O-N 2.87Å; R13-L312 PolarHBondContact N-O 3.37Å; L28-L312 HydrophobicContact CD1-CB 3.62Å; L28-L312 HydrophobicContact CD1-CD1 3.93Å; L28-L312 HydrophobicContact CD1-CG 4.37Å; M30-L312 HydrophobicContact CE-CD1 4.08Å; L312-T325 HydrophobicContact CD2-CG2 3.56Å; L312-L326 HydrophobicContact CD1-CD2 3.93Å; L312-L326 HydrophobicContact CD1-CG 4.17Å; L312-L326 HydrophobicContact CD2-CG 4.24Å |
| 313 | S | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -86.5 | 137.3 | 161.8 | 164.5 | 0 | 0 | 0 | 0 | 109.6 | E19 L28 A315 N318 S322 | E19-S313 PolarHBondContact OE1-OG 2.82Å; L28-S313 WeakPolarHBondContact CD1-O 3.16Å; S313-A315 VanDerWaalsContact C-N 3.3Å; S313-A315 PolarHBondContact OG-N 2.66Å; S313-A315 VanDerWaalsContact OG-N 3.16Å; S313-N318 PolarHBondContact OG-ND2 3.06Å; S313-S322 PolarHBondContact N-OG 3.05Å; S313-S322 PolarHBondContact O-OG 3.4Å | ||
| 314 | P | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -79.1 | -7 | 175.2 | 32.7 | -35.2 | 0 | 0 | 0 | 114.3 | R13 L15 M26 V27 | R13-P314 WeakPolarHBondContact O-CD 3.25Å; R13-P314 WeakPolarHBondContact O-CG 3.44Å; L15-P314 HydrophobicContact CD2-CG 3.86Å; L15-P314 HydrophobicContact CG-CG 4.03Å; M26-P314 CarbonylContact C-O 3.58Å; M26-P314 WeakPolarHBondContact CA-O 3.41Å; M26-P314 HydrophobicContact CE-CB 3.5Å; M26-P314 HydrophobicContact CE-CG 4.1Å; M26-P314 HydrophobicContact SD-CB 3.61Å; M26-P314 HydrophobicContact SD-CG 3.87Å; V27-P314 WeakPolarHBondContact CG2-O 3.25Å; V27-P314 PolarHBondContact N-O 3.08Å | ||
| 315 | A | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | B | Isolated β-bridge | trans | -77 | 137.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L15 E19 C24 S313 N317 N318 Y319 | L15-A315 HydrophobicContact CD2-CB 3.97Å; E19-A315 HydrophobicContact CB-CB 4.24Å; E19-A315 HydrophobicContact CG-CB 3.78Å; C24-A315 HydrophobicContact CB-CB 3.82Å; S313-A315 VanDerWaalsContact C-N 3.3Å; S313-A315 PolarHBondContact OG-N 2.66Å; S313-A315 VanDerWaalsContact OG-N 3.16Å; A315-N317 VanDerWaalsContact C-N 3.3Å; A315-N317 PolarHBondContact O-N 2.96Å; A315-N318 WeakPolarHBondContact O-CA 3.47Å; A315-N318 PolarHBondContact O-N 2.93Å; A315-Y319 PolarHBondContact O-N 3.37Å |
| 316 | D | 92.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 14.1 Ų | 14.1 | 22% | 0.219 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -47.8 | -43.8 | 171.6 | 50.1 | 14 | 0 | 0 | 0 | 114.3 | C24 K25 V27 P42 N318 Y319 | C24-D316 WeakPolarHBondContact CA-OD1 3.4Å; C24-D316 VanDerWaalsContact CB-OD1 3.26Å; C24-D316 WeakPolarHBondContact CB-OD1 3.33Å; C24-D316 PolarHBondContact SG-OD1 2.9Å; K25-D316 WeakPolarHBondContact CB-OD2 3.48Å; K25-D316 VanDerWaalsContact N-CG 3.26Å; K25-D316 PolarHBondContact N-OD1 3.13Å; K25-D316 PolarHBondContact N-OD2 3.41Å; K25-D316 PolarHBondContact O-N 3.42Å; V27-D316 HydrophobicContact CG1-CB 3.75Å; P42-D316 HydrophobicContact CB-CB 4.44Å; P42-D316 HydrophobicContact CG-CB 3.93Å; D316-N318 PolarHBondContact O-N 3.02Å; D316-N318 VanDerWaalsContact O-N 3.1Å; D316-Y319 VanDerWaalsContact O-CB 3.26Å; D316-Y319 WeakPolarHBondContact O-CB 3.44Å; D316-Y319 PolarHBondContact O-N 2.94Å |
| 317 | N | 89.8 | Confident | 93.7 | Very high | 97 Ų | 97 | 14.5 Ų | 14.5 | 52% | 0.519 | 8% | 0.075 | S | C | . | . | G | 310 helix | trans | -55.8 | -26.3 | 174.8 | 179.5 | 89.5 | 0 | 0 | 0 | 113.6 | A315 | A315-N317 VanDerWaalsContact C-N 3.3Å; A315-N317 PolarHBondContact O-N 2.96Å |
| 318 | N | 89.9 | Confident | 93.4 | Very high | 15 Ų | 15 | 14.9 Ų | 14.9 | 8% | 0.08 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -102.5 | 5.7 | -178.6 | -64.6 | -37.4 | 0 | 0 | 0 | 113.4 | E19 Q92 S313 A315 D316 E320 E321 S322 | E19-N318 PolarHBondContact OE1-ND2 2.82Å; Q92-N318 PolarHBondContact NE2-OD1 2.89Å; S313-N318 PolarHBondContact OG-ND2 3.06Å; A315-N318 WeakPolarHBondContact O-CA 3.47Å; A315-N318 PolarHBondContact O-N 2.93Å; D316-N318 PolarHBondContact O-N 3.02Å; D316-N318 VanDerWaalsContact O-N 3.1Å; N318-E320 VanDerWaalsContact C-N 3.31Å; N318-E320 PolarHBondContact O-N 3.29Å; N318-E320 VanDerWaalsContact O-N 3.15Å; N318-E321 PolarHBondContact O-N 2.88Å; N318-S322 PolarHBondContact O-N 3.06Å |
| 319 | Y | 92.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 14.9 Ų | 14.9 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -44.3 | -50.3 | -178.2 | 168.6 | -97.4 | 0 | 0 | 0 | 113.5 | I39 V40 K41 P42 K50 A315 D316 E321 S322 L323 | I39-Y319 HydrophobicContact CD1-CD2 3.57Å; I39-Y319 HydrophobicContact CD1-CE2 3.82Å; I39-Y319 HydrophobicContact CD1-CG 4.47Å; I39-Y319 HydrophobicContact CG1-CD2 3.7Å; I39-Y319 HydrophobicContact CG1-CE2 3.76Å; I39-Y319 HydrophobicContact CG2-CE2 4.47Å; V40-Y319 VanDerWaalsContact O-CD2 3.22Å; V40-Y319 WeakPolarHBondContact O-CD2 3.43Å; V40-Y319 WeakPolarHBondContact O-CE2 3.5Å; K41-Y319 VanDerWaalsContact CA-CE2 3.5Å; K41-Y319 HydrophobicContact CB-CE1 4.46Å; K41-Y319 HydrophobicContact CB-CE2 4.02Å; K41-Y319 HydrophobicContact CG-CE1 4.05Å; K41-Y319 HydrophobicContact CG-CE2 4.48Å; P42-Y319 VanDerWaalsContact CD-CG 3.46Å; P42-Y319 HydrophobicContact CG-CG 4.15Å; K50-Y319 PolarHBondContact NZ-OH 3.3Å; K50-Y319 VanDerWaalsContact NZ-OH 3.09Å; A315-Y319 PolarHBondContact O-N 3.37Å; D316-Y319 VanDerWaalsContact O-CB 3.26Å; D316-Y319 WeakPolarHBondContact O-CB 3.44Å; D316-Y319 PolarHBondContact O-N 2.94Å; Y319-E321 PolarHBondContact O-N 3.08Å; Y319-S322 PolarHBondContact O-N 3.26Å; Y319-L323 HydrophobicContact CE1-CD2 4.02Å; Y319-L323 VanDerWaalsContact O-CB 3.26Å; Y319-L323 WeakPolarHBondContact O-CB 3.2Å; Y319-L323 PolarHBondContact O-N 3.09Å |
| 320 | E | 89 | Confident | 93 | Very high | 95 Ų | 95 | 18.4 Ų | 18.4 | 44% | 0.444 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -63.2 | -37.7 | -178.4 | -59.2 | -60 | 154.3 | 0 | 0 | 113.3 | N318 S324 | N318-E320 VanDerWaalsContact C-N 3.31Å; N318-E320 PolarHBondContact O-N 3.29Å; N318-E320 VanDerWaalsContact O-N 3.15Å; E320-S324 VanDerWaalsContact O-CB 3.27Å; E320-S324 WeakPolarHBondContact O-CB 3.33Å; E320-S324 PolarHBondContact O-N 3.11Å |
| 321 | E | 89.4 | Confident | 92.7 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -76 | -38.6 | 179.9 | -49.4 | -52.4 | 140.9 | 0 | 0 | 110.8 | Q92 E245 R246 K249 N318 Y319 S324 T325 | Q92-E321 HydrophobicContact CB-CB 4.21Å; Q92-E321 HydrophobicContact CG-CB 4.03Å; Q92-E321 HydrophobicContact CG-CG 4.15Å; E245-E321 WeakPolarHBondContact CA-OE2 3.33Å; R246-E321 PolarHBondContact N-OE2 2.9Å; K249-E321 WeakPolarHBondContact CD-OE1 3.29Å; K249-E321 VanDerWaalsContact CE-OE1 3.27Å; K249-E321 WeakPolarHBondContact CE-OE1 3.43Å; K249-E321 IonicContact NZ-OE1 2.9Å; K249-E321 PolarHBondContact NZ-OE1 3.25Å; N318-E321 PolarHBondContact O-N 2.88Å; Y319-E321 PolarHBondContact O-N 3.08Å; E321-S324 PolarHBondContact O-N 3.12Å; E321-T325 VanDerWaalsContact O-CB 3.31Å; E321-T325 WeakPolarHBondContact O-CB 3.46Å; E321-T325 PolarHBondContact O-N 3.1Å; E321-T325 PolarHBondContact O-OG1 2.95Å |
| 322 | S | 93.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | 174.1 | -71 | 0 | 0 | 0 | 0 | 111.7 | S313 N318 Y319 T325 L326 | S313-S322 PolarHBondContact N-OG 3.05Å; S313-S322 PolarHBondContact O-OG 3.4Å; N318-S322 PolarHBondContact O-N 3.06Å; Y319-S322 PolarHBondContact O-N 3.26Å; S322-T325 PolarHBondContact O-N 3.05Å; S322-L326 WeakPolarHBondContact O-CB 3.42Å; S322-L326 WeakPolarHBondContact O-CD1 3.38Å; S322-L326 VanDerWaalsContact O-CG 3.26Å; S322-L326 WeakPolarHBondContact O-CG 3.39Å; S322-L326 PolarHBondContact O-N 3.43Å |
| 323 | L | 92.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 172.9 | 176.3 | 63.2 | 0 | 0 | 0 | 111.7 | I39 K50 F52 Y319 T325 L326 R327 E613 | I39-L323 HydrophobicContact CD1-CB 4.23Å; I39-L323 HydrophobicContact CG2-CD1 4.29Å; K50-L323 HydrophobicContact CD-CD1 3.67Å; K50-L323 VanDerWaalsContact NZ-CD2 3.32Å; F52-L323 HydrophobicContact CE2-CD1 4.33Å; F52-L323 HydrophobicContact CZ-CD1 4.05Å; Y319-L323 HydrophobicContact CE1-CD2 4.02Å; Y319-L323 VanDerWaalsContact O-CB 3.26Å; Y319-L323 WeakPolarHBondContact O-CB 3.2Å; Y319-L323 PolarHBondContact O-N 3.09Å; L323-T325 VanDerWaalsContact C-N 3.3Å; L323-T325 PolarHBondContact O-N 2.85Å; L323-L326 PolarHBondContact O-N 2.97Å; L323-R327 HydrophobicContact CD1-CG 4.26Å; L323-R327 WeakPolarHBondContact O-CB 3.38Å; L323-R327 WeakPolarHBondContact O-CG 3.34Å; L323-R327 PolarHBondContact O-N 2.87Å; L323-E613 WeakPolarHBondContact CD2-OE1 3.33Å |
| 324 | S | 90.9 | Very high | 92.2 | Very high | 24 Ų | 24 | 28.2 Ų | 28.2 | 17% | 0.168 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56 | -46.8 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | E320 E321 L326 R327 Y328 | E320-S324 VanDerWaalsContact O-CB 3.27Å; E320-S324 WeakPolarHBondContact O-CB 3.33Å; E320-S324 PolarHBondContact O-N 3.11Å; E321-S324 PolarHBondContact O-N 3.12Å; S324-L326 PolarHBondContact O-N 3.17Å; S324-R327 PolarHBondContact O-N 3.14Å; S324-Y328 VanDerWaalsContact O-CB 3.31Å; S324-Y328 WeakPolarHBondContact O-CB 3.4Å; S324-Y328 PolarHBondContact O-N 3.06Å |
| 325 | T | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | Y90 A310 L312 E321 S322 L323 Y328 A329 | Y90-T325 HydrophobicContact CD1-CG2 4Å; Y90-T325 HydrophobicContact CE1-CG2 4.13Å; A310-T325 HydrophobicContact CB-CG2 4.07Å; L312-T325 HydrophobicContact CD2-CG2 3.56Å; E321-T325 VanDerWaalsContact O-CB 3.31Å; E321-T325 WeakPolarHBondContact O-CB 3.46Å; E321-T325 PolarHBondContact O-N 3.1Å; E321-T325 PolarHBondContact O-OG1 2.95Å; S322-T325 PolarHBondContact O-N 3.05Å; L323-T325 VanDerWaalsContact C-N 3.3Å; L323-T325 PolarHBondContact O-N 2.85Å; T325-Y328 PolarHBondContact O-N 3.28Å; T325-A329 VanDerWaalsContact O-CB 3.26Å; T325-A329 WeakPolarHBondContact O-CB 3.48Å; T325-A329 PolarHBondContact O-N 2.89Å |
| 326 | L | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.7 | -75 | 163.7 | 0 | 0 | 0 | 112.4 | V10 L28 C37 I39 F52 F54 L312 S322 L323 S324 Y328 A329 N330 | V10-L326 HydrophobicContact CG1-CD2 3.92Å; L28-L326 HydrophobicContact CD2-CD1 4.22Å; C37-L326 HydrophobicContact CB-CD2 4.31Å; I39-L326 HydrophobicContact CB-CD1 4.03Å; I39-L326 HydrophobicContact CD1-CD1 4.13Å; I39-L326 HydrophobicContact CG2-CD1 3.91Å; F52-L326 HydrophobicContact CD1-CB 4.49Å; F52-L326 HydrophobicContact CD2-CB 3.99Å; F52-L326 HydrophobicContact CD2-CD1 4Å; F52-L326 HydrophobicContact CD2-CD2 4.13Å; F52-L326 HydrophobicContact CD2-CG 4.27Å; F52-L326 HydrophobicContact CE1-CB 4.34Å; F52-L326 HydrophobicContact CE2-CB 3.82Å; F52-L326 HydrophobicContact CE2-CD1 3.93Å; F52-L326 HydrophobicContact CE2-CG 4.37Å; F52-L326 HydrophobicContact CG-CB 4.32Å; F52-L326 HydrophobicContact CG-CD2 4.4Å; F52-L326 HydrophobicContact CZ-CB 4.01Å; F54-L326 HydrophobicContact CE2-CD2 3.6Å; F54-L326 HydrophobicContact CZ-CD2 3.83Å; L312-L326 HydrophobicContact CD1-CD2 3.93Å; L312-L326 HydrophobicContact CD1-CG 4.17Å; L312-L326 HydrophobicContact CD2-CG 4.24Å; S322-L326 WeakPolarHBondContact O-CB 3.42Å; S322-L326 WeakPolarHBondContact O-CD1 3.38Å; S322-L326 VanDerWaalsContact O-CG 3.26Å; S322-L326 WeakPolarHBondContact O-CG 3.39Å; S322-L326 PolarHBondContact O-N 3.43Å; L323-L326 PolarHBondContact O-N 2.97Å; S324-L326 PolarHBondContact O-N 3.17Å; L326-Y328 VanDerWaalsContact C-N 3.3Å; L326-Y328 PolarHBondContact O-N 2.91Å; L326-A329 PolarHBondContact O-N 3.14Å; L326-N330 VanDerWaalsContact O-CB 3.31Å; L326-N330 WeakPolarHBondContact O-CB 3.43Å; L326-N330 PolarHBondContact O-N 2.76Å |
| 327 | R | 92 | Very high | 92 | Very high | 15 Ų | 15 | 31 Ų | 31 | 6% | 0.057 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.5 | -29.3 | 176.8 | -74.4 | -178.7 | 158.4 | 178.6 | -7.7 | 113.1 | F52 L323 S324 R331 E606 E613 | F52-R327 HydrophobicContact CE1-CG 4.14Å; F52-R327 HydrophobicContact CZ-CG 4.1Å; L323-R327 HydrophobicContact CD1-CG 4.26Å; L323-R327 WeakPolarHBondContact O-CB 3.38Å; L323-R327 WeakPolarHBondContact O-CG 3.34Å; L323-R327 PolarHBondContact O-N 2.87Å; S324-R327 PolarHBondContact O-N 3.14Å; R327-R331 PolarHBondContact O-N 3.33Å; R327-R331 PolarHBondContact O-NE 3.28Å; R327-R331 VanDerWaalsContact O-NE 3.13Å; R327-E606 IonicContact CZ-OE1 3.66Å; R327-E606 IonicContact NE-OE1 2.93Å; R327-E606 IonicContact NH2-OE1 3.54Å; R327-E606 PolarHBondContact NH2-OE1 2.73Å; R327-E613 IonicContact CZ-OE1 2.97Å; R327-E613 IonicContact CZ-OE2 2.96Å; R327-E613 IonicContact NH1-OE1 2.73Å; R327-E613 PolarHBondContact NH1-OE1 2.91Å; R327-E613 IonicContact NH1-OE2 3.99Å; R327-E613 PolarHBondContact NH1-OE2 3.37Å |
| 328 | Y | 91.6 | Very high | 92 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.8 | -49.9 | 172.8 | -163.4 | -78.9 | 0 | 0 | 0 | 111 | Y90 L270 G271 I274 M308 S324 T325 L326 N330 R331 A332 | Y90-Y328 HydrophobicContact CD1-CD1 4.04Å; Y90-Y328 HydrophobicContact CD1-CE1 4.41Å; Y90-Y328 HydrophobicContact CD1-CG 4.48Å; Y90-Y328 HydrophobicContact CD2-CE1 4.26Å; Y90-Y328 AromaticContact CE1-CD1 3.65Å; Y90-Y328 HydrophobicContact CE1-CD1 3.65Å; Y90-Y328 HydrophobicContact CE1-CD2 4.21Å; Y90-Y328 HydrophobicContact CE1-CE1 4.13Å; Y90-Y328 AromaticContact CE1-CG 3.67Å; Y90-Y328 HydrophobicContact CE1-CG 3.67Å; Y90-Y328 HydrophobicContact CE2-CD1 4.3Å; Y90-Y328 AromaticContact CE2-CE1 3.95Å; Y90-Y328 HydrophobicContact CE2-CE1 3.95Å; Y90-Y328 HydrophobicContact CE2-CE2 4.24Å; Y90-Y328 AromaticContact CE2-CZ 3.92Å; Y90-Y328 HydrophobicContact CG-CE1 4.48Å; Y90-Y328 AromaticContact CZ-CD1 3.79Å; Y90-Y328 AromaticContact CZ-CD2 3.8Å; Y90-Y328 AromaticContact CZ-CE1 3.89Å; Y90-Y328 AromaticContact CZ-CE2 3.9Å; Y90-Y328 AromaticContact CZ-CG 3.73Å; Y90-Y328 AromaticContact CZ-CZ 3.94Å; Y90-Y328 VanDerWaalsContact OH-CD2 3.29Å; Y90-Y328 WeakPolarHBondContact OH-CD2 3.5Å; L270-Y328 VanDerWaalsContact CB-OH 3.27Å; L270-Y328 WeakPolarHBondContact CB-OH 3.13Å; L270-Y328 WeakPolarHBondContact CD2-OH 3.42Å; L270-Y328 WeakPolarHBondContact CG-OH 3.45Å; G271-Y328 PolarHBondContact N-OH 3.28Å; G271-Y328 VanDerWaalsContact N-OH 3.1Å; I274-Y328 HydrophobicContact CD1-CD1 4.38Å; I274-Y328 HydrophobicContact CD1-CE1 3.55Å; M308-Y328 HydrophobicContact CE-CD1 3.73Å; M308-Y328 HydrophobicContact CE-CE1 4.24Å; S324-Y328 VanDerWaalsContact O-CB 3.31Å; S324-Y328 WeakPolarHBondContact O-CB 3.4Å; S324-Y328 PolarHBondContact O-N 3.06Å; T325-Y328 PolarHBondContact O-N 3.28Å; L326-Y328 VanDerWaalsContact C-N 3.3Å; L326-Y328 PolarHBondContact O-N 2.91Å; Y328-N330 PolarHBondContact O-N 3.49Å; Y328-R331 PolarHBondContact O-N 3.06Å; Y328-A332 PolarHBondContact O-N 2.9Å |
| 329 | A | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V8 F54 M308 A310 T325 L326 R331 A332 K333 | V8-A329 HydrophobicContact CG1-CB 3.7Å; F54-A329 HydrophobicContact CE1-CB 3.62Å; F54-A329 HydrophobicContact CZ-CB 4.02Å; M308-A329 HydrophobicContact CE-CB 4.06Å; M308-A329 HydrophobicContact SD-CB 4.3Å; A310-A329 HydrophobicContact CB-CB 3.8Å; T325-A329 VanDerWaalsContact O-CB 3.26Å; T325-A329 WeakPolarHBondContact O-CB 3.48Å; T325-A329 PolarHBondContact O-N 2.89Å; L326-A329 PolarHBondContact O-N 3.14Å; A329-R331 VanDerWaalsContact C-N 3.32Å; A329-R331 PolarHBondContact O-N 2.91Å; A329-A332 WeakPolarHBondContact O-CB 3.41Å; A329-A332 PolarHBondContact O-N 3.32Å; A329-A332 VanDerWaalsContact O-N 3.14Å; A329-K333 PolarHBondContact O-N 2.93Å; A329-K333 VanDerWaalsContact O-N 3.13Å |
| 330 | N | 92.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 40.8 Ų | 40.8 | 39% | 0.39 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.6 | -34.3 | 179.3 | -167.2 | 55.6 | 0 | 0 | 0 | 112.6 | F52 F54 L326 Y328 | F52-N330 HydrophobicContact CD1-CB 4.04Å; F52-N330 HydrophobicContact CE1-CB 4.5Å; F54-N330 HydrophobicContact CE1-CB 4.49Å; L326-N330 VanDerWaalsContact O-CB 3.31Å; L326-N330 WeakPolarHBondContact O-CB 3.43Å; L326-N330 PolarHBondContact O-N 2.76Å; Y328-N330 PolarHBondContact O-N 3.49Å |
| 331 | R | 91 | Very high | 92 | Very high | 93 Ų | 93 | 38.2 Ų | 38.2 | 35% | 0.351 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66 | -50 | 168.9 | -76.7 | 179 | -77.9 | 178.9 | -9.7 | 110.9 | I274 S275 V278 R327 Y328 A329 K333 S334 | I274-R331 HydrophobicContact CG2-CB 3.89Å; S275-R331 PolarHBondContact OG-NH1 3.33Å; V278-R331 WeakPolarHBondContact CG2-O 3.41Å; R327-R331 PolarHBondContact O-N 3.33Å; R327-R331 PolarHBondContact O-NE 3.28Å; R327-R331 VanDerWaalsContact O-NE 3.13Å; Y328-R331 PolarHBondContact O-N 3.06Å; A329-R331 VanDerWaalsContact C-N 3.32Å; A329-R331 PolarHBondContact O-N 2.91Å; R331-K333 PolarHBondContact O-N 2.78Å; R331-K333 VanDerWaalsContact O-N 3.13Å; R331-S334 PolarHBondContact O-N 2.9Å |
| 332 | A | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.1 | -36.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V8 I274 M308 Y328 A329 S334 I335 | V8-A332 HydrophobicContact CG2-CB 4.01Å; I274-A332 HydrophobicContact CD1-CB 4.09Å; I274-A332 HydrophobicContact CG2-CB 4.47Å; M308-A332 HydrophobicContact SD-CB 3.56Å; M308-A332 VanDerWaalsContact SD-CB 3.56Å; Y328-A332 PolarHBondContact O-N 2.9Å; A329-A332 WeakPolarHBondContact O-CB 3.41Å; A329-A332 PolarHBondContact O-N 3.32Å; A329-A332 VanDerWaalsContact O-N 3.14Å; A332-S334 PolarHBondContact O-N 3.31Å; A332-S334 VanDerWaalsContact O-N 3.11Å; A332-I335 HydrophobicContact CB-CD1 4.41Å; A332-I335 WeakPolarHBondContact O-CB 3.31Å; A332-I335 VanDerWaalsContact O-CG1 3.3Å; A332-I335 WeakPolarHBondContact O-CG1 3.43Å; A332-I335 PolarHBondContact O-N 2.97Å; A332-I335 VanDerWaalsContact O-N 3.09Å |
| 333 | K | 92.7 | Very high | 91.5 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.7 | 177.5 | -160.9 | -174.1 | -168.3 | -176.2 | 0 | 114.1 | V8 T53 F54 D55 A329 R331 | V8-K333 HydrophobicContact CB-CB 4.29Å; V8-K333 HydrophobicContact CB-CG 4.49Å; V8-K333 HydrophobicContact CG2-CB 3.87Å; V8-K333 HydrophobicContact CG2-CG 4.37Å; T53-K333 PolarHBondContact O-NZ 2.79Å; F54-K333 PolarHBondContact O-NZ 3.35Å; D55-K333 WeakPolarHBondContact OD1-CE 3.31Å; D55-K333 IonicContact OD1-NZ 2.83Å; D55-K333 PolarHBondContact OD1-NZ 3.03Å; D55-K333 WeakPolarHBondContact OD2-CE 3.48Å; A329-K333 PolarHBondContact O-N 2.93Å; A329-K333 VanDerWaalsContact O-N 3.13Å; R331-K333 PolarHBondContact O-N 2.78Å; R331-K333 VanDerWaalsContact O-N 3.13Å |
| 334 | S | 90.3 | Very high | 90.8 | Very high | 67 Ų | 67 | 44 Ų | 44 | 47% | 0.469 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5.4 | -177.9 | -58.7 | 0 | 0 | 0 | 0 | 114 | R331 A332 | R331-S334 PolarHBondContact O-N 2.9Å; A332-S334 PolarHBondContact O-N 3.31Å; A332-S334 VanDerWaalsContact O-N 3.11Å |
| 335 | I | 92.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | trans | -69.4 | 132.9 | 177.4 | -58.1 | 167.8 | 0 | 0 | 0 | 109.7 | S5 V6 I274 L277 V278 L300 A332 | S5-I335 CarbonylContact C-O 3.57Å; S5-I335 VanDerWaalsContact CA-O 3.28Å; S5-I335 WeakPolarHBondContact CA-O 3.3Å; V6-I335 HydrophobicContact CB-CB 4.23Å; V6-I335 HydrophobicContact CG2-CB 3.71Å; V6-I335 HydrophobicContact CG2-CD1 4.48Å; V6-I335 HydrophobicContact CG2-CG2 3.76Å; V6-I335 PolarHBondContact N-O 2.91Å; I274-I335 HydrophobicContact CB-CD1 4.2Å; I274-I335 HydrophobicContact CD1-CD1 4.1Å; I274-I335 HydrophobicContact CG1-CD1 3.69Å; I274-I335 HydrophobicContact CG2-CD1 4.02Å; I274-I335 HydrophobicContact CG2-CG1 4.5Å; L277-I335 HydrophobicContact CB-CG1 4.32Å; L277-I335 HydrophobicContact CD1-CD1 4.39Å; L277-I335 HydrophobicContact CD1-CG1 4.49Å; L277-I335 HydrophobicContact CD1-CG2 4.04Å; V278-I335 HydrophobicContact CG2-CG1 3.95Å; L300-I335 HydrophobicContact CD2-CD1 4.04Å; A332-I335 HydrophobicContact CB-CD1 4.41Å; A332-I335 WeakPolarHBondContact O-CB 3.31Å; A332-I335 VanDerWaalsContact O-CG1 3.3Å; A332-I335 WeakPolarHBondContact O-CG1 3.43Å; A332-I335 PolarHBondContact O-N 2.97Å; A332-I335 VanDerWaalsContact O-N 3.09Å | ||
| 336 | Q | 91 | Very high | 88.3 | Confident | 97 Ų | 97 | 54.5 Ų | 54.5 | 45% | 0.453 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 111.3 | 178.8 | -65.7 | -66.8 | -45.4 | 0 | 0 | 110.7 | S3 | S3-Q336 PolarHBondContact OG-OE1 2.66Å |
| 337 | N | 92.6 | Very high | 86.9 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 167.4 | 172.3 | -72.2 | 16 | 0 | 0 | 0 | 110.8 | S3 E4 V6 S299 G301 T304 T306 P339 | S3-N337 VanDerWaalsContact CA-O 3.27Å; S3-N337 WeakPolarHBondContact CA-O 3.07Å; S3-N337 WeakPolarHBondContact CB-O 3.49Å; E4-N337 PolarHBondContact N-O 3.33Å; E4-N337 PolarHBondContact O-N 3.09Å; V6-N337 WeakPolarHBondContact CG2-OD1 3.24Å; S299-N337 PolarHBondContact O-ND2 2.89Å; G301-N337 WeakPolarHBondContact CA-OD1 3.38Å; G301-N337 PolarHBondContact N-OD1 3.39Å; T304-N337 WeakPolarHBondContact O-CB 3.38Å; T304-N337 PolarHBondContact O-ND2 3.44Å; T306-N337 PolarHBondContact OG1-ND2 2.88Å; N337-P339 VanDerWaalsContact C-CD 3.47Å |
| 338 | R | 90.9 | Very high | 85.8 | Confident | 172 Ų | 172 | 56.1 Ų | 56.1 | 65% | 0.649 | 27% | 0.272 | S | S | * | . | trans | -129.5 | 63 | 177.5 | -64.9 | -179.8 | 177.3 | -178.8 | -1.9 | 111.4 | G302 | G302-R338 PolarHBondContact O-N 3.13Š| ||
| 339 | P | 91 | Very high | 84.8 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | trans | -63.8 | 136.1 | -177.6 | 26.5 | -33.9 | 0 | 0 | 0 | 112.4 | E4 Y83 N303 R305 N337 | E4-P339 HydrophobicContact CB-CG 3.92Å; E4-P339 WeakPolarHBondContact OE2-CG 3.25Å; Y83-P339 HydrophobicContact CD1-CB 4.03Å; Y83-P339 HydrophobicContact CE1-CB 4.34Å; N303-P339 WeakPolarHBondContact OD1-CA 3.24Å; R305-P339 HydrophobicContact CG-CB 3.73Å; R305-P339 HydrophobicContact CG-CG 4.03Å; N337-P339 VanDerWaalsContact C-CD 3.47Å | ||
| 340 | R | 89.4 | Confident | 83.3 | Confident | 131 Ų | 131 | 63.1 Ų | 63.1 | 49% | 0.494 | 31% | 0.309 | S | S | . | . | trans | -132.4 | 158.9 | 175.4 | -58.4 | -179.9 | -176.5 | -167.1 | -2.8 | 109 | M1 Y83 N303 | M1-R340 PolarHBondContact SD-NH2 3.11Å; Y83-R340 WeakPolarHBondContact CD1-O 3.36Å; Y83-R340 VanDerWaalsContact CE1-C 3.44Å; N303-R340 PolarHBondContact OD1-N 3.14Å | ||
| 341 | I | 89.9 | Confident | 82.4 | Confident | 41 Ų | 41 | 63 Ų | 63 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 135.1 | 163.6 | -60.3 | 177.3 | 0 | 0 | 0 | 106.7 | G82 Y83 R232 E343 | G82-I341 WeakPolarHBondContact O-CA 3.26Å; Y83-I341 HydrophobicContact CD1-CG1 4.43Å; Y83-I341 HydrophobicContact CD2-CG1 3.91Å; Y83-I341 HydrophobicContact CE1-CG1 4.06Å; Y83-I341 HydrophobicContact CE2-CD1 4.05Å; Y83-I341 HydrophobicContact CE2-CG1 3.49Å; Y83-I341 VanDerWaalsContact CE2-CG1 3.49Å; Y83-I341 HydrophobicContact CG-CG1 4.36Å; R232-I341 HydrophobicContact CG-CG2 4.27Å; I341-E343 HydrophobicContact CG2-CB 4.5Å; I341-E343 WeakPolarHBondContact CG2-OE1 3.48Å |
| 342 | N | 87.9 | Confident | 81.4 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.8 | 171.6 | -33.6 | -84 | 0 | 0 | 0 | 108.5 | G82 N84 R232 A233 N303 | G82-N342 PolarHBondContact O-N 2.98Å; G82-N342 PolarHBondContact O-ND2 2.97Å; N84-N342 VanDerWaalsContact CG-ND2 3.33Å; N84-N342 PolarHBondContact ND2-ND2 3.33Å; N84-N342 PolarHBondContact ND2-OD1 2.56Å; N84-N342 PolarHBondContact OD1-ND2 3.31Å; R232-N342 CarbonylContact C-O 3.18Å; R232-N342 WeakPolarHBondContact CA-O 3.33Å; R232-N342 WeakPolarHBondContact CB-O 3.49Å; A233-N342 HydrophobicContact CB-CB 4.44Å; A233-N342 PolarHBondContact N-O 3.13Å; A233-N342 WeakPolarHBondContact O-CB 3.39Å; A233-N342 PolarHBondContact O-ND2 2.99Å; N303-N342 PolarHBondContact ND2-OD1 3.49Å |
| 343 | E | 85.1 | Confident | 80.1 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 167.1 | -167.6 | 63.1 | -154.2 | -5.9 | 0 | 0 | 110.6 | I231 R232 I341 A348 R351 | I231-E343 VanDerWaalsContact O-CA 3.29Å; I231-E343 WeakPolarHBondContact O-CA 3.14Å; R232-E343 HydrophobicContact CG-CB 4.09Å; I341-E343 HydrophobicContact CG2-CB 4.5Å; I341-E343 WeakPolarHBondContact CG2-OE1 3.48Å; E343-A348 HydrophobicContact CG-CB 3.85Å; E343-A348 WeakPolarHBondContact OE2-CA 3.31Å; E343-A348 WeakPolarHBondContact OE2-CB 3.39Å; E343-R351 VanDerWaalsContact CD-NH1 3.27Å; E343-R351 VanDerWaalsContact CD-NH2 3.33Å; E343-R351 IonicContact OE1-CZ 2.61Å; E343-R351 VanDerWaalsContact OE1-CZ 3.28Å; E343-R351 IonicContact OE1-NH1 2.67Å; E343-R351 PolarHBondContact OE1-NH1 3.39Å; E343-R351 IonicContact OE1-NH2 3.28Å; E343-R351 PolarHBondContact OE1-NH2 2.84Å; E343-R351 IonicContact OE2-CZ 3.86Å; E343-R351 IonicContact OE2-NH1 3.51Å; E343-R351 PolarHBondContact OE2-NH1 3.03Å; E343-R351 IonicContact OE2-NH2 3.55Å |
| 344 | D | 77.9 | Confident | 78.6 | Confident | 48 Ų | 48 | 74 Ų | 74 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | trans | -56.5 | 130 | 174.4 | -171.6 | -49.7 | 0 | 0 | 0 | 109.5 | I231 K346 D347 A348 | I231-D344 PolarHBondContact O-N 3.37Å; D344-K346 PolarHBondContact O-N 2.79Å; D344-K346 VanDerWaalsContact OD1-CB 3.28Å; D344-K346 WeakPolarHBondContact OD1-CB 3.39Å; D344-K346 WeakPolarHBondContact OD1-CG 3.38Å; D344-K346 PolarHBondContact OD1-N 3.22Å; D344-K346 IonicContact OD1-NZ 3.34Å; D344-K346 PolarHBondContact OD1-NZ 3.36Å; D344-K346 IonicContact OD2-NZ 3.61Å; D344-K346 PolarHBondContact OD2-NZ 2.85Å; D344-D347 PolarHBondContact O-N 3.49Å; D344-A348 PolarHBondContact O-N 3Å | ||
| 345 | P | 69.1 | Low | 77.5 | Confident | 101 Ų | 101 | 76.7 Ų | 76.7 | 66% | 0.656 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57 | -22.7 | -179.3 | 21.3 | -33.6 | 0 | 0 | 0 | 113.7 | L349 | P345-L349 WeakPolarHBondContact O-CB 3.48Å; P345-L349 PolarHBondContact O-N 3.35Å; P345-L349 VanDerWaalsContact O-N 3.12Å |
| 346 | K | 64.6 | Low | 76.4 | Confident | 143 Ų | 143 | 80.2 Ų | 80.2 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.6 | -45 | 171.2 | -59.5 | 175.8 | -145.6 | 80.8 | 0 | 111.7 | D344 L350 | D344-K346 PolarHBondContact O-N 2.79Å; D344-K346 VanDerWaalsContact OD1-CB 3.28Å; D344-K346 WeakPolarHBondContact OD1-CB 3.39Å; D344-K346 WeakPolarHBondContact OD1-CG 3.38Å; D344-K346 PolarHBondContact OD1-N 3.22Å; D344-K346 IonicContact OD1-NZ 3.34Å; D344-K346 PolarHBondContact OD1-NZ 3.36Å; D344-K346 IonicContact OD2-NZ 3.61Å; D344-K346 PolarHBondContact OD2-NZ 2.85Å; K346-L350 VanDerWaalsContact O-CB 3.29Å; K346-L350 WeakPolarHBondContact O-CB 3.29Å; K346-L350 PolarHBondContact O-N 3.12Å |
| 347 | D | 66.2 | Low | 75.2 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 10% | 0.096 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.4 | -36.2 | -179.1 | -73.3 | -20.2 | 0 | 0 | 0 | 111.8 | H230 D344 L350 R351 | H230-D347 WeakPolarHBondContact CA-OD2 3.36Å; H230-D347 IonicContact CE1-OD1 3.59Å; H230-D347 PolarHBondContact CE1-OD1 2.81Å; H230-D347 IonicContact CE1-OD2 3.4Å; H230-D347 IonicContact CG-OD2 3.01Å; H230-D347 IonicContact ND1-OD1 2.84Å; H230-D347 PolarHBondContact ND1-OD1 3.19Å; H230-D347 IonicContact ND1-OD2 2.65Å; H230-D347 PolarHBondContact ND1-OD2 3.5Å; D344-D347 PolarHBondContact O-N 3.49Å; D347-L350 PolarHBondContact O-N 3.49Å; D347-R351 PolarHBondContact O-N 2.95Å |
| 348 | A | 67.7 | Low | 73.8 | Confident | 32 Ų | 32 | 87.1 Ų | 87.1 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58 | -52 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E343 D344 R351 E352 | E343-A348 HydrophobicContact CG-CB 3.85Å; E343-A348 WeakPolarHBondContact OE2-CA 3.31Å; E343-A348 WeakPolarHBondContact OE2-CB 3.39Å; D344-A348 PolarHBondContact O-N 3Å; A348-R351 PolarHBondContact O-N 2.85Å; A348-E352 PolarHBondContact O-N 2.84Å |
| 349 | L | 69.8 | Low | 72.6 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 41% | 0.408 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 179.6 | -173.1 | 65.4 | 0 | 0 | 0 | 111.8 | P345 R351 E352 Y353 | P345-L349 WeakPolarHBondContact O-CB 3.48Å; P345-L349 PolarHBondContact O-N 3.35Å; P345-L349 VanDerWaalsContact O-N 3.12Å; L349-R351 VanDerWaalsContact C-N 3.29Å; L349-R351 PolarHBondContact O-N 2.66Å; L349-E352 PolarHBondContact O-N 2.91Å; L349-Y353 HydrophobicContact CD1-CD1 4.49Å; L349-Y353 HydrophobicContact CD1-CE1 3.9Å; L349-Y353 HydrophobicContact CD1-CE2 3.98Å; L349-Y353 HydrophobicContact CD2-CE2 4Å; L349-Y353 HydrophobicContact CG-CD2 4.14Å; L349-Y353 HydrophobicContact CG-CE1 4.47Å; L349-Y353 HydrophobicContact CG-CE2 3.66Å; L349-Y353 WeakPolarHBondContact O-CB 3.44Å; L349-Y353 PolarHBondContact O-N 3.45Å |
| 350 | L | 65.3 | Low | 71.1 | Confident | 78 Ų | 78 | 86.4 Ų | 86.4 | 41% | 0.408 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.1 | -167.7 | 75.1 | 0 | 0 | 0 | 111.3 | K346 D347 Q354 | K346-L350 VanDerWaalsContact O-CB 3.29Å; K346-L350 WeakPolarHBondContact O-CB 3.29Å; K346-L350 PolarHBondContact O-N 3.12Å; D347-L350 PolarHBondContact O-N 3.49Å; L350-Q354 WeakPolarHBondContact O-CB 3.23Å; L350-Q354 VanDerWaalsContact O-CG 3.26Å; L350-Q354 WeakPolarHBondContact O-CG 3.41Å; L350-Q354 PolarHBondContact O-N 2.84Å |
| 351 | R | 71.9 | Confident | 69.6 | Low | 71 Ų | 71 | 88.4 Ų | 88.4 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.4 | -42.3 | 177.3 | -164.2 | -174.6 | -46.1 | 106.3 | 13.6 | 113 | E343 D347 A348 L349 Y353 Q354 E355 | E343-R351 VanDerWaalsContact CD-NH1 3.27Å; E343-R351 VanDerWaalsContact CD-NH2 3.33Å; E343-R351 IonicContact OE1-CZ 2.61Å; E343-R351 VanDerWaalsContact OE1-CZ 3.28Å; E343-R351 IonicContact OE1-NH1 2.67Å; E343-R351 PolarHBondContact OE1-NH1 3.39Å; E343-R351 IonicContact OE1-NH2 3.28Å; E343-R351 PolarHBondContact OE1-NH2 2.84Å; E343-R351 IonicContact OE2-CZ 3.86Å; E343-R351 IonicContact OE2-NH1 3.51Å; E343-R351 PolarHBondContact OE2-NH1 3.03Å; E343-R351 IonicContact OE2-NH2 3.55Å; D347-R351 PolarHBondContact O-N 2.95Å; A348-R351 PolarHBondContact O-N 2.85Å; L349-R351 VanDerWaalsContact C-N 3.29Å; L349-R351 PolarHBondContact O-N 2.66Å; R351-Y353 VanDerWaalsContact C-N 3.25Å; R351-Y353 PolarHBondContact O-N 3.12Å; R351-Q354 CarbonylContact O-C 3.6Å; R351-Q354 PolarHBondContact O-N 3.06Å; R351-E355 WeakPolarHBondContact CD-OE1 3.36Å; R351-E355 HydrophobicContact CG-CG 4.33Å; R351-E355 PolarHBondContact O-N 2.98Å |
| 352 | E | 70.7 | Confident | 68.1 | Low | 116 Ų | 116 | 87.6 Ų | 87.6 | 54% | 0.542 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 176.2 | -174.3 | 161.5 | -150.7 | 0 | 0 | 110.6 | A348 L349 E356 | A348-E352 PolarHBondContact O-N 2.84Å; L349-E352 PolarHBondContact O-N 2.91Å; E352-E356 WeakPolarHBondContact O-CB 3.38Å; E352-E356 PolarHBondContact O-N 2.88Å |
| 353 | Y | 65.3 | Low | 66.9 | Low | 141 Ų | 141 | 91.3 Ų | 91.3 | 55% | 0.553 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 170.8 | -66.9 | -20.7 | 0 | 0 | 0 | 113.4 | L349 R351 I357 | L349-Y353 HydrophobicContact CD1-CD1 4.49Å; L349-Y353 HydrophobicContact CD1-CE1 3.9Å; L349-Y353 HydrophobicContact CD1-CE2 3.98Å; L349-Y353 HydrophobicContact CD2-CE2 4Å; L349-Y353 HydrophobicContact CG-CD2 4.14Å; L349-Y353 HydrophobicContact CG-CE1 4.47Å; L349-Y353 HydrophobicContact CG-CE2 3.66Å; L349-Y353 WeakPolarHBondContact O-CB 3.44Å; L349-Y353 PolarHBondContact O-N 3.45Å; R351-Y353 VanDerWaalsContact C-N 3.25Å; R351-Y353 PolarHBondContact O-N 3.12Å; Y353-I357 WeakPolarHBondContact O-CB 3.41Å; Y353-I357 WeakPolarHBondContact O-CD1 3.47Å; Y353-I357 WeakPolarHBondContact O-CG1 3.37Å; Y353-I357 PolarHBondContact O-N 2.94Å |
| 354 | Q | 62.6 | Low | 65.3 | Low | 115 Ų | 115 | 95.2 Ų | 95.2 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.8 | -75.9 | 175.4 | 18.3 | 0 | 0 | 112.8 | L350 R351 K358 | L350-Q354 WeakPolarHBondContact O-CB 3.23Å; L350-Q354 VanDerWaalsContact O-CG 3.26Å; L350-Q354 WeakPolarHBondContact O-CG 3.41Å; L350-Q354 PolarHBondContact O-N 2.84Å; R351-Q354 CarbonylContact O-C 3.6Å; R351-Q354 PolarHBondContact O-N 3.06Å; Q354-K358 VanDerWaalsContact O-CB 3.26Å; Q354-K358 WeakPolarHBondContact O-CB 3.49Å; Q354-K358 PolarHBondContact O-N 2.88Å |
| 355 | E | 67.6 | Low | 64.3 | Low | 123 Ų | 123 | 97.3 Ų | 97.3 | 58% | 0.575 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.1 | -43.9 | 177.2 | -75.5 | -176.4 | -159.8 | 0 | 0 | 111.5 | R351 K358 K359 | R351-E355 WeakPolarHBondContact CD-OE1 3.36Å; R351-E355 HydrophobicContact CG-CG 4.33Å; R351-E355 PolarHBondContact O-N 2.98Å; E355-K358 WeakPolarHBondContact O-CB 3.4Å; E355-K358 PolarHBondContact O-N 2.87Å; E355-K359 VanDerWaalsContact O-CB 3.31Å; E355-K359 WeakPolarHBondContact O-CB 3.44Å; E355-K359 PolarHBondContact O-N 2.84Å |
| 356 | E | 67.9 | Low | 63.1 | Low | 75 Ų | 75 | 95.5 Ų | 95.5 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 176.1 | -166.9 | 58.2 | -146.2 | 0 | 0 | 111.4 | E352 K358 K359 L360 | E352-E356 WeakPolarHBondContact O-CB 3.38Å; E352-E356 PolarHBondContact O-N 2.88Å; E356-K358 VanDerWaalsContact C-N 3.32Å; E356-K358 PolarHBondContact O-N 3.25Å; E356-K359 PolarHBondContact O-N 2.79Å; E356-K359 IonicContact OE1-NZ 2.65Å; E356-K359 PolarHBondContact OE1-NZ 2.81Å; E356-K359 IonicContact OE2-NZ 3.78Å; E356-K359 PolarHBondContact OE2-NZ 3.26Å; E356-L360 HydrophobicContact CG-CD1 4.02Å; E356-L360 HydrophobicContact CG-CG 4.28Å; E356-L360 WeakPolarHBondContact O-CB 3.3Å; E356-L360 VanDerWaalsContact O-CG 3.23Å; E356-L360 WeakPolarHBondContact O-CG 3.32Å; E356-L360 PolarHBondContact O-N 2.92Å |
| 357 | I | 66.6 | Low | 61.9 | Low | 84 Ų | 84 | 95.5 Ų | 95.5 | 43% | 0.431 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 170.8 | -73.8 | 165.7 | 0 | 0 | 0 | 110.9 | Y353 R361 | Y353-I357 WeakPolarHBondContact O-CB 3.41Å; Y353-I357 WeakPolarHBondContact O-CD1 3.47Å; Y353-I357 WeakPolarHBondContact O-CG1 3.37Å; Y353-I357 PolarHBondContact O-N 2.94Å; I357-R361 HydrophobicContact CG2-CG 4.41Å; I357-R361 VanDerWaalsContact O-CB 3.26Å; I357-R361 WeakPolarHBondContact O-CB 3.49Å; I357-R361 WeakPolarHBondContact O-CG 3.49Å; I357-R361 PolarHBondContact O-N 3.45Å |
| 358 | K | 62 | Low | 60.7 | Low | 160 Ų | 160 | 100.3 Ų | 100.3 | 70% | 0.696 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 176.8 | -178.2 | -178.8 | 179.2 | -177.7 | 0 | 111.6 | Q354 E355 E356 A362 | Q354-K358 VanDerWaalsContact O-CB 3.26Å; Q354-K358 WeakPolarHBondContact O-CB 3.49Å; Q354-K358 PolarHBondContact O-N 2.88Å; E355-K358 WeakPolarHBondContact O-CB 3.4Å; E355-K358 PolarHBondContact O-N 2.87Å; E356-K358 VanDerWaalsContact C-N 3.32Å; E356-K358 PolarHBondContact O-N 3.25Å; K358-A362 WeakPolarHBondContact O-CB 3.34Å; K358-A362 PolarHBondContact O-N 3.43Å |
| 359 | K | 66.2 | Low | 59.4 | Low | 96 Ų | 96 | 104.5 Ų | 104.5 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -50.2 | 176.3 | 170.1 | 164.9 | 157.8 | -89.7 | 0 | 111.8 | E355 E356 R361 A362 L363 | E355-K359 VanDerWaalsContact O-CB 3.31Å; E355-K359 WeakPolarHBondContact O-CB 3.44Å; E355-K359 PolarHBondContact O-N 2.84Å; E356-K359 PolarHBondContact O-N 2.79Å; E356-K359 IonicContact OE1-NZ 2.65Å; E356-K359 PolarHBondContact OE1-NZ 2.81Å; E356-K359 IonicContact OE2-NZ 3.78Å; E356-K359 PolarHBondContact OE2-NZ 3.26Å; K359-R361 PolarHBondContact O-N 2.93Å; K359-A362 WeakPolarHBondContact O-CB 3.08Å; K359-A362 PolarHBondContact O-N 2.96Å; K359-A362 VanDerWaalsContact O-N 3.13Å; K359-L363 HydrophobicContact CG-CD1 4.11Å; K359-L363 WeakPolarHBondContact O-CD1 3.29Å; K359-L363 PolarHBondContact O-N 2.95Å |
| 360 | L | 60 | Low | 57.7 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 175.4 | -69.1 | 170.2 | 0 | 0 | 0 | 111.8 | E356 A362 L363 I364 | E356-L360 HydrophobicContact CG-CD1 4.02Å; E356-L360 HydrophobicContact CG-CG 4.28Å; E356-L360 WeakPolarHBondContact O-CB 3.3Å; E356-L360 VanDerWaalsContact O-CG 3.23Å; E356-L360 WeakPolarHBondContact O-CG 3.32Å; E356-L360 PolarHBondContact O-N 2.92Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 2.88Å; L360-L363 PolarHBondContact O-N 3.35Å; L360-I364 WeakPolarHBondContact O-CB 3.29Å; L360-I364 WeakPolarHBondContact O-CD1 3.26Å; L360-I364 VanDerWaalsContact O-CG1 3.25Å; L360-I364 WeakPolarHBondContact O-CG1 3.38Å; L360-I364 PolarHBondContact O-N 2.8Å |
| 361 | R | 57.1 | Low | 56.3 | Low | 173 Ų | 173 | 109.6 Ų | 109.6 | 65% | 0.653 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.7 | -41.6 | 172.8 | -76.6 | 174 | -175 | -156.6 | 4.4 | 112.1 | I357 K359 I364 T365 | I357-R361 HydrophobicContact CG2-CG 4.41Å; I357-R361 VanDerWaalsContact O-CB 3.26Å; I357-R361 WeakPolarHBondContact O-CB 3.49Å; I357-R361 WeakPolarHBondContact O-CG 3.49Å; I357-R361 PolarHBondContact O-N 3.45Å; K359-R361 PolarHBondContact O-N 2.93Å; R361-I364 PolarHBondContact O-N 2.81Å; R361-T365 PolarHBondContact O-N 2.87Å; R361-T365 PolarHBondContact O-OG1 2.95Å; R361-T365 VanDerWaalsContact O-OG1 3.1Å |
| 362 | A | 58.8 | Low | 54.8 | Low | 23 Ų | 23 | 113.4 Ų | 113.4 | 19% | 0.19 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -66.8 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | K358 K359 L360 T365 G366 F369 | K358-A362 WeakPolarHBondContact O-CB 3.34Å; K358-A362 PolarHBondContact O-N 3.43Å; K359-A362 WeakPolarHBondContact O-CB 3.08Å; K359-A362 PolarHBondContact O-N 2.96Å; K359-A362 VanDerWaalsContact O-N 3.13Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 2.88Å; A362-T365 PolarHBondContact O-OG1 2.88Å; A362-G366 PolarHBondContact O-N 2.89Å; A362-F369 HydrophobicContact CB-CE2 3.96Å; A362-F369 HydrophobicContact CB-CZ 3.99Å |
| 363 | L | 63.4 | Low | 53.3 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 60% | 0.602 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.8 | -41.9 | 171.1 | -88.5 | 80.1 | 0 | 0 | 0 | 111.4 | K359 L360 G366 F369 | K359-L363 HydrophobicContact CG-CD1 4.11Å; K359-L363 WeakPolarHBondContact O-CD1 3.29Å; K359-L363 PolarHBondContact O-N 2.95Å; L360-L363 PolarHBondContact O-N 3.35Å; L363-G366 PolarHBondContact O-N 3.47Å; L363-F369 HydrophobicContact CD1-CE2 4.16Å |
| 364 | I | 51.8 | Low | 51.8 | Low | 126 Ų | 126 | 116.5 Ų | 116.5 | 65% | 0.646 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -35.5 | 179.6 | -69 | 164.3 | 0 | 0 | 0 | 112.2 | L360 R361 G366 | L360-I364 WeakPolarHBondContact O-CB 3.29Å; L360-I364 WeakPolarHBondContact O-CD1 3.26Å; L360-I364 VanDerWaalsContact O-CG1 3.25Å; L360-I364 WeakPolarHBondContact O-CG1 3.38Å; L360-I364 PolarHBondContact O-N 2.8Å; R361-I364 PolarHBondContact O-N 2.81Å; I364-G366 VanDerWaalsContact C-N 3.33Å |
| 365 | T | 55.5 | Low | 50.3 | Low | 93 Ų | 93 | 116.8 Ų | 116.8 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -1.3 | 177.7 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | R361 A362 Q367 | R361-T365 PolarHBondContact O-N 2.87Å; R361-T365 PolarHBondContact O-OG1 2.95Å; R361-T365 VanDerWaalsContact O-OG1 3.1Å; A362-T365 PolarHBondContact O-OG1 2.88Å; T365-Q367 PolarHBondContact O-N 3.32Å; T365-Q367 VanDerWaalsContact O-N 3.15Å |
| 366 | G | 43.7 | Very low | 48.6 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.2 | 16.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A362 L363 I364 | A362-G366 PolarHBondContact O-N 2.89Å; L363-G366 PolarHBondContact O-N 3.47Å; I364-G366 VanDerWaalsContact C-N 3.33Å |
| 367 | Q | 40.3 | Very low | 47 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 132.5 | 176.5 | -76.1 | -169.4 | -26.3 | 0 | 0 | 110.6 | T365 F369 | T365-Q367 PolarHBondContact O-N 3.32Å; T365-Q367 VanDerWaalsContact O-N 3.15Å; Q367-F369 PolarHBondContact O-N 3.02Å |
| 368 | P | 41.4 | Very low | 45.5 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -66 | 128.8 | 171.1 | 28.2 | -33.1 | 0 | 0 | 0 | 109.5 | ||
| 369 | F | 39.1 | Very low | 44 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 53% | 0.526 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -61 | 136.4 | 170 | -84.1 | -104.8 | 0 | 0 | 0 | 109.7 | A362 L363 Q367 L371 | A362-F369 HydrophobicContact CB-CE2 3.96Å; A362-F369 HydrophobicContact CB-CZ 3.99Å; L363-F369 HydrophobicContact CD1-CE2 4.16Å; Q367-F369 PolarHBondContact O-N 3.02Å; F369-L371 PolarHBondContact O-N 3.49Å |
| 370 | P | 35.3 | Very low | 42.5 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | trans | -64.7 | 106.4 | 161.8 | 27.7 | -31.6 | 0 | 0 | 0 | 108.1 | N372 | P370-N372 VanDerWaalsContact C-N 3.34Å; P370-N372 PolarHBondContact O-N 3.4Å | ||
| 371 | L | 35.3 | Very low | 41.1 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | -68.1 | 86.7 | -178.3 | -82.6 | 167.9 | 0 | 0 | 0 | 111.3 | F369 | F369-L371 PolarHBondContact O-N 3.49Š| ||
| 372 | N | 39.8 | Very low | 39.9 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | trans | -110 | 118.9 | 161.9 | -84.6 | -31.5 | 0 | 0 | 0 | 109.2 | P370 | P370-N372 VanDerWaalsContact C-N 3.34Å; P370-N372 PolarHBondContact O-N 3.4Å | ||
| 373 | F | 38.9 | Very low | 38.6 | Very low | 207 Ų | 207 | 130.1 Ų | 130.1 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 63.2 | 83.3 | 169.2 | -114.8 | -98.5 | 0 | 0 | 0 | 117.3 | ||
| 374 | S | 34.3 | Very low | 37 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 171.8 | 54.7 | 136.6 | -76.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 375 | T | 31.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -143.1 | 45.2 | 179.2 | -36.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 376 | A | 31.4 | Very low | 35 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -127.1 | 24 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 377 | L | 34.8 | Very low | 34.8 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -133.5 | 9.5 | -168.8 | -108.7 | 165.7 | 0 | 0 | 0 | 115.1 | ||
| 378 | L | 35.1 | Very low | 34.5 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | -141.8 | 64.4 | 179.2 | -71.9 | 177.1 | 0 | 0 | 0 | 112.1 | ||||
| 379 | T | 30.6 | Very low | 34 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -136.2 | 78.3 | 174 | 48.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 380 | S | 34.6 | Very low | 33.9 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -152.7 | 43.4 | 177.9 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 381 | Q | 30.6 | Very low | 34.4 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -150 | 148.9 | 158.1 | -110.4 | 160.4 | 53.3 | 0 | 0 | 110.4 | ||
| 382 | P | 31 | Very low | 34.8 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -79.8 | 154.4 | -168.3 | 32.6 | -35.5 | 0 | 0 | 0 | 113.1 | D384 | P382-D384 PolarHBondContact O-N 2.87Š| ||
| 383 | A | 31.7 | Very low | 35 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 96.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 384 | D | 30.9 | Very low | 35.3 | Very low | 159 Ų | 159 | 133 Ų | 133 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -149.5 | 70.7 | 168.6 | -161.6 | 8.2 | 0 | 0 | 0 | 112.6 | P382 | P382-D384 PolarHBondContact O-N 2.87Š| ||
| 385 | A | 31.6 | Very low | 36 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -159.2 | 17.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | S387 | A385-S387 PolarHBondContact O-N 3.14Š| ||
| 386 | L | 32.7 | Very low | 36.9 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 100% | 0.995 | 76% | 0.761 | S | S | * | * | trans | -80.4 | 49.5 | -176.2 | -102.2 | 169.3 | 0 | 0 | 0 | 113.6 | ||||
| 387 | S | 38.7 | Very low | 37.8 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -158.2 | 88.1 | 174.3 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | A385 | A385-S387 PolarHBondContact O-N 3.14Š| ||
| 388 | R | 35 | Very low | 38.8 | Very low | 241 Ų | 241 | 129.2 Ų | 129.2 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | 162.3 | 99.6 | 147.9 | -89.5 | 154.6 | -170.1 | -163 | 2.5 | 110.5 | ||||
| 389 | L | 30.4 | Very low | 40 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 123.2 | 162.4 | -73.7 | 166.9 | 0 | 0 | 0 | 108.9 | ||
| 390 | P | 36.8 | Very low | 41.5 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 147.2 | 161.9 | 32.1 | -32 | 0 | 0 | 0 | 109.9 | ||
| 391 | P | 45.8 | Very low | 42.9 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -68.1 | 171.3 | 166.8 | 31.5 | -35 | 0 | 0 | 0 | 111.2 | ||
| 392 | N | 43.9 | Very low | 44.7 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | trans | 80.9 | 41.5 | 178 | -47.5 | -1.8 | 0 | 0 | 0 | 115.5 | ||||
| 393 | A | 43.4 | Very low | 46.4 | Very low | 52 Ų | 52 | 121.5 Ų | 121.5 | 43% | 0.43 | 66% | 0.659 | S | S | . | * | trans | -91.9 | -2.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T396 K397 | A393-T396 PolarHBondContact O-OG1 2.96Å; A393-K397 WeakPolarHBondContact O-CD 3.42Å; A393-K397 WeakPolarHBondContact O-CE 3.16Å; A393-K397 WeakPolarHBondContact O-CG 3.27Å | ||
| 394 | D | 47.3 | Very low | 47.5 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -102 | -41.7 | -172.6 | -62.3 | -47.8 | 0 | 0 | 0 | 113.3 | T396 K397 D398 | D394-T396 PolarHBondContact O-N 3.32Å; D394-K397 WeakPolarHBondContact O-CB 3.47Å; D394-K397 PolarHBondContact O-N 3.44Å; D394-K397 IonicContact OD1-NZ 2.66Å; D394-K397 PolarHBondContact OD1-NZ 3.47Å; D394-D398 PolarHBondContact O-N 3.19Å; D394-D398 VanDerWaalsContact O-N 3.08Å |
| 395 | E | 48.2 | Very low | 49.2 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -53.9 | -29.8 | 173.8 | -79.5 | -164.5 | -148.9 | 0 | 0 | 114 | K399 | E395-K399 VanDerWaalsContact O-CD 3.25Å; E395-K399 WeakPolarHBondContact O-CD 3.46Å; E395-K399 VanDerWaalsContact O-CG 3.28Å; E395-K399 WeakPolarHBondContact O-CG 3.5Å; E395-K399 PolarHBondContact O-N 3.32Å; E395-K399 IonicContact OE2-NZ 2.8Å; E395-K399 PolarHBondContact OE2-NZ 3.03Å |
| 396 | T | 51.6 | Low | 51.5 | Low | 77 Ų | 77 | 123.8 Ų | 123.8 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -77.1 | -34.1 | 177.2 | 47.5 | 0 | 0 | 0 | 0 | 112 | A393 D394 I400 | A393-T396 PolarHBondContact O-OG1 2.96Å; D394-T396 PolarHBondContact O-N 3.32Å; T396-I400 WeakPolarHBondContact O-CB 3.23Å; T396-I400 WeakPolarHBondContact O-CD1 3.43Å; T396-I400 VanDerWaalsContact O-CG1 3.26Å; T396-I400 WeakPolarHBondContact O-CG1 3.41Å; T396-I400 PolarHBondContact O-N 3.43Å; T396-I400 VanDerWaalsContact O-N 3.14Å |
| 397 | K | 49.8 | Very low | 53.2 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.2 | -44.1 | 174.7 | -64.1 | 168.7 | -168.3 | 156.7 | 0 | 111.1 | A393 D394 I400 K401 | A393-K397 WeakPolarHBondContact O-CD 3.42Å; A393-K397 WeakPolarHBondContact O-CE 3.16Å; A393-K397 WeakPolarHBondContact O-CG 3.27Å; D394-K397 WeakPolarHBondContact O-CB 3.47Å; D394-K397 PolarHBondContact O-N 3.44Å; D394-K397 IonicContact OD1-NZ 2.66Å; D394-K397 PolarHBondContact OD1-NZ 3.47Å; K397-I400 PolarHBondContact O-N 2.87Å; K397-K401 VanDerWaalsContact O-CB 3.29Å; K397-K401 WeakPolarHBondContact O-CB 3.23Å; K397-K401 PolarHBondContact O-N 3.48Å |
| 398 | D | 55.4 | Low | 54.1 | Low | 102 Ų | 102 | 118.4 Ų | 118.4 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.1 | -42.6 | -177.2 | -69.1 | -35.1 | 0 | 0 | 0 | 111.6 | D394 I400 K401 E402 | D394-D398 PolarHBondContact O-N 3.19Å; D394-D398 VanDerWaalsContact O-N 3.08Å; D398-I400 PolarHBondContact O-N 3.1Å; D398-K401 WeakPolarHBondContact O-CB 3.43Å; D398-K401 PolarHBondContact O-N 3.16Å; D398-E402 WeakPolarHBondContact O-CB 3.32Å; D398-E402 PolarHBondContact O-N 3.26Å |
| 399 | K | 60.9 | Low | 56.1 | Low | 116 Ų | 116 | 109.7 Ų | 109.7 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.6 | -41.7 | 173.9 | -68.4 | 164.2 | -165.8 | 157.9 | 0 | 112.2 | E395 K401 E402 E403 | E395-K399 VanDerWaalsContact O-CD 3.25Å; E395-K399 WeakPolarHBondContact O-CD 3.46Å; E395-K399 VanDerWaalsContact O-CG 3.28Å; E395-K399 WeakPolarHBondContact O-CG 3.5Å; E395-K399 PolarHBondContact O-N 3.32Å; E395-K399 IonicContact OE2-NZ 2.8Å; E395-K399 PolarHBondContact OE2-NZ 3.03Å; K399-K401 VanDerWaalsContact C-N 3.34Å; K399-E402 PolarHBondContact O-N 3.38Å; K399-E403 PolarHBondContact O-N 2.92Å; K399-E403 VanDerWaalsContact O-N 3.11Å |
| 400 | I | 61.9 | Low | 58.6 | Low | 91 Ų | 91 | 107.8 Ų | 107.8 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 174.3 | -76.8 | 164.8 | 0 | 0 | 0 | 111.2 | T396 K397 D398 E403 Y404 | T396-I400 WeakPolarHBondContact O-CB 3.23Å; T396-I400 WeakPolarHBondContact O-CD1 3.43Å; T396-I400 VanDerWaalsContact O-CG1 3.26Å; T396-I400 WeakPolarHBondContact O-CG1 3.41Å; T396-I400 PolarHBondContact O-N 3.43Å; T396-I400 VanDerWaalsContact O-N 3.14Å; K397-I400 PolarHBondContact O-N 2.87Å; D398-I400 PolarHBondContact O-N 3.1Å; I400-E403 PolarHBondContact O-N 3.42Å; I400-Y404 HydrophobicContact CG2-CD2 3.68Å; I400-Y404 HydrophobicContact CG2-CE2 3.41Å; I400-Y404 VanDerWaalsContact CG2-CE2 3.41Å; I400-Y404 WeakPolarHBondContact O-CD2 3.49Å; I400-Y404 PolarHBondContact O-N 2.97Å; I400-Y404 VanDerWaalsContact O-N 3.08Å |
| 401 | K | 62.4 | Low | 60 | Low | 115 Ų | 115 | 108.1 Ų | 108.1 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 178.4 | -175.3 | -172.1 | 175.7 | -130.9 | 0 | 111.6 | K397 D398 K399 Y404 E405 | K397-K401 VanDerWaalsContact O-CB 3.29Å; K397-K401 WeakPolarHBondContact O-CB 3.23Å; K397-K401 PolarHBondContact O-N 3.48Å; D398-K401 WeakPolarHBondContact O-CB 3.43Å; D398-K401 PolarHBondContact O-N 3.16Å; K399-K401 VanDerWaalsContact C-N 3.34Å; K401-Y404 PolarHBondContact O-N 3.06Å; K401-E405 WeakPolarHBondContact CE-OE1 3.49Å; K401-E405 IonicContact NZ-OE1 3.33Å; K401-E405 PolarHBondContact NZ-OE1 3.47Å; K401-E405 WeakPolarHBondContact O-CG 3.42Å; K401-E405 PolarHBondContact O-N 3.43Å |
| 402 | E | 70.3 | Confident | 61.2 | Low | 140 Ų | 140 | 110.2 Ų | 110.2 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 176 | -168.5 | 167.4 | -142.6 | 0 | 0 | 111.3 | D398 K399 Y404 E405 E406 | D398-E402 WeakPolarHBondContact O-CB 3.32Å; D398-E402 PolarHBondContact O-N 3.26Å; K399-E402 PolarHBondContact O-N 3.38Å; E402-Y404 VanDerWaalsContact C-N 3.3Å; E402-Y404 PolarHBondContact O-N 2.98Å; E402-E405 PolarHBondContact O-N 2.85Å; E402-E406 PolarHBondContact O-N 3.29Å |
| 403 | E | 64.9 | Low | 63 | Low | 102 Ų | 102 | 106.8 Ų | 106.8 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -33.2 | 175 | -158.8 | -163.8 | 140.1 | 0 | 0 | 112.9 | K399 I400 K407 | K399-E403 PolarHBondContact O-N 2.92Å; K399-E403 VanDerWaalsContact O-N 3.11Å; I400-E403 PolarHBondContact O-N 3.42Å; E403-K407 WeakPolarHBondContact O-CB 3.35Å; E403-K407 WeakPolarHBondContact O-CD 3.39Å; E403-K407 WeakPolarHBondContact O-CG 3.22Å; E403-K407 PolarHBondContact O-N 2.88Å; E403-K407 IonicContact OE1-NZ 3.49Å; E403-K407 PolarHBondContact OE1-NZ 3.02Å |
| 404 | Y | 55.4 | Low | 64.7 | Low | 158 Ų | 158 | 109.1 Ų | 109.1 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.2 | -37.6 | 173.1 | -78.7 | -53.9 | 0 | 0 | 0 | 113.1 | I400 K401 E402 K407 L408 | I400-Y404 HydrophobicContact CG2-CD2 3.68Å; I400-Y404 HydrophobicContact CG2-CE2 3.41Å; I400-Y404 VanDerWaalsContact CG2-CE2 3.41Å; I400-Y404 WeakPolarHBondContact O-CD2 3.49Å; I400-Y404 PolarHBondContact O-N 2.97Å; I400-Y404 VanDerWaalsContact O-N 3.08Å; K401-Y404 PolarHBondContact O-N 3.06Å; E402-Y404 VanDerWaalsContact C-N 3.3Å; E402-Y404 PolarHBondContact O-N 2.98Å; Y404-K407 PolarHBondContact O-N 3.31Å; Y404-L408 VanDerWaalsContact O-CB 3.29Å; Y404-L408 WeakPolarHBondContact O-CB 3.26Å; Y404-L408 PolarHBondContact O-N 3.24Å |
| 405 | E | 67.3 | Low | 65.9 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 176.9 | -74.8 | -179.3 | -167.7 | 0 | 0 | 111.2 | K401 E402 L408 A409 | K401-E405 WeakPolarHBondContact CE-OE1 3.49Å; K401-E405 IonicContact NZ-OE1 3.33Å; K401-E405 PolarHBondContact NZ-OE1 3.47Å; K401-E405 WeakPolarHBondContact O-CG 3.42Å; K401-E405 PolarHBondContact O-N 3.43Å; E402-E405 PolarHBondContact O-N 2.85Å; E405-L408 PolarHBondContact O-N 3.39Å; E405-A409 WeakPolarHBondContact O-CB 3.36Å; E405-A409 PolarHBondContact O-N 2.9Å |
| 406 | E | 79.5 | Confident | 67.3 | Low | 146 Ų | 146 | 109.7 Ų | 109.7 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 172.5 | -171.8 | -178.5 | -161.2 | 0 | 0 | 112 | E402 L408 A409 K410 | E402-E406 PolarHBondContact O-N 3.29Å; E406-L408 VanDerWaalsContact C-N 3.3Å; E406-L408 PolarHBondContact O-N 3.45Å; E406-A409 PolarHBondContact O-N 3.13Å; E406-K410 PolarHBondContact O-N 2.99Å |
| 407 | K | 67.7 | Low | 68.8 | Low | 113 Ų | 113 | 108.9 Ų | 108.9 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 175.4 | -79.7 | 167.9 | 176.2 | 164.3 | 0 | 112.3 | E403 Y404 K410 L411 | E403-K407 WeakPolarHBondContact O-CB 3.35Å; E403-K407 WeakPolarHBondContact O-CD 3.39Å; E403-K407 WeakPolarHBondContact O-CG 3.22Å; E403-K407 PolarHBondContact O-N 2.88Å; E403-K407 IonicContact OE1-NZ 3.49Å; E403-K407 PolarHBondContact OE1-NZ 3.02Å; Y404-K407 PolarHBondContact O-N 3.31Å; K407-K410 PolarHBondContact O-N 2.89Å; K407-L411 WeakPolarHBondContact O-CB 3.5Å; K407-L411 PolarHBondContact O-N 3.23Å |
| 408 | L | 57.8 | Low | 70.2 | Confident | 64 Ų | 64 | 109.4 Ų | 109.4 | 34% | 0.335 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 177.7 | -176.3 | 60.2 | 0 | 0 | 0 | 112.3 | Y404 E405 E406 R412 | Y404-L408 VanDerWaalsContact O-CB 3.29Å; Y404-L408 WeakPolarHBondContact O-CB 3.26Å; Y404-L408 PolarHBondContact O-N 3.24Å; E405-L408 PolarHBondContact O-N 3.39Å; E406-L408 VanDerWaalsContact C-N 3.3Å; E406-L408 PolarHBondContact O-N 3.45Å; L408-R412 WeakPolarHBondContact O-CD 3.31Å; L408-R412 VanDerWaalsContact O-CG 3.23Å; L408-R412 WeakPolarHBondContact O-CG 3.46Å; L408-R412 PolarHBondContact O-N 3.44Å |
| 409 | A | 77.7 | Confident | 70.9 | Confident | 59 Ų | 59 | 108 Ų | 108 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E405 E406 R412 A413 | E405-A409 WeakPolarHBondContact O-CB 3.36Å; E405-A409 PolarHBondContact O-N 2.9Å; E406-A409 PolarHBondContact O-N 3.13Å; A409-R412 PolarHBondContact O-N 2.98Å; A409-A413 PolarHBondContact O-N 2.92Å; A409-A413 VanDerWaalsContact O-N 3.12Å |
| 410 | K | 82.9 | Confident | 71.8 | Confident | 136 Ų | 136 | 107.8 Ų | 107.8 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -48.1 | 178.4 | -168.5 | -179 | -176.9 | -162.9 | 0 | 112.4 | E406 K407 R412 A413 E414 | E406-K410 PolarHBondContact O-N 2.99Å; K407-K410 PolarHBondContact O-N 2.89Å; K410-R412 VanDerWaalsContact C-N 3.26Å; K410-R412 PolarHBondContact O-N 3.26Å; K410-A413 WeakPolarHBondContact O-CB 3.35Å; K410-A413 PolarHBondContact O-N 3.39Å; K410-E414 WeakPolarHBondContact CE-OE1 3.33Å; K410-E414 IonicContact NZ-OE1 2.56Å; K410-E414 PolarHBondContact O-N 2.91Å |
| 411 | L | 65 | Low | 72.8 | Confident | 110 Ų | 110 | 107.1 Ų | 107.1 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -32.2 | -179.9 | -169.7 | 66.4 | 0 | 0 | 0 | 112.5 | K407 Y415 | K407-L411 WeakPolarHBondContact O-CB 3.5Å; K407-L411 PolarHBondContact O-N 3.23Å; L411-Y415 WeakPolarHBondContact O-CB 3.37Å; L411-Y415 PolarHBondContact O-N 3Å |
| 412 | R | 72.5 | Confident | 73.3 | Confident | 154 Ų | 154 | 107.1 Ų | 107.1 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.9 | -37.3 | 172.5 | -72.8 | 168.8 | -179.5 | 179.8 | 2 | 112.6 | L408 A409 K410 N416 | L408-R412 WeakPolarHBondContact O-CD 3.31Å; L408-R412 VanDerWaalsContact O-CG 3.23Å; L408-R412 WeakPolarHBondContact O-CG 3.46Å; L408-R412 PolarHBondContact O-N 3.44Å; A409-R412 PolarHBondContact O-N 2.98Å; K410-R412 VanDerWaalsContact C-N 3.26Å; K410-R412 PolarHBondContact O-N 3.26Å; R412-N416 WeakPolarHBondContact O-CB 3.43Å; R412-N416 VanDerWaalsContact O-CG 3.29Å; R412-N416 PolarHBondContact O-N 3.44Å |
| 413 | A | 81.6 | Confident | 73.9 | Confident | 61 Ų | 61 | 103.1 Ų | 103.1 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A409 K410 N416 A417 | A409-A413 PolarHBondContact O-N 2.92Å; A409-A413 VanDerWaalsContact O-N 3.12Å; K410-A413 WeakPolarHBondContact O-CB 3.35Å; K410-A413 PolarHBondContact O-N 3.39Å; A413-N416 PolarHBondContact O-N 3.42Å; A413-A417 WeakPolarHBondContact O-CB 3.31Å; A413-A417 PolarHBondContact O-N 3.42Å |
| 414 | E | 79.1 | Confident | 74.9 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 175.3 | -70.5 | 169.4 | 176.8 | 0 | 0 | 111.4 | K410 N416 A417 E418 | K410-E414 WeakPolarHBondContact CE-OE1 3.33Å; K410-E414 IonicContact NZ-OE1 2.56Å; K410-E414 PolarHBondContact O-N 2.91Å; E414-N416 PolarHBondContact O-N 2.91Å; E414-A417 PolarHBondContact O-N 2.82Å; E414-E418 PolarHBondContact O-N 3.26Å |
| 415 | Y | 72.8 | Confident | 76 | Confident | 136 Ų | 136 | 101.4 Ų | 101.4 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.3 | 179.2 | -98.5 | 0 | 0 | 0 | 113.1 | L411 E418 Q419 | L411-Y415 WeakPolarHBondContact O-CB 3.37Å; L411-Y415 PolarHBondContact O-N 3Å; Y415-E418 PolarHBondContact O-N 3.39Å; Y415-Q419 HydrophobicContact CD1-CG 4.31Å; Y415-Q419 HydrophobicContact CE1-CG 3.89Å; Y415-Q419 WeakPolarHBondContact O-CG 3.38Å; Y415-Q419 PolarHBondContact O-N 2.9Å |
| 416 | N | 76.6 | Confident | 76.5 | Confident | 98 Ų | 98 | 101.4 Ų | 101.4 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 178.5 | -74.9 | -5.1 | 0 | 0 | 0 | 111.9 | R412 A413 E414 E418 Q419 E420 | R412-N416 WeakPolarHBondContact O-CB 3.43Å; R412-N416 VanDerWaalsContact O-CG 3.29Å; R412-N416 PolarHBondContact O-N 3.44Å; A413-N416 PolarHBondContact O-N 3.42Å; E414-N416 PolarHBondContact O-N 2.91Å; N416-E418 VanDerWaalsContact C-N 3.31Å; N416-E418 PolarHBondContact O-N 2.81Å; N416-Q419 PolarHBondContact O-N 3.11Å; N416-E420 PolarHBondContact O-N 2.93Å |
| 417 | A | 83.9 | Confident | 76.6 | Confident | 60 Ų | 60 | 97.1 Ų | 97.1 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A413 E414 E420 S421 | A413-A417 WeakPolarHBondContact O-CB 3.31Å; A413-A417 PolarHBondContact O-N 3.42Å; E414-A417 PolarHBondContact O-N 2.82Å; A417-E420 PolarHBondContact O-N 2.93Å; A417-S421 WeakPolarHBondContact O-CB 3.38Å; A417-S421 PolarHBondContact O-N 3.43Å |
| 418 | E | 79.3 | Confident | 77.3 | Confident | 128 Ų | 128 | 96.9 Ų | 96.9 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.7 | -42.6 | 173.7 | -170.6 | 176 | -151.7 | 0 | 0 | 112.1 | E414 Y415 N416 E420 S421 K422 | E414-E418 PolarHBondContact O-N 3.26Å; Y415-E418 PolarHBondContact O-N 3.39Å; N416-E418 VanDerWaalsContact C-N 3.31Å; N416-E418 PolarHBondContact O-N 2.81Å; E418-E420 PolarHBondContact O-N 3.05Å; E418-S421 WeakPolarHBondContact O-CB 3.33Å; E418-S421 PolarHBondContact O-N 2.62Å; E418-K422 WeakPolarHBondContact O-CB 3.43Å; E418-K422 PolarHBondContact O-N 3.27Å |
| 419 | Q | 70 | Confident | 78.3 | Confident | 71 Ų | 71 | 97.9 Ų | 97.9 | 33% | 0.332 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 174 | -63.5 | -47.5 | -47.7 | 0 | 0 | 112.2 | Y415 N416 S421 K422 A423 | Y415-Q419 HydrophobicContact CD1-CG 4.31Å; Y415-Q419 HydrophobicContact CE1-CG 3.89Å; Y415-Q419 WeakPolarHBondContact O-CG 3.38Å; Y415-Q419 PolarHBondContact O-N 2.9Å; N416-Q419 PolarHBondContact O-N 3.11Å; Q419-S421 VanDerWaalsContact C-N 3.34Å; Q419-S421 PolarHBondContact O-N 2.7Å; Q419-K422 PolarHBondContact O-N 2.98Å; Q419-A423 WeakPolarHBondContact O-CB 3.34Å; Q419-A423 PolarHBondContact O-N 2.96Å |
| 420 | E | 79.1 | Confident | 78.6 | Confident | 113 Ų | 113 | 99.5 Ų | 99.5 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 172.7 | -87.3 | -163.7 | -142.1 | 0 | 0 | 112.5 | N416 A417 E418 A423 K424 | N416-E420 PolarHBondContact O-N 2.93Å; A417-E420 PolarHBondContact O-N 2.93Å; E418-E420 PolarHBondContact O-N 3.05Å; E420-A423 PolarHBondContact O-N 3.34Å; E420-K424 WeakPolarHBondContact O-CB 3.26Å; E420-K424 WeakPolarHBondContact O-CD 3.45Å; E420-K424 VanDerWaalsContact O-CG 3.24Å; E420-K424 WeakPolarHBondContact O-CG 3.29Å; E420-K424 PolarHBondContact O-N 3.2Å; E420-K424 IonicContact OE2-NZ 2.66Å; E420-K424 PolarHBondContact OE2-NZ 3.04Å |
| 421 | S | 83.1 | Confident | 78.6 | Confident | 76 Ų | 76 | 95.9 Ų | 95.9 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 176.6 | -170 | 0 | 0 | 0 | 0 | 111.4 | A417 E418 Q419 A423 K424 L425 | A417-S421 WeakPolarHBondContact O-CB 3.38Å; A417-S421 PolarHBondContact O-N 3.43Å; E418-S421 WeakPolarHBondContact O-CB 3.33Å; E418-S421 PolarHBondContact O-N 2.62Å; Q419-S421 VanDerWaalsContact C-N 3.34Å; Q419-S421 PolarHBondContact O-N 2.7Å; S421-A423 PolarHBondContact O-N 2.79Å; S421-K424 PolarHBondContact O-N 3.28Å; S421-L425 WeakPolarHBondContact O-CB 3.35Å; S421-L425 PolarHBondContact O-N 2.8Å |
| 422 | K | 73.7 | Confident | 79.3 | Confident | 116 Ų | 116 | 95.5 Ų | 95.5 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.3 | -171.6 | -179.6 | 178.7 | -178.4 | 0 | 111.9 | E418 Q419 L425 Q426 | E418-K422 WeakPolarHBondContact O-CB 3.43Å; E418-K422 PolarHBondContact O-N 3.27Å; Q419-K422 PolarHBondContact O-N 2.98Å; K422-L425 PolarHBondContact O-N 3.28Å; K422-Q426 WeakPolarHBondContact O-CG 3.43Å; K422-Q426 PolarHBondContact O-N 3.4Å |
| 423 | A | 82.9 | Confident | 79.4 | Confident | 55 Ų | 55 | 93.3 Ų | 93.3 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q419 E420 S421 L425 Q426 A427 | Q419-A423 WeakPolarHBondContact O-CB 3.34Å; Q419-A423 PolarHBondContact O-N 2.96Å; E420-A423 PolarHBondContact O-N 3.34Å; S421-A423 PolarHBondContact O-N 2.79Å; A423-L425 VanDerWaalsContact C-N 3.35Å; A423-Q426 PolarHBondContact O-N 3.45Å; A423-A427 WeakPolarHBondContact O-CB 3.31Å; A423-A427 PolarHBondContact O-N 3.3Å |
| 424 | K | 85.6 | Confident | 79.4 | Confident | 118 Ų | 118 | 95.3 Ų | 95.3 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.1 | -70.6 | 159.8 | -167.2 | 162.7 | 0 | 111.4 | E420 S421 A427 N428 | E420-K424 WeakPolarHBondContact O-CB 3.26Å; E420-K424 WeakPolarHBondContact O-CD 3.45Å; E420-K424 VanDerWaalsContact O-CG 3.24Å; E420-K424 WeakPolarHBondContact O-CG 3.29Å; E420-K424 PolarHBondContact O-N 3.2Å; E420-K424 IonicContact OE2-NZ 2.66Å; E420-K424 PolarHBondContact OE2-NZ 3.04Å; S421-K424 PolarHBondContact O-N 3.28Å; K424-A427 PolarHBondContact O-N 2.66Å; K424-N428 WeakPolarHBondContact O-CB 3.37Å; K424-N428 VanDerWaalsContact O-CG 3.23Å; K424-N428 PolarHBondContact O-N 3.17Å; K424-N428 PolarHBondContact O-ND2 3.32Å |
| 425 | L | 79.1 | Confident | 79.4 | Confident | 106 Ų | 106 | 92.4 Ų | 92.4 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 175.5 | -174.7 | 61.9 | 0 | 0 | 0 | 112.2 | S421 K422 A423 N428 I429 | S421-L425 WeakPolarHBondContact O-CB 3.35Å; S421-L425 PolarHBondContact O-N 2.8Å; K422-L425 PolarHBondContact O-N 3.28Å; A423-L425 VanDerWaalsContact C-N 3.35Å; L425-N428 PolarHBondContact O-N 2.67Å; L425-I429 HydrophobicContact CG-CD1 4.19Å; L425-I429 VanDerWaalsContact O-CG1 3.32Å; L425-I429 WeakPolarHBondContact O-CG1 3.45Å; L425-I429 PolarHBondContact O-N 2.92Å |
| 426 | Q | 76.3 | Confident | 79.3 | Confident | 110 Ų | 110 | 92.4 Ų | 92.4 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 175 | -74 | 179.5 | -52.8 | 0 | 0 | 112.2 | K422 A423 N428 I429 I430 | K422-Q426 WeakPolarHBondContact O-CG 3.43Å; K422-Q426 PolarHBondContact O-N 3.4Å; A423-Q426 PolarHBondContact O-N 3.45Å; Q426-N428 VanDerWaalsContact C-N 3.32Å; Q426-N428 PolarHBondContact O-N 3.32Å; Q426-I429 PolarHBondContact O-N 2.88Å; Q426-I430 WeakPolarHBondContact O-CG1 3.5Å; Q426-I430 PolarHBondContact O-N 3.38Å |
| 427 | A | 83 | Confident | 79.3 | Confident | 55 Ų | 55 | 93.4 Ų | 93.4 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A423 K424 I430 A431 | A423-A427 WeakPolarHBondContact O-CB 3.31Å; A423-A427 PolarHBondContact O-N 3.3Å; K424-A427 PolarHBondContact O-N 2.66Å; A427-I430 PolarHBondContact O-N 3.45Å; A427-A431 WeakPolarHBondContact O-CB 3.36Å; A427-A431 PolarHBondContact O-N 2.91Å |
| 428 | N | 81.1 | Confident | 79 | Confident | 108 Ų | 108 | 93.7 Ų | 93.7 | 58% | 0.578 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 174.7 | -72.2 | -17.9 | 0 | 0 | 0 | 112.4 | K424 L425 Q426 A431 L432 | K424-N428 WeakPolarHBondContact O-CB 3.37Å; K424-N428 VanDerWaalsContact O-CG 3.23Å; K424-N428 PolarHBondContact O-N 3.17Å; K424-N428 PolarHBondContact O-ND2 3.32Å; L425-N428 PolarHBondContact O-N 2.67Å; Q426-N428 VanDerWaalsContact C-N 3.32Å; Q426-N428 PolarHBondContact O-N 3.32Å; N428-A431 PolarHBondContact O-N 2.99Å; N428-L432 WeakPolarHBondContact O-CB 3.47Å; N428-L432 PolarHBondContact O-N 3.4Å |
| 429 | I | 78.9 | Confident | 79 | Confident | 85 Ų | 85 | 93 Ų | 93 | 44% | 0.436 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 175.4 | -71 | 163 | 0 | 0 | 0 | 110.7 | L425 Q426 L432 Q433 | L425-I429 HydrophobicContact CG-CD1 4.19Å; L425-I429 VanDerWaalsContact O-CG1 3.32Å; L425-I429 WeakPolarHBondContact O-CG1 3.45Å; L425-I429 PolarHBondContact O-N 2.92Å; Q426-I429 PolarHBondContact O-N 2.88Å; I429-L432 WeakPolarHBondContact O-CB 3.34Å; I429-L432 PolarHBondContact O-N 2.86Å; I429-L432 VanDerWaalsContact O-N 3.16Å; I429-Q433 WeakPolarHBondContact O-CG 3.12Å; I429-Q433 PolarHBondContact O-N 2.68Å |
| 430 | I | 83.3 | Confident | 79 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 177.7 | -66.5 | 163.5 | 0 | 0 | 0 | 110.9 | Q426 A427 L432 Q433 L434 | Q426-I430 WeakPolarHBondContact O-CG1 3.5Å; Q426-I430 PolarHBondContact O-N 3.38Å; A427-I430 PolarHBondContact O-N 3.45Å; I430-L432 VanDerWaalsContact C-N 3.29Å; I430-L432 PolarHBondContact O-N 2.75Å; I430-Q433 PolarHBondContact O-N 3.36Å; I430-L434 HydrophobicContact CG2-CD1 4.05Å; I430-L434 WeakPolarHBondContact O-CG 3.45Å; I430-L434 PolarHBondContact O-N 3.01Å |
| 431 | A | 82.8 | Confident | 78.7 | Confident | 59 Ų | 59 | 91 Ų | 91 | 49% | 0.488 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A427 N428 S435 | A427-A431 WeakPolarHBondContact O-CB 3.36Å; A427-A431 PolarHBondContact O-N 2.91Å; N428-A431 PolarHBondContact O-N 2.99Å; A431-S435 WeakPolarHBondContact O-CB 2.97Å; A431-S435 PolarHBondContact O-N 3.19Å |
| 432 | L | 80 | Confident | 78.3 | Confident | 102 Ų | 102 | 91.4 Ų | 91.4 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 175.1 | -149.6 | 79.5 | 0 | 0 | 0 | 111 | N428 I429 I430 S435 Y436 | N428-L432 WeakPolarHBondContact O-CB 3.47Å; N428-L432 PolarHBondContact O-N 3.4Å; I429-L432 WeakPolarHBondContact O-CB 3.34Å; I429-L432 PolarHBondContact O-N 2.86Å; I429-L432 VanDerWaalsContact O-N 3.16Å; I430-L432 VanDerWaalsContact C-N 3.29Å; I430-L432 PolarHBondContact O-N 2.75Å; L432-S435 WeakPolarHBondContact O-CA 3.49Å; L432-S435 WeakPolarHBondContact O-CB 3.24Å; L432-S435 PolarHBondContact O-N 3.48Å; L432-S435 VanDerWaalsContact O-N 3.1Å; L432-S435 PolarHBondContact O-OG 3.46Å; L432-Y436 HydrophobicContact CD2-CE2 4Å; L432-Y436 HydrophobicContact CG-CD2 4.17Å; L432-Y436 HydrophobicContact CG-CE2 3.91Å; L432-Y436 VanDerWaalsContact O-CD2 3.28Å; L432-Y436 WeakPolarHBondContact O-CD2 3.22Å; L432-Y436 PolarHBondContact O-N 3.33Å |
| 433 | Q | 75.8 | Confident | 78 | Confident | 108 Ų | 108 | 91.1 Ų | 91.1 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56 | -52.1 | 176.8 | -73.9 | 171.5 | -49 | 0 | 0 | 111.3 | I429 I430 S435 Y436 E437 | I429-Q433 WeakPolarHBondContact O-CG 3.12Å; I429-Q433 PolarHBondContact O-N 2.68Å; I430-Q433 PolarHBondContact O-N 3.36Å; Q433-S435 PolarHBondContact O-N 2.84Å; Q433-Y436 CarbonylContact O-C 3.4Å; Q433-Y436 WeakPolarHBondContact O-CA 3.29Å; Q433-Y436 WeakPolarHBondContact O-CB 3.48Å; Q433-Y436 PolarHBondContact O-N 3.34Å; Q433-E437 PolarHBondContact O-N 2.87Å |
| 434 | L | 82.2 | Confident | 77.4 | Confident | 103 Ų | 103 | 94.6 Ų | 94.6 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.1 | -35.5 | 175.6 | -68.8 | 168.2 | 0 | 0 | 0 | 112.4 | I430 S438 | I430-L434 HydrophobicContact CG2-CD1 4.05Å; I430-L434 WeakPolarHBondContact O-CG 3.45Å; I430-L434 PolarHBondContact O-N 3.01Å; L434-S438 VanDerWaalsContact O-CB 3.28Å; L434-S438 WeakPolarHBondContact O-CB 3.47Å; L434-S438 PolarHBondContact O-N 2.89Å |
| 435 | S | 77.1 | Confident | 76.7 | Confident | 40 Ų | 40 | 94.8 Ų | 94.8 | 28% | 0.28 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.7 | -32.5 | 174.6 | 90.6 | 0 | 0 | 0 | 0 | 113 | A431 L432 Q433 K439 | A431-S435 WeakPolarHBondContact O-CB 2.97Å; A431-S435 PolarHBondContact O-N 3.19Å; L432-S435 WeakPolarHBondContact O-CA 3.49Å; L432-S435 WeakPolarHBondContact O-CB 3.24Å; L432-S435 PolarHBondContact O-N 3.48Å; L432-S435 VanDerWaalsContact O-N 3.1Å; L432-S435 PolarHBondContact O-OG 3.46Å; Q433-S435 PolarHBondContact O-N 2.84Å; S435-K439 VanDerWaalsContact O-CD 3.32Å; S435-K439 WeakPolarHBondContact O-CD 3.31Å; S435-K439 WeakPolarHBondContact O-CG 3.29Å; S435-K439 PolarHBondContact O-N 3.33Å |
| 436 | Y | 71.4 | Confident | 76 | Confident | 136 Ų | 136 | 92 Ų | 92 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76.3 | -42.4 | 175.4 | -85 | -73.4 | 0 | 0 | 0 | 111.7 | L432 Q433 S438 K439 L440 | L432-Y436 HydrophobicContact CD2-CE2 4Å; L432-Y436 HydrophobicContact CG-CD2 4.17Å; L432-Y436 HydrophobicContact CG-CE2 3.91Å; L432-Y436 VanDerWaalsContact O-CD2 3.28Å; L432-Y436 WeakPolarHBondContact O-CD2 3.22Å; L432-Y436 PolarHBondContact O-N 3.33Å; Q433-Y436 CarbonylContact O-C 3.4Å; Q433-Y436 WeakPolarHBondContact O-CA 3.29Å; Q433-Y436 WeakPolarHBondContact O-CB 3.48Å; Q433-Y436 PolarHBondContact O-N 3.34Å; Y436-S438 VanDerWaalsContact C-N 3.33Å; Y436-S438 PolarHBondContact O-N 2.71Å; Y436-K439 PolarHBondContact O-N 2.87Å; Y436-L440 WeakPolarHBondContact O-CB 3.38Å; Y436-L440 WeakPolarHBondContact O-CG 3.04Å; Y436-L440 PolarHBondContact O-N 3.21Å |
| 437 | E | 76.8 | Confident | 75.2 | Confident | 119 Ų | 119 | 94.8 Ų | 94.8 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 173 | -70.1 | 177.2 | 165.7 | 0 | 0 | 111.8 | Q433 L440 S441 | Q433-E437 PolarHBondContact O-N 2.87Å; E437-L440 PolarHBondContact O-N 2.78Å; E437-S441 WeakPolarHBondContact O-CB 3.44Å; E437-S441 PolarHBondContact O-N 3.41Å |
| 438 | S | 77.7 | Confident | 73.9 | Confident | 66 Ų | 66 | 95.7 Ų | 95.7 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 173.3 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | L434 Y436 N442 | L434-S438 VanDerWaalsContact O-CB 3.28Å; L434-S438 WeakPolarHBondContact O-CB 3.47Å; L434-S438 PolarHBondContact O-N 2.89Å; Y436-S438 VanDerWaalsContact C-N 3.33Å; Y436-S438 PolarHBondContact O-N 2.71Å; S438-N442 WeakPolarHBondContact O-CB 3.49Å; S438-N442 PolarHBondContact O-N 2.91Å; S438-N442 PolarHBondContact O-ND2 2.97Å |
| 439 | K | 78.8 | Confident | 72.6 | Confident | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 175.3 | -73.4 | 164.1 | -172.4 | 164.5 | 0 | 112.3 | S435 Y436 N442 L443 | S435-K439 VanDerWaalsContact O-CD 3.32Å; S435-K439 WeakPolarHBondContact O-CD 3.31Å; S435-K439 WeakPolarHBondContact O-CG 3.29Å; S435-K439 PolarHBondContact O-N 3.33Å; Y436-K439 PolarHBondContact O-N 2.87Å; K439-N442 PolarHBondContact O-N 2.72Å; K439-L443 WeakPolarHBondContact O-CB 3.34Å; K439-L443 WeakPolarHBondContact O-CG 3.41Å; K439-L443 PolarHBondContact O-N 3.49Å |
| 440 | L | 69.6 | Low | 71.3 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -51.3 | 175.7 | -76.3 | 165 | 0 | 0 | 0 | 110.7 | Y436 E437 N442 L443 E444 | Y436-L440 WeakPolarHBondContact O-CB 3.38Å; Y436-L440 WeakPolarHBondContact O-CG 3.04Å; Y436-L440 PolarHBondContact O-N 3.21Å; E437-L440 PolarHBondContact O-N 2.78Å; L440-N442 PolarHBondContact O-N 2.88Å; L440-L443 CarbonylContact O-C 3.6Å; L440-L443 WeakPolarHBondContact O-CA 3.11Å; L440-L443 WeakPolarHBondContact O-CB 3.24Å; L440-L443 PolarHBondContact O-N 3.49Å; L440-E444 WeakPolarHBondContact O-CG 3.39Å; L440-E444 PolarHBondContact O-N 2.68Å |
| 441 | S | 74.1 | Confident | 69.5 | Low | 41 Ų | 41 | 100.6 Ų | 100.6 | 29% | 0.287 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.7 | -35.1 | 177 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | E437 K445 | E437-S441 WeakPolarHBondContact O-CB 3.44Å; E437-S441 PolarHBondContact O-N 3.41Å; S441-K445 WeakPolarHBondContact O-CB 3.42Å; S441-K445 VanDerWaalsContact O-CD 3.28Å; S441-K445 WeakPolarHBondContact O-CD 3.32Å; S441-K445 WeakPolarHBondContact O-CG 3.47Å; S441-K445 PolarHBondContact O-N 2.77Å; S441-K445 PolarHBondContact OG-NZ 2.83Å |
| 442 | N | 75 | Confident | 67.7 | Low | 86 Ų | 86 | 108.7 Ų | 108.7 | 46% | 0.46 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.3 | -34.3 | 175.6 | -68.6 | -20.8 | 0 | 0 | 0 | 112.7 | S438 K439 L440 A446 | S438-N442 WeakPolarHBondContact O-CB 3.49Å; S438-N442 PolarHBondContact O-N 2.91Å; S438-N442 PolarHBondContact O-ND2 2.97Å; K439-N442 PolarHBondContact O-N 2.72Å; L440-N442 PolarHBondContact O-N 2.88Å; N442-A446 VanDerWaalsContact O-CB 3.3Å; N442-A446 WeakPolarHBondContact O-CB 3.45Å; N442-A446 PolarHBondContact O-N 3.09Å |
| 443 | L | 67.3 | Low | 65.6 | Low | 109 Ų | 109 | 109.6 Ų | 109.6 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69 | -36.1 | 171.4 | -75 | 166.4 | 0 | 0 | 0 | 112.3 | K439 L440 A446 K447 | K439-L443 WeakPolarHBondContact O-CB 3.34Å; K439-L443 WeakPolarHBondContact O-CG 3.41Å; K439-L443 PolarHBondContact O-N 3.49Å; L440-L443 CarbonylContact O-C 3.6Å; L440-L443 WeakPolarHBondContact O-CA 3.11Å; L440-L443 WeakPolarHBondContact O-CB 3.24Å; L440-L443 PolarHBondContact O-N 3.49Å; L443-A446 PolarHBondContact O-N 3.39Å; L443-K447 WeakPolarHBondContact O-CG 3.49Å; L443-K447 PolarHBondContact O-N 2.64Å |
| 444 | E | 70.4 | Confident | 63.5 | Low | 129 Ų | 129 | 112.1 Ų | 112.1 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.6 | -45.9 | 172.9 | -71.9 | 173.5 | 156.4 | 0 | 0 | 111.3 | L440 A446 K447 A448 | L440-E444 WeakPolarHBondContact O-CG 3.39Å; L440-E444 PolarHBondContact O-N 2.68Å; E444-A446 VanDerWaalsContact C-N 3.32Å; E444-A446 PolarHBondContact O-N 3.42Å; E444-K447 PolarHBondContact O-N 2.84Å; E444-A448 WeakPolarHBondContact O-CB 3.2Å; E444-A448 PolarHBondContact O-N 3.16Å |
| 445 | K | 70.8 | Confident | 61.8 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 53% | 0.53 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.2 | -42 | 172.1 | -72.1 | 160 | -174 | 141.9 | 0 | 111.7 | S441 K447 A448 S449 | S441-K445 WeakPolarHBondContact O-CB 3.42Å; S441-K445 VanDerWaalsContact O-CD 3.28Å; S441-K445 WeakPolarHBondContact O-CD 3.32Å; S441-K445 WeakPolarHBondContact O-CG 3.47Å; S441-K445 PolarHBondContact O-N 2.77Å; S441-K445 PolarHBondContact OG-NZ 2.83Å; K445-K447 VanDerWaalsContact C-N 3.35Å; K445-K447 PolarHBondContact O-N 3.08Å; K445-A448 PolarHBondContact O-N 3.1Å; K445-S449 WeakPolarHBondContact O-CB 3.48Å; K445-S449 PolarHBondContact O-N 3.41Å; K445-S449 PolarHBondContact O-OG 2.99Å |
| 446 | A | 64.7 | Low | 59.5 | Low | 46 Ų | 46 | 117.3 Ų | 117.3 | 38% | 0.38 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.9 | -28.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | N442 L443 E444 S449 R450 | N442-A446 VanDerWaalsContact O-CB 3.3Å; N442-A446 WeakPolarHBondContact O-CB 3.45Å; N442-A446 PolarHBondContact O-N 3.09Å; L443-A446 PolarHBondContact O-N 3.39Å; E444-A446 VanDerWaalsContact C-N 3.32Å; E444-A446 PolarHBondContact O-N 3.42Å; A446-S449 WeakPolarHBondContact CA-OG 3.34Å; A446-S449 PolarHBondContact O-OG 3.29Å; A446-R450 WeakPolarHBondContact O-CG 3.26Å; A446-R450 PolarHBondContact O-N 2.9Å |
| 447 | K | 58.8 | Low | 57.5 | Low | 169 Ų | 169 | 116.6 Ų | 116.6 | 74% | 0.735 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73 | -44.7 | 168.6 | -78.3 | -178.7 | 176.7 | -178.2 | 0 | 111.2 | L443 E444 K445 S449 R450 G451 | L443-K447 WeakPolarHBondContact O-CG 3.49Å; L443-K447 PolarHBondContact O-N 2.64Å; E444-K447 PolarHBondContact O-N 2.84Å; K445-K447 VanDerWaalsContact C-N 3.35Å; K445-K447 PolarHBondContact O-N 3.08Å; K447-S449 VanDerWaalsContact C-N 3.35Å; K447-S449 PolarHBondContact O-N 3.1Å; K447-R450 PolarHBondContact O-N 2.73Å; K447-R450 VanDerWaalsContact O-N 3.12Å; K447-G451 PolarHBondContact O-N 3.03Å |
| 448 | A | 56 | Low | 55.1 | Low | 74 Ų | 74 | 115.6 Ų | 115.6 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.5 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E444 K445 R450 G451 | E444-A448 WeakPolarHBondContact O-CB 3.2Å; E444-A448 PolarHBondContact O-N 3.16Å; K445-A448 PolarHBondContact O-N 3.1Å; A448-R450 VanDerWaalsContact C-N 3.27Å; A448-R450 PolarHBondContact O-N 3.2Å; A448-G451 PolarHBondContact O-N 3.19Å |
| 449 | S | 54.2 | Low | 52.9 | Low | 94 Ų | 94 | 118 Ų | 118 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -17.5 | 176 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | K445 A446 K447 | K445-S449 WeakPolarHBondContact O-CB 3.48Å; K445-S449 PolarHBondContact O-N 3.41Å; K445-S449 PolarHBondContact O-OG 2.99Å; A446-S449 WeakPolarHBondContact CA-OG 3.34Å; A446-S449 PolarHBondContact O-OG 3.29Å; K447-S449 VanDerWaalsContact C-N 3.35Å; K447-S449 PolarHBondContact O-N 3.1Å |
| 450 | R | 50.6 | Low | 50.4 | Low | 228 Ų | 228 | 120 Ų | 120 | 86% | 0.86 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -6.7 | 172 | -81.8 | -178.8 | 167.9 | -179.9 | -3.2 | 113.8 | A446 K447 A448 | A446-R450 WeakPolarHBondContact O-CG 3.26Å; A446-R450 PolarHBondContact O-N 2.9Å; K447-R450 PolarHBondContact O-N 2.73Å; K447-R450 VanDerWaalsContact O-N 3.12Å; A448-R450 VanDerWaalsContact C-N 3.27Å; A448-R450 PolarHBondContact O-N 3.2Å |
| 451 | G | 45.2 | Very low | 48.5 | Very low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -93.5 | 10 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | K447 A448 | K447-G451 PolarHBondContact O-N 3.03Å; A448-G451 PolarHBondContact O-N 3.19Å |
| 452 | R | 45.3 | Very low | 46.4 | Very low | 230 Ų | 230 | 128.8 Ų | 128.8 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | trans | -156.6 | 72.1 | -167.4 | -157.3 | -177.7 | -170 | -176.8 | 3.4 | 117.6 | ||||
| 453 | S | 35.3 | Very low | 44.1 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | -171.8 | 131.4 | 145.7 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 454 | D | 32.3 | Very low | 42.3 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -140.6 | 158 | 160.3 | -97.2 | -42 | 0 | 0 | 0 | 106.4 | ||||
| 455 | P | 45.8 | Very low | 40.3 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | cis | -134.9 | 168.7 | -16.6 | 40.5 | -25.1 | 0 | 0 | 0 | 114.3 | ||||
| 456 | I | 29.6 | Very low | 39.3 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | 63.5 | 127.9 | 154.7 | -62.5 | 155.6 | 0 | 0 | 0 | 116.8 | ||||
| 457 | T | 28.6 | Very low | 37.6 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | -174.5 | 133.8 | 81.5 | -30.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 458 | S | 28 | Very low | 36.3 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 33.9 | 130.6 | 145.4 | 69.8 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 459 | V | 29.6 | Very low | 35.2 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | 92.2 | 136.9 | 124.6 | 164.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 460 | Q | 28.3 | Very low | 34.1 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 66.2 | 123.9 | 166 | -83.1 | 147.4 | -6.6 | 0 | 0 | 118.2 | ||||
| 461 | E | 28.7 | Very low | 33 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | cis | 88.2 | 106.8 | 45.2 | -70.6 | 173.6 | 151.6 | 0 | 0 | 113.3 | ||||
| 462 | D | 29.1 | Very low | 32.2 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | 177.1 | 163.6 | 115.5 | -92.6 | -16.5 | 0 | 0 | 0 | 112.6 | |||||
| 463 | D | 26.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -85.4 | 159.4 | -169.3 | -73.2 | -59.8 | 0 | 0 | 0 | 116.1 | ||||
| 464 | D | 29.3 | Very low | 31 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | -160.7 | 163.6 | 124.7 | -131.6 | -29.4 | 0 | 0 | 0 | 113.7 | |||||
| 465 | V | 28.5 | Very low | 30.7 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 70% | 0.703 | 73% | 0.73 | S | S | * | * | trans | -138.9 | -169.7 | -162.4 | -126.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 466 | P | 51.4 | Low | 29.8 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | cis | -142.4 | -175 | -11.3 | 41.3 | -21.6 | 0 | 0 | 0 | 118.3 | ||||
| 467 | Y | 28.5 | Very low | 29.7 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | trans | 66.3 | 153.5 | 156.2 | -90.8 | -81.4 | 0 | 0 | 0 | 117.7 | A469 | Y467-A469 HydrophobicContact CD1-CB 4.32Å; Y467-A469 HydrophobicContact CE1-CB 4.49Å | ||
| 468 | Y | 31.7 | Very low | 29.7 | Very low | 206 Ų | 206 | 137.6 Ų | 137.6 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | cis | -108.5 | 158.8 | -6.7 | -88 | -108.4 | 0 | 0 | 0 | 109.6 | ||||
| 469 | A | 31.3 | Very low | 29.5 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 61% | 0.612 | 72% | 0.722 | S | S | * | * | cis | 75.7 | 130.2 | 39.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y467 | Y467-A469 HydrophobicContact CD1-CB 4.32Å; Y467-A469 HydrophobicContact CE1-CB 4.49Å | ||
| 470 | S | 31.3 | Very low | 29.3 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | cis | -148.4 | -166.7 | 3 | 50.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 471 | A | 28.1 | Very low | 29.1 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | cis | -165.3 | 153.6 | 17.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 472 | T | 27.5 | Very low | 29.5 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | 42.8 | 139.1 | 133.1 | 63.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 473 | Y | 28.9 | Very low | 29.3 | Very low | 202 Ų | 202 | 134.9 Ų | 134.9 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | cis | -171.6 | 164.6 | -1 | -120 | -37.2 | 0 | 0 | 0 | 114.3 | ||||
| 474 | Q | 27.2 | Very low | 29.2 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | trans | 72.8 | 141.8 | 153.6 | -67.5 | -177.5 | -88.8 | 0 | 0 | 119.4 | ||||
| 475 | D | 26.2 | Very low | 28.9 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 58% | 0.578 | 71% | 0.707 | S | S | * | * | cis | -148.5 | 141.3 | -6.2 | -97.4 | -27.1 | 0 | 0 | 0 | 109 | ||||
| 476 | E | 27.3 | Very low | 28.9 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | 55.4 | 134.4 | 92.8 | -68.6 | -169.2 | -174 | 0 | 0 | 115 | |||||
| 477 | E | 27.7 | Very low | 27.7 | Very low | 136 Ų | 136 | 137 Ų | 137 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | cis | -156.2 | -178.8 | 5.2 | -124.7 | -165.3 | 160.1 | 0 | 0 | 108.6 | ||||
| 478 | K | 27 | Very low | 27.6 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | cis | -160 | -180 | 11 | -146.6 | 175.8 | -176.2 | 69.2 | 0 | 111.6 | ||||
| 479 | E | 24.9 | Very low | 27.3 | Very low | 155 Ų | 155 | 130 Ų | 130 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | trans | 9.1 | 151.9 | 142.2 | -79.3 | 159 | -166.2 | 0 | 0 | 122.7 | ||||
| 480 | S | 25.9 | Very low | 27 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | cis | -158.6 | 165 | 8.8 | 44.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 481 | T | 24.3 | Very low | 26.7 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | trans | -67.3 | -178.2 | 171.9 | 48.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 482 | P | 36.1 | Very low | 26.6 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | cis | -139 | -178.5 | -31.9 | 34.6 | -15.2 | 0 | 0 | 0 | 115.1 | ||||
| 483 | N | 24.7 | Very low | 26.4 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | 65.2 | 153.4 | 153.5 | -64.8 | -10.3 | 0 | 0 | 0 | 117.9 | ||||
| 484 | T | 25.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | cis | -152.9 | 166.5 | 33.3 | -33.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 485 | D | 24.1 | Very low | 26.1 | Very low | 133 Ų | 133 | 130 Ų | 130 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | -45 | 150 | 175.1 | -43.1 | -56.5 | 0 | 0 | 0 | 116.8 | ||||
| 486 | K | 28.1 | Very low | 26 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | 173.3 | 129.7 | 105.6 | -94.5 | 169.2 | -172.9 | 171.6 | 0 | 117.7 | |||||
| 487 | I | 26.5 | Very low | 25.9 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | 60.6 | 96.2 | 126 | -60.5 | 173.9 | 0 | 0 | 0 | 119.8 | |||||
| 488 | S | 26.1 | Very low | 26.5 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | 72.6 | 131.9 | 121.2 | 88.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 489 | L | 25 | Very low | 26.5 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | 65.9 | 115.9 | 127.3 | -81.6 | 164.8 | 0 | 0 | 0 | 121.9 | |||||
| 490 | S | 25.1 | Very low | 26.5 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | 114.7 | 133.9 | 112.7 | 77.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 491 | T | 24.9 | Very low | 26.4 | Very low | 116 Ų | 116 | 132 Ų | 132 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | 81.1 | 97.4 | 133.1 | -61.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 492 | I | 25.2 | Very low | 26.6 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | 66.8 | 133.8 | 125.2 | -63.1 | 176.6 | 0 | 0 | 0 | 120.8 | |||||
| 493 | S | 24.2 | Very low | 26.2 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 71.5 | 158.3 | 157.3 | 71.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 494 | A | 24 | Very low | 26.3 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | cis | -176.6 | 153.7 | -37.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 495 | Q | 24.7 | Very low | 26.3 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | 59 | 108.7 | 167.4 | -60.8 | -178.9 | -13 | 0 | 0 | 118.2 | ||||
| 496 | K | 25.1 | Very low | 26.4 | Very low | 201 Ų | 201 | 136 Ų | 136 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | 179 | 129.6 | 112.4 | -100.9 | 171 | -178.2 | 177.4 | 0 | 113.8 | |||||
| 497 | D | 25.1 | Very low | 26.4 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -71.7 | 169.9 | 150.4 | -53.8 | -71.5 | 0 | 0 | 0 | 109.8 | ||||
| 498 | P | 40.5 | Very low | 26.6 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | cis | -144.8 | 174.9 | 15.8 | 45.1 | -27.1 | 0 | 0 | 0 | 118.2 | ||||
| 499 | I | 26.2 | Very low | 26.7 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | 60.1 | 119.3 | 150.3 | -66.1 | 153.9 | 0 | 0 | 0 | 118.8 | ||||
| 500 | G | 24.7 | Very low | 27.2 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -175.4 | 145.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 501 | N | 25.6 | Very low | 27.4 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -62.4 | 170.1 | 172.2 | -77.8 | 13.4 | 0 | 0 | 0 | 111.8 | ||||
| 502 | E | 27 | Very low | 28 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | cis | -157.2 | -177.5 | 28.9 | -149.9 | 130.9 | -105.1 | 0 | 0 | 113.4 | ||||
| 503 | L | 28.2 | Very low | 28.3 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -99.2 | 131.9 | -177.5 | -62.5 | 101.2 | 0 | 0 | 0 | 114.7 | ||||
| 504 | T | 26.8 | Very low | 29.1 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -158.5 | 159.3 | 146.6 | 47.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 505 | D | 25.2 | Very low | 30.1 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | cis | -151 | 174.9 | -36.4 | -170 | -8.6 | 0 | 0 | 0 | 105.3 | ||||
| 506 | S | 27.3 | Very low | 31.7 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -40.6 | 147.9 | 168.9 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 507 | T | 26.7 | Very low | 32.8 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | -155 | 162.7 | 56.3 | 46.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 508 | D | 31 | Very low | 34.1 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -63.9 | 131.4 | 169.1 | -123.1 | -48.4 | 0 | 0 | 0 | 111.9 | ||||
| 509 | T | 27.8 | Very low | 34.5 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -150.8 | 110.9 | 155.7 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | S511 | T509-S511 PolarHBondContact O-N 3.23Š| ||
| 510 | K | 36.7 | Very low | 35.5 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -74.4 | 109.5 | -179.1 | -67.7 | 177.8 | 179.6 | 175.5 | 0 | 111.7 | ||||
| 511 | S | 28.3 | Very low | 36.7 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | -94.2 | 129.7 | 155.4 | 45.2 | 0 | 0 | 0 | 0 | 109.5 | T509 E513 | T509-S511 PolarHBondContact O-N 3.23Å; S511-E513 PolarHBondContact O-N 3.19Å | ||
| 512 | N | 36.9 | Very low | 38.1 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | trans | -79.1 | 98.3 | 175 | -76.1 | -26.3 | 0 | 0 | 0 | 109.8 | ||||
| 513 | E | 31.8 | Very low | 39.2 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 146.1 | 161 | -69.1 | -160.8 | 130.3 | 0 | 0 | 110.7 | S511 L515 | S511-E513 PolarHBondContact O-N 3.19Å; E513-L515 PolarHBondContact O-N 2.72Å |
| 514 | P | 41.7 | Very low | 40 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 118.2 | 175.8 | 28.9 | -33 | 0 | 0 | 0 | 109.9 | D516 | P514-D516 PolarHBondContact O-N 3.13Å; P514-D516 VanDerWaalsContact O-N 3.1Å |
| 515 | L | 46 | Very low | 41.2 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 81% | 0.806 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 117 | 175.7 | -77.5 | 164.7 | 0 | 0 | 0 | 110.8 | E513 Q517 V520 | E513-L515 PolarHBondContact O-N 2.72Å; L515-Q517 PolarHBondContact O-N 3.31Å; L515-Q517 VanDerWaalsContact O-N 3.12Å; L515-V520 HydrophobicContact CB-CG2 4.42Å |
| 516 | D | 57.8 | Low | 42.7 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 41% | 0.412 | 67% | 0.669 | S | S | . | * | trans | -59.3 | 115.6 | 178.4 | 170.2 | 25.5 | 0 | 0 | 0 | 110.3 | P514 K518 H519 V520 | P514-D516 PolarHBondContact O-N 3.13Å; P514-D516 VanDerWaalsContact O-N 3.1Å; D516-K518 PolarHBondContact O-N 3.28Å; D516-K518 VanDerWaalsContact O-N 3.11Å; D516-K518 WeakPolarHBondContact OD1-CB 3.29Å; D516-K518 PolarHBondContact OD1-N 2.9Å; D516-H519 HydrophobicContact CB-CB 4.28Å; D516-H519 PolarHBondContact O-N 3.21Å; D516-H519 VanDerWaalsContact O-N 3.09Å; D516-H519 IonicContact OD2-CE1 3.91Å; D516-H519 IonicContact OD2-CG 3.83Å; D516-H519 PolarHBondContact OD2-N 2.95Å; D516-H519 IonicContact OD2-ND1 3.19Å; D516-H519 PolarHBondContact OD2-ND1 3.21Å; D516-V520 PolarHBondContact O-N 3.5Å | ||
| 517 | Q | 47.8 | Very low | 43.9 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -56.5 | -29.1 | 179.5 | -68.8 | -179.4 | -24.3 | 0 | 0 | 112 | L515 V520 L521 | L515-Q517 PolarHBondContact O-N 3.31Å; L515-Q517 VanDerWaalsContact O-N 3.12Å; Q517-V520 PolarHBondContact O-N 3.43Å; Q517-L521 WeakPolarHBondContact O-CB 3.27Å; Q517-L521 VanDerWaalsContact O-CG 3.29Å; Q517-L521 WeakPolarHBondContact O-CG 3.38Å; Q517-L521 PolarHBondContact O-N 3.05Å |
| 518 | K | 53.3 | Low | 45.4 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.2 | -46.6 | 177.2 | -165.9 | -175.3 | 176.8 | -169.1 | 0 | 111.6 | D516 V520 L521 E522 | D516-K518 PolarHBondContact O-N 3.28Å; D516-K518 VanDerWaalsContact O-N 3.11Å; D516-K518 WeakPolarHBondContact OD1-CB 3.29Å; D516-K518 PolarHBondContact OD1-N 2.9Å; K518-V520 VanDerWaalsContact C-N 3.29Å; K518-V520 PolarHBondContact O-N 2.8Å; K518-L521 PolarHBondContact O-N 3.28Å; K518-E522 WeakPolarHBondContact O-CB 3.18Å; K518-E522 PolarHBondContact O-N 3.23Å |
| 519 | H | 48 | Very low | 46.9 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 62% | 0.616 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -59.4 | -37.6 | 171.4 | -85.2 | 86.3 | 0 | 0 | 0 | 112.6 | D516 R523 | D516-H519 HydrophobicContact CB-CB 4.28Å; D516-H519 PolarHBondContact O-N 3.21Å; D516-H519 VanDerWaalsContact O-N 3.09Å; D516-H519 IonicContact OD2-CE1 3.91Å; D516-H519 IonicContact OD2-CG 3.83Å; D516-H519 PolarHBondContact OD2-N 2.95Å; D516-H519 IonicContact OD2-ND1 3.19Å; D516-H519 PolarHBondContact OD2-ND1 3.21Å; H519-R523 WeakPolarHBondContact O-CB 3.27Å; H519-R523 PolarHBondContact O-N 3.44Å |
| 520 | V | 46.8 | Very low | 48.9 | Very low | 80 Ų | 80 | 125.7 Ų | 125.7 | 49% | 0.485 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.6 | -43.1 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | L515 D516 Q517 K518 R523 L524 | L515-V520 HydrophobicContact CB-CG2 4.42Å; D516-V520 PolarHBondContact O-N 3.5Å; Q517-V520 PolarHBondContact O-N 3.43Å; K518-V520 VanDerWaalsContact C-N 3.29Å; K518-V520 PolarHBondContact O-N 2.8Å; V520-R523 PolarHBondContact O-N 2.98Å; V520-L524 WeakPolarHBondContact O-CB 3.39Å; V520-L524 PolarHBondContact O-N 3.19Å |
| 521 | L | 50.1 | Low | 50.7 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.4 | -41.1 | 176.6 | -72.7 | 168.8 | 0 | 0 | 0 | 112.5 | Q517 K518 R523 L524 Q525 | Q517-L521 WeakPolarHBondContact O-CB 3.27Å; Q517-L521 VanDerWaalsContact O-CG 3.29Å; Q517-L521 WeakPolarHBondContact O-CG 3.38Å; Q517-L521 PolarHBondContact O-N 3.05Å; K518-L521 PolarHBondContact O-N 3.28Å; L521-R523 VanDerWaalsContact C-N 3.33Å; L521-L524 PolarHBondContact O-N 3.2Å; L521-Q525 WeakPolarHBondContact O-CB 3.46Å; L521-Q525 PolarHBondContact O-N 3.05Å |
| 522 | E | 54.4 | Low | 53.1 | Low | 122 Ų | 122 | 115.6 Ų | 115.6 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -37.8 | 175.3 | -173 | 170.5 | 174.4 | 0 | 0 | 111.3 | K518 K526 | K518-E522 WeakPolarHBondContact O-CB 3.18Å; K518-E522 PolarHBondContact O-N 3.23Å; E522-K526 WeakPolarHBondContact O-CB 3.44Å; E522-K526 PolarHBondContact O-N 3.15Å |
| 523 | R | 50.3 | Low | 54.6 | Low | 175 Ų | 175 | 109.3 Ų | 109.3 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 172.2 | -168.5 | 71.2 | -178.5 | -149.9 | 3.2 | 112 | H519 V520 L521 L527 | H519-R523 WeakPolarHBondContact O-CB 3.27Å; H519-R523 PolarHBondContact O-N 3.44Å; V520-R523 PolarHBondContact O-N 2.98Å; L521-R523 VanDerWaalsContact C-N 3.33Å; R523-L527 HydrophobicContact CG-CD1 4.41Å; R523-L527 WeakPolarHBondContact O-CG 3.49Å; R523-L527 PolarHBondContact O-N 3.33Å |
| 524 | L | 46.1 | Very low | 56 | Low | 96 Ų | 96 | 102.4 Ų | 102.4 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -51 | 176.6 | -168.4 | 83.2 | 0 | 0 | 0 | 110.8 | V520 L521 K526 L527 E528 | V520-L524 WeakPolarHBondContact O-CB 3.39Å; V520-L524 PolarHBondContact O-N 3.19Å; L521-L524 PolarHBondContact O-N 3.2Å; L524-K526 PolarHBondContact O-N 2.91Å; L524-L527 CarbonylContact O-C 3.59Å; L524-L527 WeakPolarHBondContact O-CA 3.22Å; L524-L527 WeakPolarHBondContact O-CB 3.26Å; L524-L527 PolarHBondContact O-N 3.1Å; L524-E528 PolarHBondContact O-N 3.39Å |
| 525 | Q | 51.2 | Low | 57.2 | Low | 117 Ų | 117 | 104.2 Ų | 104.2 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -35 | 179.5 | -171.8 | 176.4 | 23.1 | 0 | 0 | 112 | L521 Q529 | L521-Q525 WeakPolarHBondContact O-CB 3.46Å; L521-Q525 PolarHBondContact O-N 3.05Å; Q525-Q529 WeakPolarHBondContact O-CG 3.36Å; Q525-Q529 PolarHBondContact O-N 2.99Å |
| 526 | K | 56 | Low | 58.1 | Low | 118 Ų | 118 | 100.3 Ų | 100.3 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 172.1 | -177.3 | 171.3 | 178.1 | 174.9 | 0 | 112.4 | E522 L524 E528 Q529 E530 | E522-K526 WeakPolarHBondContact O-CB 3.44Å; E522-K526 PolarHBondContact O-N 3.15Å; L524-K526 PolarHBondContact O-N 2.91Å; K526-E528 VanDerWaalsContact C-N 3.32Å; K526-E528 PolarHBondContact O-N 3.01Å; K526-Q529 PolarHBondContact O-N 3.47Å; K526-Q529 VanDerWaalsContact O-N 3.17Å; K526-E530 WeakPolarHBondContact CE-OE1 3.34Å; K526-E530 PolarHBondContact O-N 2.83Å; K526-E530 VanDerWaalsContact O-N 3.17Å |
| 527 | L | 52.5 | Low | 58.3 | Low | 84 Ų | 84 | 97 Ų | 97 | 44% | 0.44 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -34 | 176.1 | -72.2 | 167.6 | 0 | 0 | 0 | 112.2 | R523 L524 Q529 E530 V531 | R523-L527 HydrophobicContact CG-CD1 4.41Å; R523-L527 WeakPolarHBondContact O-CG 3.49Å; R523-L527 PolarHBondContact O-N 3.33Å; L524-L527 CarbonylContact O-C 3.59Å; L524-L527 WeakPolarHBondContact O-CA 3.22Å; L524-L527 WeakPolarHBondContact O-CB 3.26Å; L524-L527 PolarHBondContact O-N 3.1Å; L527-Q529 VanDerWaalsContact C-N 3.31Å; L527-Q529 PolarHBondContact O-N 3.38Å; L527-E530 PolarHBondContact O-N 3.42Å; L527-V531 WeakPolarHBondContact O-CG2 3.45Å |
| 528 | E | 59.6 | Low | 59.1 | Low | 131 Ų | 131 | 100.6 Ų | 100.6 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.3 | -32.9 | 172 | -70.5 | -172.4 | 136.3 | 0 | 0 | 112.7 | L524 K526 V531 | L524-E528 PolarHBondContact O-N 3.39Å; K526-E528 VanDerWaalsContact C-N 3.32Å; K526-E528 PolarHBondContact O-N 3.01Å; E528-V531 PolarHBondContact O-N 2.71Å |
| 529 | Q | 62.8 | Low | 60.2 | Low | 137 Ų | 137 | 95.9 Ų | 95.9 | 64% | 0.64 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -75.3 | -21.2 | 175.1 | -71.4 | 172.8 | 12 | 0 | 0 | 113.7 | Q525 K526 L527 V531 | Q525-Q529 WeakPolarHBondContact O-CG 3.36Å; Q525-Q529 PolarHBondContact O-N 2.99Å; K526-Q529 PolarHBondContact O-N 3.47Å; K526-Q529 VanDerWaalsContact O-N 3.17Å; L527-Q529 VanDerWaalsContact C-N 3.31Å; L527-Q529 PolarHBondContact O-N 3.38Å; Q529-V531 PolarHBondContact O-N 3.22Å |
| 530 | E | 69.3 | Low | 61.2 | Low | 44 Ų | 44 | 96.9 Ų | 96.9 | 21% | 0.206 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -5.6 | 175.6 | -75.3 | -175.4 | -139.4 | 0 | 0 | 112.7 | L134 T178 K526 L527 | L134-E530 HydrophobicContact CD1-CB 4.04Å; L134-E530 WeakPolarHBondContact CD1-O 3.26Å; T178-E530 HydrophobicContact CG2-CB 4.04Å; T178-E530 HydrophobicContact CG2-CG 4.16Å; T178-E530 PolarHBondContact OG1-OE2 3.43Å; K526-E530 WeakPolarHBondContact CE-OE1 3.34Å; K526-E530 PolarHBondContact O-N 2.83Å; K526-E530 VanDerWaalsContact O-N 3.17Å; L527-E530 PolarHBondContact O-N 3.42Å |
| 531 | V | 74 | Confident | 62.5 | Low | 54 Ų | 54 | 100.5 Ų | 100.5 | 33% | 0.327 | 48% | 0.478 | S | S | . | . | trans | -103 | 133.2 | -178 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | K132 L134 L527 E528 Q529 | K132-V531 HydrophobicContact CB-CG1 3.6Å; K132-V531 HydrophobicContact CD-CG1 4.17Å; K132-V531 HydrophobicContact CG-CG1 3.92Å; L134-V531 HydrophobicContact CB-CG2 4.42Å; L527-V531 WeakPolarHBondContact O-CG2 3.45Å; E528-V531 PolarHBondContact O-N 2.71Å; Q529-V531 PolarHBondContact O-N 3.22Å | ||
| 532 | I | 79.2 | Confident | 63.3 | Low | 27 Ų | 27 | 96.5 Ų | 96.5 | 14% | 0.138 | 46% | 0.457 | C | S | . | . | B | Isolated β-bridge | trans | -125.7 | 151.4 | -176 | 55.8 | 170.4 | 0 | 0 | 0 | 112.2 | F122 I125 F133 V135 H180 | F122-I532 HydrophobicContact CD1-CD1 4.01Å; F122-I532 HydrophobicContact CE1-CD1 3.53Å; I125-I532 HydrophobicContact CD1-CD1 4.3Å; I125-I532 HydrophobicContact CG2-CB 4.47Å; I125-I532 HydrophobicContact CG2-CD1 3.91Å; I125-I532 HydrophobicContact CG2-CG1 3.92Å; F133-I532 HydrophobicContact CB-CG1 4.4Å; F133-I532 PolarHBondContact N-O 2.99Å; F133-I532 WeakPolarHBondContact O-CG1 3.14Å; F133-I532 PolarHBondContact O-N 3.35Å; V135-I532 HydrophobicContact CG2-CD1 4.05Å; H180-I532 HydrophobicContact CB-CG2 4.4Å |
| 533 | G | 67.9 | Low | 64 | Low | 30 Ų | 30 | 94.5 Ų | 94.5 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | trans | 164.4 | 145.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E535 | G533-E535 PolarHBondContact O-N 3.31Š| ||
| 534 | G | 62.2 | Low | 65.1 | Low | 26 Ų | 26 | 91.9 Ų | 91.9 | 27% | 0.268 | 44% | 0.443 | S | S | . | . | trans | 69.2 | -3.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | I125 A128 Q536 A537 | I125-G534 PolarHBondContact O-N 2.9Å; I125-G534 VanDerWaalsContact O-N 3.14Å; A128-G534 WeakPolarHBondContact O-CA 3.25Å; A128-G534 PolarHBondContact O-N 2.87Å; G534-Q536 PolarHBondContact O-N 3.41Å; G534-Q536 VanDerWaalsContact O-N 3.07Å; G534-A537 VanDerWaalsContact O-CB 3.29Å; G534-A537 WeakPolarHBondContact O-CB 2.86Å; G534-A537 PolarHBondContact O-N 3.01Å | ||
| 535 | E | 66.4 | Low | 66.4 | Low | 162 Ų | 162 | 93.4 Ų | 93.4 | 76% | 0.757 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -35.5 | -178.5 | -62.4 | -171.9 | 147.4 | 0 | 0 | 113.9 | G533 | G533-E535 PolarHBondContact O-N 3.31Š|
| 536 | Q | 64.4 | Low | 67.3 | Low | 73 Ų | 73 | 89.2 Ų | 89.2 | 34% | 0.341 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 20.1 | 178.7 | -54.3 | -162.2 | 37.4 | 0 | 0 | 113.2 | Q126 G534 R538 N539 L542 | Q126-Q536 HydrophobicContact CB-CB 4.26Å; Q126-Q536 CarbonylContact O-C 3.48Å; Q126-Q536 PolarHBondContact O-N 3.4Å; G534-Q536 PolarHBondContact O-N 3.41Å; G534-Q536 VanDerWaalsContact O-N 3.07Å; Q536-R538 PolarHBondContact O-N 2.92Å; Q536-N539 HydrophobicContact CB-CB 4.07Å; Q536-N539 WeakPolarHBondContact O-CB 3.35Å; Q536-N539 PolarHBondContact O-N 3.28Å; Q536-N539 PolarHBondContact OE1-ND2 2.6Å; Q536-N539 VanDerWaalsContact OE1-ND2 3.12Å; Q536-L542 HydrophobicContact CB-CD1 4.27Å |
| 537 | A | 62.6 | Low | 68.1 | Low | 7 Ų | 7 | 91.1 Ų | 91.1 | 6% | 0.058 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | Q126 E129 G534 N539 Q543 | Q126-A537 PolarHBondContact O-N 2.99Å; E129-A537 HydrophobicContact CG-CB 3.59Å; G534-A537 VanDerWaalsContact O-CB 3.29Å; G534-A537 WeakPolarHBondContact O-CB 2.86Å; G534-A537 PolarHBondContact O-N 3.01Å; A537-N539 VanDerWaalsContact C-N 3.33Å; A537-N539 PolarHBondContact O-N 3.16Å; A537-Q543 PolarHBondContact O-NE2 2.89Å |
| 538 | R | 63.6 | Low | 69.1 | Low | 230 Ų | 230 | 92.7 Ų | 92.7 | 87% | 0.868 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.9 | 176.2 | -61.1 | -178.8 | -179.3 | 172.7 | 2.3 | 114.4 | Q536 K540 | Q536-R538 PolarHBondContact O-N 2.92Å; R538-K540 PolarHBondContact O-N 2.89Å; R538-K540 VanDerWaalsContact O-N 3.13Å |
| 539 | N | 76.1 | Confident | 69.8 | Low | 53 Ų | 53 | 88.5 Ų | 88.5 | 28% | 0.283 | 41% | 0.41 | S | S | . | . | trans | -78.9 | 94.3 | -179.5 | -172.9 | -15.1 | 0 | 0 | 0 | 111.1 | Q536 A537 E541 L542 Q543 | Q536-N539 HydrophobicContact CB-CB 4.07Å; Q536-N539 WeakPolarHBondContact O-CB 3.35Å; Q536-N539 PolarHBondContact O-N 3.28Å; Q536-N539 PolarHBondContact OE1-ND2 2.6Å; Q536-N539 VanDerWaalsContact OE1-ND2 3.12Å; A537-N539 VanDerWaalsContact C-N 3.33Å; A537-N539 PolarHBondContact O-N 3.16Å; N539-E541 PolarHBondContact O-N 3.23Å; N539-E541 VanDerWaalsContact O-N 3.16Å; N539-E541 PolarHBondContact OD1-N 2.78Å; N539-E541 VanDerWaalsContact OD1-N 3.16Å; N539-L542 HydrophobicContact CB-CB 4.38Å; N539-L542 HydrophobicContact CB-CD1 4.3Å; N539-L542 HydrophobicContact CB-CG 4.45Å; N539-L542 WeakPolarHBondContact ND2-CD1 3.37Å; N539-L542 PolarHBondContact O-N 3.07Å; N539-L542 PolarHBondContact OD1-N 2.75Å; N539-Q543 WeakPolarHBondContact O-CG 3.26Å; N539-Q543 PolarHBondContact O-N 3.11Å; N539-Q543 VanDerWaalsContact O-N 3.07Å | ||
| 540 | K | 70.7 | Confident | 70.4 | Confident | 154 Ų | 154 | 85.6 Ų | 85.6 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.7 | -26.2 | -178.5 | -65.6 | -175.3 | 179.1 | -179 | 0 | 114.2 | R538 Q544 | R538-K540 PolarHBondContact O-N 2.89Å; R538-K540 VanDerWaalsContact O-N 3.13Å; K540-Q544 WeakPolarHBondContact O-CB 3.36Å; K540-Q544 VanDerWaalsContact O-CG 3.23Å; K540-Q544 WeakPolarHBondContact O-CG 3.48Å; K540-Q544 PolarHBondContact O-N 3.01Å |
| 541 | E | 73.5 | Confident | 70.7 | Confident | 156 Ų | 156 | 87.8 Ų | 87.8 | 73% | 0.729 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -75.5 | -44.6 | -179.7 | -169.9 | 174 | 176.5 | 0 | 0 | 111.3 | N539 Q544 R545 | N539-E541 PolarHBondContact O-N 3.23Å; N539-E541 VanDerWaalsContact O-N 3.16Å; N539-E541 PolarHBondContact OD1-N 2.78Å; N539-E541 VanDerWaalsContact OD1-N 3.16Å; E541-Q544 PolarHBondContact O-N 3.25Å; E541-R545 WeakPolarHBondContact O-CB 3.26Å; E541-R545 PolarHBondContact O-N 2.78Å |
| 542 | L | 67.7 | Low | 70.7 | Confident | 30 Ų | 30 | 89.9 Ų | 89.9 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 172.1 | -69.6 | 179.6 | 0 | 0 | 0 | 111.4 | Q536 N539 Q544 R545 H546 | Q536-L542 HydrophobicContact CB-CD1 4.27Å; N539-L542 HydrophobicContact CB-CB 4.38Å; N539-L542 HydrophobicContact CB-CD1 4.3Å; N539-L542 HydrophobicContact CB-CG 4.45Å; N539-L542 WeakPolarHBondContact ND2-CD1 3.37Å; N539-L542 PolarHBondContact O-N 3.07Å; N539-L542 PolarHBondContact OD1-N 2.75Å; L542-Q544 VanDerWaalsContact C-N 3.33Å; L542-Q544 PolarHBondContact O-N 2.78Å; L542-R545 PolarHBondContact O-N 2.92Å; L542-H546 WeakPolarHBondContact O-CB 3.4Å; L542-H546 PolarHBondContact O-N 3.11Å |
| 543 | Q | 68.6 | Low | 70 | Confident | 81 Ų | 81 | 88.7 Ų | 88.7 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.1 | -45 | 174.2 | -72 | -175.9 | -25 | 0 | 0 | 112.2 | A537 N539 W547 | A537-Q543 PolarHBondContact O-NE2 2.89Å; N539-Q543 WeakPolarHBondContact O-CG 3.26Å; N539-Q543 PolarHBondContact O-N 3.11Å; N539-Q543 VanDerWaalsContact O-N 3.07Å; Q543-W547 VanDerWaalsContact O-CB 3.31Å; Q543-W547 WeakPolarHBondContact O-CB 3.46Å; Q543-W547 PolarHBondContact O-N 3.19Å |
| 544 | Q | 72.1 | Confident | 70.2 | Confident | 119 Ų | 119 | 91.3 Ų | 91.3 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.4 | -42.7 | 176.9 | -77.7 | 177.4 | 25.9 | 0 | 0 | 112.1 | K540 E541 L542 W547 Q548 | K540-Q544 WeakPolarHBondContact O-CB 3.36Å; K540-Q544 VanDerWaalsContact O-CG 3.23Å; K540-Q544 WeakPolarHBondContact O-CG 3.48Å; K540-Q544 PolarHBondContact O-N 3.01Å; E541-Q544 PolarHBondContact O-N 3.25Å; L542-Q544 VanDerWaalsContact C-N 3.33Å; L542-Q544 PolarHBondContact O-N 2.78Å; Q544-W547 PolarHBondContact O-N 3.4Å; Q544-Q548 WeakPolarHBondContact O-CB 3.34Å; Q544-Q548 VanDerWaalsContact O-CG 3.23Å; Q544-Q548 WeakPolarHBondContact O-CG 3.31Å; Q544-Q548 PolarHBondContact O-N 3.26Å |
| 545 | R | 73.4 | Confident | 70.7 | Confident | 128 Ų | 128 | 95.1 Ų | 95.1 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.8 | -169.9 | 179.2 | -174.1 | -176.9 | -0.4 | 112 | E541 L542 Q548 R549 | E541-R545 WeakPolarHBondContact O-CB 3.26Å; E541-R545 PolarHBondContact O-N 2.78Å; L542-R545 PolarHBondContact O-N 2.92Å; R545-Q548 PolarHBondContact O-N 3Å; R545-R549 PolarHBondContact O-N 3.22Å; R545-R549 VanDerWaalsContact O-N 3.07Å |
| 546 | H | 70.3 | Confident | 70.7 | Confident | 29 Ų | 29 | 90.8 Ų | 90.8 | 13% | 0.134 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 175.1 | -166.8 | -98 | 0 | 0 | 0 | 111.2 | Y73 E77 H120 L542 Q548 R549 K550 | Y73-H546 PolarHBondContact OH-CE1 2.88Å; Y73-H546 VanDerWaalsContact OH-CE1 3.32Å; Y73-H546 PolarHBondContact OH-NE2 3.39Å; Y73-H546 VanDerWaalsContact OH-NE2 3.09Å; E77-H546 IonicContact OE1-CE1 2.66Å; H120-H546 AromaticContact NE2-NE2 3.88Å; L542-H546 WeakPolarHBondContact O-CB 3.4Å; L542-H546 PolarHBondContact O-N 3.11Å; H546-Q548 VanDerWaalsContact C-N 3.34Å; H546-Q548 PolarHBondContact O-N 3.49Å; H546-R549 PolarHBondContact O-N 3.37Å; H546-K550 PolarHBondContact O-N 3.34Å |
| 547 | W | 73.6 | Confident | 70.7 | Confident | 159 Ų | 159 | 93.2 Ų | 93.2 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.2 | -39.2 | 177.3 | -176.7 | 87.4 | 0 | 0 | 0 | 113 | Q543 Q544 K551 | Q543-W547 VanDerWaalsContact O-CB 3.31Å; Q543-W547 WeakPolarHBondContact O-CB 3.46Å; Q543-W547 PolarHBondContact O-N 3.19Å; Q544-W547 PolarHBondContact O-N 3.4Å; W547-K551 HydrophobicContact CE3-CD 4.39Å; W547-K551 HydrophobicContact CH2-CD 3.6Å; W547-K551 HydrophobicContact CZ2-CD 3.91Å; W547-K551 HydrophobicContact CZ3-CD 3.84Å; W547-K551 WeakPolarHBondContact O-CB 3.38Å; W547-K551 PolarHBondContact O-N 2.94Å |
| 548 | Q | 74.1 | Confident | 71 | Confident | 116 Ų | 116 | 95.2 Ų | 95.2 | 54% | 0.542 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 174.6 | -75.6 | 172.5 | 17.7 | 0 | 0 | 111.9 | Q544 R545 H546 F552 | Q544-Q548 WeakPolarHBondContact O-CB 3.34Å; Q544-Q548 VanDerWaalsContact O-CG 3.23Å; Q544-Q548 WeakPolarHBondContact O-CG 3.31Å; Q544-Q548 PolarHBondContact O-N 3.26Å; R545-Q548 PolarHBondContact O-N 3Å; H546-Q548 VanDerWaalsContact C-N 3.34Å; H546-Q548 PolarHBondContact O-N 3.49Å; Q548-F552 WeakPolarHBondContact O-CB 3.47Å; Q548-F552 PolarHBondContact O-N 2.87Å |
| 549 | R | 72.9 | Confident | 71.3 | Confident | 44 Ų | 44 | 89.4 Ų | 89.4 | 17% | 0.166 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 175.8 | -78.1 | 174.1 | 162.2 | 159.7 | -7.8 | 111.5 | Y73 E123 R545 H546 F552 A553 | Y73-R549 HydrophobicContact CE2-CB 4Å; E123-R549 IonicContact OE1-CZ 2.7Å; E123-R549 IonicContact OE1-NH1 3.89Å; E123-R549 PolarHBondContact OE1-NH1 2.87Å; E123-R549 IonicContact OE2-CZ 3.41Å; E123-R549 IonicContact OE2-NH1 3.84Å; E123-R549 PolarHBondContact OE2-NH1 2.88Å; R545-R549 PolarHBondContact O-N 3.22Å; R545-R549 VanDerWaalsContact O-N 3.07Å; H546-R549 PolarHBondContact O-N 3.37Å; R549-F552 PolarHBondContact O-N 3.11Å; R549-A553 PolarHBondContact O-N 2.93Å |
| 550 | K | 75.1 | Confident | 70.6 | Confident | 75 Ų | 75 | 89.1 Ų | 89.1 | 33% | 0.326 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 178.5 | -167.7 | 160 | -172 | 162.1 | 0 | 112.1 | Y73 E77 H546 F552 A553 D554 | Y73-K550 HydrophobicContact CE1-CB 4.01Å; Y73-K550 HydrophobicContact CE1-CG 4.26Å; E77-K550 WeakPolarHBondContact OE1-CD 3.29Å; E77-K550 WeakPolarHBondContact OE1-CE 3.29Å; E77-K550 IonicContact OE1-NZ 3.94Å; E77-K550 PolarHBondContact OE1-NZ 2.76Å; H546-K550 PolarHBondContact O-N 3.34Å; K550-F552 VanDerWaalsContact C-N 3.33Å; K550-F552 PolarHBondContact O-N 3.06Å; K550-A553 PolarHBondContact O-N 2.6Å; K550-D554 PolarHBondContact O-N 2.78Å |
| 551 | K | 76.9 | Confident | 70.3 | Confident | 90 Ų | 90 | 86.5 Ų | 86.5 | 39% | 0.391 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 177.1 | -179.3 | 175.4 | 176.5 | -178.8 | 0 | 112.9 | W547 Q555 | W547-K551 HydrophobicContact CE3-CD 4.39Å; W547-K551 HydrophobicContact CH2-CD 3.6Å; W547-K551 HydrophobicContact CZ2-CD 3.91Å; W547-K551 HydrophobicContact CZ3-CD 3.84Å; W547-K551 WeakPolarHBondContact O-CB 3.38Å; W547-K551 PolarHBondContact O-N 2.94Å; K551-Q555 HydrophobicContact CG-CG 4.41Å; K551-Q555 WeakPolarHBondContact O-CB 3.39Å; K551-Q555 VanDerWaalsContact O-CG 3.26Å; K551-Q555 WeakPolarHBondContact O-CG 3.4Å; K551-Q555 PolarHBondContact O-N 3.04Å |
| 552 | F | 73.4 | Confident | 69.7 | Low | 98 Ų | 98 | 83.5 Ų | 83.5 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -47 | 176.3 | -179.4 | -93.6 | 0 | 0 | 0 | 111.3 | E70 Q548 R549 K550 D554 Q555 R556 | E70-F552 HydrophobicContact CG-CE1 4.31Å; Q548-F552 WeakPolarHBondContact O-CB 3.47Å; Q548-F552 PolarHBondContact O-N 2.87Å; R549-F552 PolarHBondContact O-N 3.11Å; K550-F552 VanDerWaalsContact C-N 3.33Å; K550-F552 PolarHBondContact O-N 3.06Å; F552-D554 PolarHBondContact O-N 3.23Å; F552-Q555 PolarHBondContact O-N 3.38Å; F552-R556 WeakPolarHBondContact O-CB 3.43Å; F552-R556 PolarHBondContact O-N 3.5Å |
| 553 | A | 65 | Low | 69.4 | Low | 3 Ų | 3 | 83.6 Ų | 83.6 | 3% | 0.025 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y73 P74 R549 K550 R556 K557 | Y73-A553 HydrophobicContact CD1-CB 3.97Å; P74-A553 HydrophobicContact CG-CB 4.27Å; R549-A553 PolarHBondContact O-N 2.93Å; K550-A553 PolarHBondContact O-N 2.6Å; A553-R556 PolarHBondContact O-N 2.98Å; A553-K557 VanDerWaalsContact O-CB 3.3Å; A553-K557 WeakPolarHBondContact O-CB 3.43Å; A553-K557 PolarHBondContact O-N 2.87Å |
| 554 | D | 71.7 | Confident | 68.8 | Low | 85 Ų | 85 | 82.9 Ų | 82.9 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 177.1 | -75.4 | -38.2 | 0 | 0 | 0 | 112.7 | K550 F552 R556 K557 A558 | K550-D554 PolarHBondContact O-N 2.78Å; F552-D554 PolarHBondContact O-N 3.23Å; D554-R556 VanDerWaalsContact C-N 3.35Å; D554-R556 PolarHBondContact O-N 2.84Å; D554-K557 PolarHBondContact O-N 3Å; D554-A558 PolarHBondContact O-N 3.38Å |
| 555 | Q | 72.6 | Confident | 68.1 | Low | 106 Ų | 106 | 80.1 Ų | 80.1 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.8 | -76.9 | -178.2 | -31.4 | 0 | 0 | 111.9 | K551 F552 A558 Q559 | K551-Q555 HydrophobicContact CG-CG 4.41Å; K551-Q555 WeakPolarHBondContact O-CB 3.39Å; K551-Q555 VanDerWaalsContact O-CG 3.26Å; K551-Q555 WeakPolarHBondContact O-CG 3.4Å; K551-Q555 PolarHBondContact O-N 3.04Å; F552-Q555 PolarHBondContact O-N 3.38Å; Q555-A558 PolarHBondContact O-N 2.66Å; Q555-Q559 WeakPolarHBondContact O-CG 3.49Å; Q555-Q559 PolarHBondContact O-N 3.35Å |
| 556 | R | 67.1 | Low | 67.3 | Low | 71 Ų | 71 | 80.2 Ų | 80.2 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 179.2 | -158 | 69.3 | 160.3 | 113 | 18.2 | 112.2 | E70 F552 A553 D554 A558 Q559 L560 | E70-R556 HydrophobicContact CG-CG 4.13Å; E70-R556 IonicContact OE1-CZ 3.04Å; E70-R556 IonicContact OE1-NE 3.19Å; E70-R556 PolarHBondContact OE1-NE 3.33Å; E70-R556 IonicContact OE1-NH2 3.59Å; E70-R556 PolarHBondContact OE1-NH2 2.89Å; F552-R556 WeakPolarHBondContact O-CB 3.43Å; F552-R556 PolarHBondContact O-N 3.5Å; A553-R556 PolarHBondContact O-N 2.98Å; D554-R556 VanDerWaalsContact C-N 3.35Å; D554-R556 PolarHBondContact O-N 2.84Å; R556-A558 VanDerWaalsContact C-N 3.33Å; R556-A558 PolarHBondContact O-N 3.39Å; R556-Q559 WeakPolarHBondContact O-CB 3.32Å; R556-Q559 PolarHBondContact O-N 2.98Å; R556-L560 PolarHBondContact O-N 2.91Å |
| 557 | K | 64.5 | Low | 66.2 | Low | 124 Ų | 124 | 81.1 Ų | 81.1 | 54% | 0.539 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 172 | 179.9 | -174.7 | 175.2 | -170.2 | 0 | 111.5 | A553 D554 L560 I561 | A553-K557 VanDerWaalsContact O-CB 3.3Å; A553-K557 WeakPolarHBondContact O-CB 3.43Å; A553-K557 PolarHBondContact O-N 2.87Å; D554-K557 PolarHBondContact O-N 3Å; K557-L560 PolarHBondContact O-N 2.78Å; K557-I561 HydrophobicContact CG-CD1 4.06Å; K557-I561 WeakPolarHBondContact O-CD1 3.36Å; K557-I561 VanDerWaalsContact O-CG1 3.28Å; K557-I561 WeakPolarHBondContact O-CG1 3.23Å; K557-I561 PolarHBondContact O-N 3.13Å |
| 558 | A | 68.1 | Low | 64.8 | Low | 48 Ų | 48 | 76.8 Ų | 76.8 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D554 Q555 R556 L560 I561 N562 | D554-A558 PolarHBondContact O-N 3.38Å; Q555-A558 PolarHBondContact O-N 2.66Å; R556-A558 VanDerWaalsContact C-N 3.33Å; R556-A558 PolarHBondContact O-N 3.39Å; A558-L560 VanDerWaalsContact C-N 3.35Å; A558-L560 PolarHBondContact O-N 2.91Å; A558-I561 PolarHBondContact O-N 3.48Å; A558-N562 PolarHBondContact O-N 3.13Å; A558-N562 PolarHBondContact O-OD1 2.88Å |
| 559 | Q | 70.7 | Confident | 63.4 | Low | 109 Ų | 109 | 78.5 Ų | 78.5 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 173.9 | -72.9 | 174.7 | -0.3 | 0 | 0 | 112.3 | Q555 R556 N562 A563 | Q555-Q559 WeakPolarHBondContact O-CG 3.49Å; Q555-Q559 PolarHBondContact O-N 3.35Å; R556-Q559 WeakPolarHBondContact O-CB 3.32Å; R556-Q559 PolarHBondContact O-N 2.98Å; Q559-N562 PolarHBondContact O-N 2.94Å; Q559-A563 WeakPolarHBondContact O-CB 3.29Å; Q559-A563 PolarHBondContact O-N 3.39Å |
| 560 | L | 61.4 | Low | 62.2 | Low | 47 Ų | 47 | 82 Ų | 82 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 179.1 | -178.9 | 61.3 | 0 | 0 | 0 | 112 | C35 D55 R556 K557 A558 N562 A563 L564 | C35-L560 HydrophobicContact CB-CD1 4.37Å; D55-L560 WeakPolarHBondContact O-CD2 3.4Å; R556-L560 PolarHBondContact O-N 2.91Å; K557-L560 PolarHBondContact O-N 2.78Å; A558-L560 VanDerWaalsContact C-N 3.35Å; A558-L560 PolarHBondContact O-N 2.91Å; L560-N562 VanDerWaalsContact C-N 3.34Å; L560-N562 PolarHBondContact O-N 3.32Å; L560-A563 PolarHBondContact O-N 3.18Å; L560-L564 HydrophobicContact CD1-CD1 4.06Å; L560-L564 HydrophobicContact CD1-CG 4.19Å; L560-L564 HydrophobicContact CG-CD1 3.96Å; L560-L564 WeakPolarHBondContact O-CB 3.37Å; L560-L564 VanDerWaalsContact O-CG 3.26Å; L560-L564 WeakPolarHBondContact O-CG 3.27Å; L560-L564 PolarHBondContact O-N 2.9Å |
| 561 | I | 63.8 | Low | 60.6 | Low | 98 Ų | 98 | 82.8 Ų | 82.8 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 174.5 | -71.2 | 164.7 | 0 | 0 | 0 | 110.6 | K557 A558 L564 S565 | K557-I561 HydrophobicContact CG-CD1 4.06Å; K557-I561 WeakPolarHBondContact O-CD1 3.36Å; K557-I561 VanDerWaalsContact O-CG1 3.28Å; K557-I561 WeakPolarHBondContact O-CG1 3.23Å; K557-I561 PolarHBondContact O-N 3.13Å; A558-I561 PolarHBondContact O-N 3.48Å; I561-L564 PolarHBondContact O-N 2.96Å; I561-S565 WeakPolarHBondContact O-CB 3.35Å; I561-S565 PolarHBondContact O-N 3.48Å; I561-S565 PolarHBondContact O-OG 3.49Å |
| 562 | N | 61.6 | Low | 58.9 | Low | 94 Ų | 94 | 84.2 Ų | 84.2 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -49.6 | 177.8 | -70.6 | 12.7 | 0 | 0 | 0 | 111.6 | A558 Q559 L560 L564 S565 E566 | A558-N562 PolarHBondContact O-N 3.13Å; A558-N562 PolarHBondContact O-OD1 2.88Å; Q559-N562 PolarHBondContact O-N 2.94Å; L560-N562 VanDerWaalsContact C-N 3.34Å; L560-N562 PolarHBondContact O-N 3.32Å; N562-L564 VanDerWaalsContact C-N 3.28Å; N562-L564 PolarHBondContact O-N 3.21Å; N562-S565 WeakPolarHBondContact CA-OG 3.2Å; N562-S565 WeakPolarHBondContact O-CA 3.39Å; N562-S565 PolarHBondContact O-N 3.38Å; N562-S565 PolarHBondContact O-OG 3.44Å; N562-E566 PolarHBondContact O-N 2.91Å |
| 563 | A | 59.8 | Low | 57.5 | Low | 31 Ų | 31 | 82 Ų | 82 | 26% | 0.256 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.1 | -34.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q559 L560 | Q559-A563 WeakPolarHBondContact O-CB 3.29Å; Q559-A563 PolarHBondContact O-N 3.39Å; L560-A563 PolarHBondContact O-N 3.18Å |
| 564 | L | 56.6 | Low | 56.5 | Low | 66 Ų | 66 | 88 Ų | 88 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.9 | -27.3 | 173 | -70.1 | 170.9 | 0 | 0 | 0 | 112.8 | L560 I561 N562 | L560-L564 HydrophobicContact CD1-CD1 4.06Å; L560-L564 HydrophobicContact CD1-CG 4.19Å; L560-L564 HydrophobicContact CG-CD1 3.96Å; L560-L564 WeakPolarHBondContact O-CB 3.37Å; L560-L564 VanDerWaalsContact O-CG 3.26Å; L560-L564 WeakPolarHBondContact O-CG 3.27Å; L560-L564 PolarHBondContact O-N 2.9Å; I561-L564 PolarHBondContact O-N 2.96Å; N562-L564 VanDerWaalsContact C-N 3.28Å; N562-L564 PolarHBondContact O-N 3.21Å |
| 565 | S | 57.9 | Low | 55.3 | Low | 62 Ų | 62 | 90.7 Ų | 90.7 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.6 | -32.7 | 174.1 | 70.3 | 0 | 0 | 0 | 0 | 113 | I561 N562 D567 S568 | I561-S565 WeakPolarHBondContact O-CB 3.35Å; I561-S565 PolarHBondContact O-N 3.48Å; I561-S565 PolarHBondContact O-OG 3.49Å; N562-S565 WeakPolarHBondContact CA-OG 3.2Å; N562-S565 WeakPolarHBondContact O-CA 3.39Å; N562-S565 PolarHBondContact O-N 3.38Å; N562-S565 PolarHBondContact O-OG 3.44Å; S565-D567 VanDerWaalsContact C-N 3.31Å; S565-D567 PolarHBondContact O-N 3.19Å; S565-S568 WeakPolarHBondContact O-CA 3.48Å; S565-S568 WeakPolarHBondContact O-CB 3.16Å; S565-S568 PolarHBondContact O-N 3.38Å |
| 566 | E | 55.5 | Low | 54.2 | Low | 130 Ų | 130 | 93.2 Ų | 93.2 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -37.8 | 172.9 | -70.4 | 170.8 | -164.5 | 0 | 0 | 111.6 | N562 S568 E569 | N562-E566 PolarHBondContact O-N 2.91Å; E566-S568 PolarHBondContact O-N 2.7Å; E566-E569 PolarHBondContact O-N 3.23Å |
| 567 | D | 47.8 | Very low | 53.5 | Low | 47 Ų | 47 | 95.1 Ų | 95.1 | 25% | 0.251 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13 | 172.6 | -89.2 | -0 | 0 | 0 | 0 | 113.7 | R34 Q36 S565 E569 | R34-D567 IonicContact CZ-OD1 2.59Å; R34-D567 IonicContact NH1-OD1 2.68Å; R34-D567 PolarHBondContact NH1-OD1 2.84Å; R34-D567 IonicContact NH1-OD2 2.67Å; R34-D567 PolarHBondContact NH1-OD2 2.87Å; R34-D567 IonicContact NH2-OD1 3.63Å; Q36-D567 PolarHBondContact NE2-OD2 3.18Å; S565-D567 VanDerWaalsContact C-N 3.31Å; S565-D567 PolarHBondContact O-N 3.19Å; D567-E569 VanDerWaalsContact C-N 3.32Å |
| 568 | S | 45.5 | Very low | 53 | Low | 69 Ų | 69 | 95 Ų | 95 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31.2 | 169.9 | -163.8 | 0 | 0 | 0 | 0 | 111.6 | S565 E566 E570 S571 | S565-S568 WeakPolarHBondContact O-CA 3.48Å; S565-S568 WeakPolarHBondContact O-CB 3.16Å; S565-S568 PolarHBondContact O-N 3.38Å; E566-S568 PolarHBondContact O-N 2.7Å; S568-E570 PolarHBondContact O-N 2.89Å; S568-S571 WeakPolarHBondContact O-CB 3.41Å; S568-S571 PolarHBondContact O-N 2.82Å |
| 569 | E | 44 | Very low | 53 | Low | 151 Ų | 151 | 95.6 Ų | 95.6 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16.2 | -179.5 | -59.3 | -165.4 | 165.4 | 0 | 0 | 113.1 | E566 D567 S571 D572 | E566-E569 PolarHBondContact O-N 3.23Å; D567-E569 VanDerWaalsContact C-N 3.32Å; E569-S571 PolarHBondContact O-N 3.38Å; E569-D572 PolarHBondContact O-N 3.43Å |
| 570 | E | 48 | Very low | 52.9 | Low | 117 Ų | 117 | 97.4 Ų | 97.4 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.8 | 166.5 | -86.5 | -128 | 136.1 | 0 | 0 | 112.1 | S568 R595 K599 | S568-E570 PolarHBondContact O-N 2.89Å; E570-R595 IonicContact OE1-NH1 3.91Å; E570-K599 IonicContact OE2-NZ 3.83Å |
| 571 | S | 41.7 | Very low | 53.8 | Low | 93 Ų | 93 | 97.7 Ų | 97.7 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -33.9 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | S568 E569 S573 | S568-S571 WeakPolarHBondContact O-CB 3.41Å; S568-S571 PolarHBondContact O-N 2.82Å; E569-S571 PolarHBondContact O-N 3.38Å; S571-S573 PolarHBondContact O-N 2.92Å |
| 572 | D | 40.2 | Very low | 54.2 | Low | 120 Ų | 120 | 98.8 Ų | 98.8 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | trans | -86.7 | 21.4 | -178.1 | -78.8 | -13.2 | 0 | 0 | 0 | 114.1 | E569 V574 L575 | E569-D572 PolarHBondContact O-N 3.43Å; D572-V574 PolarHBondContact O-N 2.64Å; D572-L575 PolarHBondContact O-N 2.68Å | ||
| 573 | S | 43.7 | Very low | 54.8 | Low | 51 Ų | 51 | 101.2 Ų | 101.2 | 36% | 0.357 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 17.5 | 167.8 | -177.6 | 0 | 0 | 0 | 0 | 114.3 | S571 L575 K577 | S571-S573 PolarHBondContact O-N 2.92Å; S573-L575 VanDerWaalsContact C-N 3.31Å; S573-K577 PolarHBondContact OG-NZ 3.07Å |
| 574 | V | 45.1 | Very low | 55.6 | Low | 128 Ų | 128 | 104 Ų | 104 | 78% | 0.776 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 2.7 | 163.2 | -162.1 | 0 | 0 | 0 | 0 | 111.3 | D572 L576 | D572-V574 PolarHBondContact O-N 2.64Å; V574-L576 PolarHBondContact O-N 3.48Å |
| 575 | L | 45.8 | Very low | 56.6 | Low | 143 Ų | 143 | 103.9 Ų | 103.9 | 75% | 0.749 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -49.7 | 134.2 | 160.6 | -160.9 | 77.8 | 0 | 0 | 0 | 109.9 | D572 S573 K577 | D572-L575 PolarHBondContact O-N 2.68Å; S573-L575 VanDerWaalsContact C-N 3.31Å; L575-K577 PolarHBondContact O-N 3.22Å |
| 576 | L | 49.3 | Very low | 57.7 | Low | 158 Ų | 158 | 104.9 Ų | 104.9 | 83% | 0.827 | 56% | 0.558 | S | S | * | * | trans | -67.4 | 86.4 | -167.6 | -127.8 | 78.8 | 0 | 0 | 0 | 112.3 | V574 V578 | V574-L576 PolarHBondContact O-N 3.48Å; L576-V578 PolarHBondContact O-N 3.36Å | ||
| 577 | K | 53.4 | Low | 58.8 | Low | 112 Ų | 112 | 105 Ų | 105 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | trans | -70.5 | 94.7 | 176.3 | -74.7 | 173.1 | 179.2 | 170.8 | 0 | 110.1 | S573 L575 Y579 | S573-K577 PolarHBondContact OG-NZ 3.07Å; L575-K577 PolarHBondContact O-N 3.22Å; K577-Y579 HydrophobicContact CB-CE1 4.08Å; K577-Y579 HydrophobicContact CB-CE2 3.9Å; K577-Y579 WeakPolarHBondContact O-CD2 3.49Å; K577-Y579 WeakPolarHBondContact O-CE2 3.22Å; K577-Y579 PolarHBondContact O-N 2.62Å; K577-Y579 VanDerWaalsContact O-N 3.1Å | ||
| 578 | V | 53.7 | Low | 60.1 | Low | 120 Ų | 120 | 103.7 Ų | 103.7 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | trans | -71.8 | 96 | 168.1 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | L576 | L576-V578 PolarHBondContact O-N 3.36Š| ||
| 579 | Y | 66.9 | Low | 61.6 | Low | 62 Ų | 62 | 105.9 Ų | 105.9 | 24% | 0.243 | 56% | 0.555 | C | S | . | * | trans | -73 | 138.3 | 173.5 | -57.6 | -75.7 | 0 | 0 | 0 | 110 | K577 S581 E584 E585 A588 | K577-Y579 HydrophobicContact CB-CE1 4.08Å; K577-Y579 HydrophobicContact CB-CE2 3.9Å; K577-Y579 WeakPolarHBondContact O-CD2 3.49Å; K577-Y579 WeakPolarHBondContact O-CE2 3.22Å; K577-Y579 PolarHBondContact O-N 2.62Å; K577-Y579 VanDerWaalsContact O-N 3.1Å; Y579-S581 VanDerWaalsContact C-N 3.28Å; Y579-E584 HydrophobicContact CD1-CG 4.06Å; Y579-E585 HydrophobicContact CD1-CB 4.39Å; Y579-E585 HydrophobicContact CD2-CB 3.59Å; Y579-E585 HydrophobicContact CD2-CG 3.6Å; Y579-E585 HydrophobicContact CE2-CB 4.23Å; Y579-E585 HydrophobicContact CE2-CG 3.89Å; Y579-E585 HydrophobicContact CG-CB 3.69Å; Y579-E585 HydrophobicContact CG-CG 4.23Å; Y579-A588 HydrophobicContact CD1-CB 4.42Å; Y579-A588 HydrophobicContact CE1-CB 3.5Å; Y579-A588 VanDerWaalsContact CE1-CB 3.5Å | ||
| 580 | N | 69.3 | Low | 63.5 | Low | 146 Ų | 146 | 101.9 Ų | 101.9 | 78% | 0.781 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -83.2 | -9 | -179.2 | -60.2 | -76.6 | 0 | 0 | 0 | 112.2 | E584 | N580-E584 PolarHBondContact N-OE2 2.98Š|
| 581 | S | 79.8 | Confident | 65 | Low | 54 Ų | 54 | 100.8 Ų | 100.8 | 38% | 0.378 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -152.9 | 148.8 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 112 | Y579 Q583 E584 E585 | Y579-S581 VanDerWaalsContact C-N 3.28Å; S581-Q583 PolarHBondContact O-N 3.18Å; S581-Q583 PolarHBondContact OG-N 3.03Å; S581-Q583 PolarHBondContact OG-OE1 2.9Å; S581-E584 WeakPolarHBondContact O-CB 3.32Å; S581-E584 PolarHBondContact O-N 2.57Å; S581-E585 PolarHBondContact O-N 2.87Å |
| 582 | I | 72.6 | Confident | 66.7 | Low | 121 Ų | 121 | 100 Ų | 100 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -34.9 | 174 | -61.8 | 172.7 | 0 | 0 | 0 | 110.6 | E584 E585 V586 | I582-E584 VanDerWaalsContact C-N 3.32Å; I582-E584 PolarHBondContact O-N 2.96Å; I582-E585 PolarHBondContact O-N 3.1Å; I582-V586 HydrophobicContact CG2-CG2 4.29Å; I582-V586 WeakPolarHBondContact O-CB 3.13Å; I582-V586 VanDerWaalsContact O-CG2 3.25Å; I582-V586 WeakPolarHBondContact O-CG2 3.38Å; I582-V586 PolarHBondContact O-N 2.59Å |
| 583 | Q | 75.4 | Confident | 68.5 | Low | 145 Ų | 145 | 98.9 Ų | 98.9 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -34.2 | 174.8 | -83.4 | 72.9 | 9.5 | 0 | 0 | 112.5 | S581 H587 | S581-Q583 PolarHBondContact O-N 3.18Å; S581-Q583 PolarHBondContact OG-N 3.03Å; S581-Q583 PolarHBondContact OG-OE1 2.9Å; Q583-H587 WeakPolarHBondContact O-CB 3.22Å; Q583-H587 PolarHBondContact O-N 3.17Å |
| 584 | E | 76.6 | Confident | 70.3 | Confident | 90 Ų | 90 | 99.2 Ų | 99.2 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.4 | -45 | 176.3 | -171.1 | -176.6 | -151.3 | 0 | 0 | 110.5 | Y579 N580 S581 I582 H587 A588 | Y579-E584 HydrophobicContact CD1-CG 4.06Å; N580-E584 PolarHBondContact N-OE2 2.98Å; S581-E584 WeakPolarHBondContact O-CB 3.32Å; S581-E584 PolarHBondContact O-N 2.57Å; I582-E584 VanDerWaalsContact C-N 3.32Å; I582-E584 PolarHBondContact O-N 2.96Å; E584-H587 PolarHBondContact O-N 3Å; E584-A588 WeakPolarHBondContact O-CB 3.27Å; E584-A588 PolarHBondContact O-N 2.61Å |
| 585 | E | 76.5 | Confident | 71.6 | Confident | 63 Ų | 63 | 99 Ų | 99 | 29% | 0.294 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.3 | -178.1 | -179.8 | -174.3 | 0 | 0 | 112 | Y579 S581 I582 A588 K589 | Y579-E585 HydrophobicContact CD1-CB 4.39Å; Y579-E585 HydrophobicContact CD2-CB 3.59Å; Y579-E585 HydrophobicContact CD2-CG 3.6Å; Y579-E585 HydrophobicContact CE2-CB 4.23Å; Y579-E585 HydrophobicContact CE2-CG 3.89Å; Y579-E585 HydrophobicContact CG-CB 3.69Å; Y579-E585 HydrophobicContact CG-CG 4.23Å; S581-E585 PolarHBondContact O-N 2.87Å; I582-E585 PolarHBondContact O-N 3.1Å; E585-A588 PolarHBondContact O-N 3.18Å; E585-K589 HydrophobicContact CG-CD 3.98Å; E585-K589 VanDerWaalsContact O-CB 3.31Å; E585-K589 WeakPolarHBondContact O-CB 3.41Å; E585-K589 WeakPolarHBondContact O-CG 3.47Å; E585-K589 PolarHBondContact O-N 2.88Å; E585-K589 VanDerWaalsContact OE1-CE 3.27Å; E585-K589 WeakPolarHBondContact OE1-CE 3.5Å; E585-K589 IonicContact OE1-NZ 3.55Å; E585-K589 PolarHBondContact OE1-NZ 3.37Å |
| 586 | V | 80.4 | Confident | 73 | Confident | 82 Ų | 82 | 96.2 Ų | 96.2 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 177.3 | 167.3 | 0 | 0 | 0 | 0 | 110.6 | I582 A588 K589 S590 | I582-V586 HydrophobicContact CG2-CG2 4.29Å; I582-V586 WeakPolarHBondContact O-CB 3.13Å; I582-V586 VanDerWaalsContact O-CG2 3.25Å; I582-V586 WeakPolarHBondContact O-CG2 3.38Å; I582-V586 PolarHBondContact O-N 2.59Å; V586-A588 PolarHBondContact O-N 2.9Å; V586-K589 PolarHBondContact O-N 2.93Å; V586-S590 WeakPolarHBondContact O-CB 3.29Å; V586-S590 PolarHBondContact O-N 2.9Å; V586-S590 PolarHBondContact O-OG 3.46Å |
| 587 | H | 78.5 | Confident | 74.5 | Confident | 132 Ų | 132 | 94.2 Ų | 94.2 | 61% | 0.611 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 177.3 | -178.7 | -99.1 | 0 | 0 | 0 | 112 | Q583 E584 S590 Q591 | Q583-H587 WeakPolarHBondContact O-CB 3.22Å; Q583-H587 PolarHBondContact O-N 3.17Å; E584-H587 PolarHBondContact O-N 3Å; H587-S590 PolarHBondContact O-N 3.08Å; H587-Q591 WeakPolarHBondContact O-CB 3.5Å; H587-Q591 PolarHBondContact O-N 3.27Å |
| 588 | A | 75.6 | Confident | 75.5 | Confident | 21 Ų | 21 | 93.1 Ų | 93.1 | 17% | 0.174 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y579 E584 E585 V586 Q591 I592 | Y579-A588 HydrophobicContact CD1-CB 4.42Å; Y579-A588 HydrophobicContact CE1-CB 3.5Å; Y579-A588 VanDerWaalsContact CE1-CB 3.5Å; E584-A588 WeakPolarHBondContact O-CB 3.27Å; E584-A588 PolarHBondContact O-N 2.61Å; E585-A588 PolarHBondContact O-N 3.18Å; V586-A588 PolarHBondContact O-N 2.9Å; A588-Q591 PolarHBondContact O-N 3.28Å; A588-I592 WeakPolarHBondContact O-CG1 3.12Å; A588-I592 PolarHBondContact O-N 3.37Å |
| 589 | K | 77.7 | Confident | 76.5 | Confident | 114 Ų | 114 | 94.1 Ų | 94.1 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.1 | -76 | 178.2 | 175.4 | 176 | 0 | 112.3 | E585 V586 I592 L593 | E585-K589 HydrophobicContact CG-CD 3.98Å; E585-K589 VanDerWaalsContact O-CB 3.31Å; E585-K589 WeakPolarHBondContact O-CB 3.41Å; E585-K589 WeakPolarHBondContact O-CG 3.47Å; E585-K589 PolarHBondContact O-N 2.88Å; E585-K589 VanDerWaalsContact OE1-CE 3.27Å; E585-K589 WeakPolarHBondContact OE1-CE 3.5Å; E585-K589 IonicContact OE1-NZ 3.55Å; E585-K589 PolarHBondContact OE1-NZ 3.37Å; V586-K589 PolarHBondContact O-N 2.93Å; K589-I592 PolarHBondContact O-N 3.08Å; K589-L593 WeakPolarHBondContact O-CB 3.44Å; K589-L593 PolarHBondContact O-N 3.41Å |
| 590 | S | 84 | Confident | 77 | Confident | 68 Ų | 68 | 95.3 Ų | 95.3 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 173.3 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | V586 H587 L593 S594 | V586-S590 WeakPolarHBondContact O-CB 3.29Å; V586-S590 PolarHBondContact O-N 2.9Å; V586-S590 PolarHBondContact O-OG 3.46Å; H587-S590 PolarHBondContact O-N 3.08Å; S590-L593 PolarHBondContact O-N 3.09Å; S590-S594 PolarHBondContact O-N 3.27Å |
| 591 | Q | 79 | Confident | 77.5 | Confident | 94 Ų | 94 | 93.1 Ų | 93.1 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 176.6 | -163 | -170.9 | 68.6 | 0 | 0 | 111.7 | H587 A588 L593 S594 R595 | H587-Q591 WeakPolarHBondContact O-CB 3.5Å; H587-Q591 PolarHBondContact O-N 3.27Å; A588-Q591 PolarHBondContact O-N 3.28Å; Q591-L593 VanDerWaalsContact C-N 3.35Å; Q591-S594 PolarHBondContact O-N 3.29Å; Q591-R595 WeakPolarHBondContact O-CG 3.44Å; Q591-R595 PolarHBondContact O-N 2.93Å |
| 592 | I | 77.2 | Confident | 77.3 | Confident | 75 Ų | 75 | 92.4 Ų | 92.4 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 173.7 | -67.9 | 164.3 | 0 | 0 | 0 | 110.3 | A588 K589 S594 R595 V596 | A588-I592 WeakPolarHBondContact O-CG1 3.12Å; A588-I592 PolarHBondContact O-N 3.37Å; K589-I592 PolarHBondContact O-N 3.08Å; I592-S594 VanDerWaalsContact C-N 3.34Å; I592-S594 PolarHBondContact O-N 2.87Å; I592-R595 PolarHBondContact O-N 3.27Å; I592-V596 HydrophobicContact CG2-CG2 4.32Å; I592-V596 WeakPolarHBondContact O-CG2 3.31Å; I592-V596 PolarHBondContact O-N 3.2Å |
| 593 | L | 77.7 | Confident | 77.4 | Confident | 98 Ų | 98 | 88.8 Ų | 88.8 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 179.2 | -177.3 | 137.8 | 0 | 0 | 0 | 112.1 | K589 S590 Q591 V596 Q597 | K589-L593 WeakPolarHBondContact O-CB 3.44Å; K589-L593 PolarHBondContact O-N 3.41Å; S590-L593 PolarHBondContact O-N 3.09Å; Q591-L593 VanDerWaalsContact C-N 3.35Å; L593-V596 PolarHBondContact O-N 2.92Å; L593-Q597 HydrophobicContact CD2-CG 4.47Å; L593-Q597 WeakPolarHBondContact O-CB 3.28Å; L593-Q597 VanDerWaalsContact O-CG 3.28Å; L593-Q597 WeakPolarHBondContact O-CG 3.21Å; L593-Q597 PolarHBondContact O-N 3.48Å |
| 594 | S | 81.3 | Confident | 77.6 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.8 | -53.7 | 169.8 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | S590 Q591 I592 V596 Q597 D598 | S590-S594 PolarHBondContact O-N 3.27Å; Q591-S594 PolarHBondContact O-N 3.29Å; I592-S594 VanDerWaalsContact C-N 3.34Å; I592-S594 PolarHBondContact O-N 2.87Å; S594-V596 PolarHBondContact O-N 3.49Å; S594-Q597 CarbonylContact O-C 3.58Å; S594-Q597 WeakPolarHBondContact O-CA 3.39Å; S594-Q597 WeakPolarHBondContact O-CB 3.38Å; S594-Q597 PolarHBondContact O-N 2.9Å; S594-D598 PolarHBondContact O-N 2.87Å; S594-D598 PolarHBondContact OG-OD2 2.86Å |
| 595 | R | 74.1 | Confident | 77.8 | Confident | 124 Ų | 124 | 84.9 Ų | 84.9 | 47% | 0.468 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.8 | -38 | 178.8 | -65.3 | 179.9 | -161.5 | -161.3 | 8.7 | 112.3 | E570 Q591 I592 K599 | E570-R595 IonicContact OE1-NH1 3.91Å; Q591-R595 WeakPolarHBondContact O-CG 3.44Å; Q591-R595 PolarHBondContact O-N 2.93Å; I592-R595 PolarHBondContact O-N 3.27Å; R595-K599 WeakPolarHBondContact O-CB 3.31Å; R595-K599 WeakPolarHBondContact O-CG 3.21Å; R595-K599 PolarHBondContact O-N 2.85Å |
| 596 | V | 73.9 | Confident | 77.9 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.1 | -39.8 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | I592 L593 S594 D598 L600 | I592-V596 HydrophobicContact CG2-CG2 4.32Å; I592-V596 WeakPolarHBondContact O-CG2 3.31Å; I592-V596 PolarHBondContact O-N 3.2Å; L593-V596 PolarHBondContact O-N 2.92Å; S594-V596 PolarHBondContact O-N 3.49Å; V596-D598 VanDerWaalsContact C-N 3.34Å; V596-L600 WeakPolarHBondContact O-CB 3.05Å; V596-L600 PolarHBondContact O-N 3.49Å |
| 597 | Q | 80.4 | Confident | 77.8 | Confident | 117 Ų | 117 | 86.2 Ų | 86.2 | 55% | 0.547 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 172.8 | -76.9 | 177.9 | -5.8 | 0 | 0 | 112.1 | L593 S594 L600 K601 | L593-Q597 HydrophobicContact CD2-CG 4.47Å; L593-Q597 WeakPolarHBondContact O-CB 3.28Å; L593-Q597 VanDerWaalsContact O-CG 3.28Å; L593-Q597 WeakPolarHBondContact O-CG 3.21Å; L593-Q597 PolarHBondContact O-N 3.48Å; S594-Q597 CarbonylContact O-C 3.58Å; S594-Q597 WeakPolarHBondContact O-CA 3.39Å; S594-Q597 WeakPolarHBondContact O-CB 3.38Å; S594-Q597 PolarHBondContact O-N 2.9Å; Q597-L600 CarbonylContact O-C 3.58Å; Q597-L600 PolarHBondContact O-N 3.28Å; Q597-K601 WeakPolarHBondContact O-CB 3.48Å; Q597-K601 PolarHBondContact O-N 3.25Å |
| 598 | D | 75.5 | Confident | 78 | Confident | 89 Ų | 89 | 86.7 Ų | 86.7 | 48% | 0.476 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.5 | -47.5 | 177.1 | -67.9 | -48.9 | 0 | 0 | 0 | 111.7 | S594 V596 L600 K601 A602 | S594-D598 PolarHBondContact O-N 2.87Å; S594-D598 PolarHBondContact OG-OD2 2.86Å; V596-D598 VanDerWaalsContact C-N 3.34Å; D598-L600 PolarHBondContact O-N 3.42Å; D598-K601 WeakPolarHBondContact O-CB 3.41Å; D598-K601 PolarHBondContact O-N 3.1Å; D598-K601 VanDerWaalsContact O-N 3.14Å; D598-A602 PolarHBondContact O-N 3.11Å |
| 599 | K | 74.4 | Confident | 78.1 | Confident | 140 Ų | 140 | 86.7 Ų | 86.7 | 61% | 0.609 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -56.8 | -38.6 | 171.5 | -73.7 | -178 | -179.1 | -174.5 | 0 | 111.2 | E570 R595 A603 | E570-K599 IonicContact OE2-NZ 3.83Å; R595-K599 WeakPolarHBondContact O-CB 3.31Å; R595-K599 WeakPolarHBondContact O-CG 3.21Å; R595-K599 PolarHBondContact O-N 2.85Å; K599-A603 WeakPolarHBondContact O-CB 3.49Å; K599-A603 PolarHBondContact O-N 3.4Å |
| 600 | L | 77.9 | Confident | 78 | Confident | 88 Ų | 88 | 85 Ų | 85 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75 | -29.5 | 177.1 | -177.4 | 143.7 | 0 | 0 | 0 | 113.6 | V596 Q597 D598 K604 | V596-L600 WeakPolarHBondContact O-CB 3.05Å; V596-L600 PolarHBondContact O-N 3.49Å; Q597-L600 CarbonylContact O-C 3.58Å; Q597-L600 PolarHBondContact O-N 3.28Å; D598-L600 PolarHBondContact O-N 3.42Å; L600-K604 HydrophobicContact CD2-CD 3.94Å; L600-K604 WeakPolarHBondContact O-CB 3.37Å; L600-K604 VanDerWaalsContact O-CG 3.26Å; L600-K604 WeakPolarHBondContact O-CG 3.48Å; L600-K604 PolarHBondContact O-N 3Å |
| 601 | K | 80 | Confident | 77.7 | Confident | 99 Ų | 99 | 87.5 Ų | 87.5 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.7 | -48 | 169.5 | -172.9 | -167.2 | 179.7 | -165.5 | 0 | 109.8 | E46 Q597 D598 K604 L605 | E46-K601 PolarHBondContact O-NZ 3.06Å; Q597-K601 WeakPolarHBondContact O-CB 3.48Å; Q597-K601 PolarHBondContact O-N 3.25Å; D598-K601 WeakPolarHBondContact O-CB 3.41Å; D598-K601 PolarHBondContact O-N 3.1Å; D598-K601 VanDerWaalsContact O-N 3.14Å; K601-K604 PolarHBondContact O-N 3.04Å; K601-L605 HydrophobicContact CG-CD1 4.36Å; K601-L605 WeakPolarHBondContact O-CG 3.42Å; K601-L605 PolarHBondContact O-N 3.04Å |
| 602 | A | 75.1 | Confident | 77.7 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P48 D598 K604 L605 E606 | P48-A602 HydrophobicContact CG-CB 4.35Å; D598-A602 PolarHBondContact O-N 3.11Å; A602-K604 VanDerWaalsContact C-N 3.31Å; A602-K604 PolarHBondContact O-N 3.17Å; A602-L605 WeakPolarHBondContact O-CB 3.47Å; A602-L605 PolarHBondContact O-N 2.88Å; A602-L605 VanDerWaalsContact O-N 3.1Å; A602-E606 PolarHBondContact O-N 3.11Å |
| 603 | A | 75.2 | Confident | 77.5 | Confident | 46 Ų | 46 | 84 Ų | 84 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K599 E606 I607 | K599-A603 WeakPolarHBondContact O-CB 3.49Å; K599-A603 PolarHBondContact O-N 3.4Å; A603-E606 PolarHBondContact O-N 3.39Å; A603-I607 VanDerWaalsContact O-CG1 3.27Å; A603-I607 WeakPolarHBondContact O-CG1 3.38Å; A603-I607 PolarHBondContact O-N 2.93Å |
| 604 | K | 79.2 | Confident | 77.3 | Confident | 130 Ų | 130 | 85.8 Ų | 85.8 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.4 | -34.1 | 174.7 | -77.6 | 175.3 | 178.5 | 179.8 | 0 | 113.3 | L600 K601 A602 R608 | L600-K604 HydrophobicContact CD2-CD 3.94Å; L600-K604 WeakPolarHBondContact O-CB 3.37Å; L600-K604 VanDerWaalsContact O-CG 3.26Å; L600-K604 WeakPolarHBondContact O-CG 3.48Å; L600-K604 PolarHBondContact O-N 3Å; K601-K604 PolarHBondContact O-N 3.04Å; A602-K604 VanDerWaalsContact C-N 3.31Å; A602-K604 PolarHBondContact O-N 3.17Å; K604-R608 PolarHBondContact O-N 3.13Å |
| 605 | L | 79.3 | Confident | 77 | Confident | 23 Ų | 23 | 87.5 Ų | 87.5 | 12% | 0.12 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69 | -44.7 | 172.4 | -71.6 | 167 | 0 | 0 | 0 | 110.7 | E47 P48 K601 A602 I607 R608 D609 | E47-L605 HydrophobicContact CB-CD1 4.41Å; E47-L605 HydrophobicContact CG-CD1 4.14Å; E47-L605 HydrophobicContact CG-CD2 4.31Å; P48-L605 HydrophobicContact CG-CD1 4.42Å; K601-L605 HydrophobicContact CG-CD1 4.36Å; K601-L605 WeakPolarHBondContact O-CG 3.42Å; K601-L605 PolarHBondContact O-N 3.04Å; A602-L605 WeakPolarHBondContact O-CB 3.47Å; A602-L605 PolarHBondContact O-N 2.88Å; A602-L605 VanDerWaalsContact O-N 3.1Å; L605-I607 PolarHBondContact O-N 3.18Å; L605-R608 WeakPolarHBondContact O-CB 3.43Å; L605-R608 PolarHBondContact O-N 2.72Å; L605-D609 PolarHBondContact O-N 3.43Å |
| 606 | E | 79.3 | Confident | 76.9 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 36% | 0.36 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 176.7 | 169.3 | 142.9 | -112 | 0 | 0 | 112.6 | R327 A602 A603 R608 D609 L610 | R327-E606 IonicContact CZ-OE1 3.66Å; R327-E606 IonicContact NE-OE1 2.93Å; R327-E606 IonicContact NH2-OE1 3.54Å; R327-E606 PolarHBondContact NH2-OE1 2.73Å; A602-E606 PolarHBondContact O-N 3.11Å; A603-E606 PolarHBondContact O-N 3.39Å; E606-R608 VanDerWaalsContact C-N 3.27Å; E606-R608 PolarHBondContact O-N 3.31Å; E606-D609 PolarHBondContact O-N 2.85Å; E606-L610 HydrophobicContact CG-CD1 3.69Å; E606-L610 HydrophobicContact CG-CG 4.21Å; E606-L610 WeakPolarHBondContact O-CB 3.48Å; E606-L610 WeakPolarHBondContact O-CG 3.37Å; E606-L610 PolarHBondContact O-N 2.85Å |
| 607 | I | 79 | Confident | 76.7 | Confident | 96 Ų | 96 | 85.3 Ų | 85.3 | 49% | 0.492 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.7 | -41.3 | 176.4 | -71.1 | 164.3 | 0 | 0 | 0 | 111.1 | A603 L605 Q611 | A603-I607 VanDerWaalsContact O-CG1 3.27Å; A603-I607 WeakPolarHBondContact O-CG1 3.38Å; A603-I607 PolarHBondContact O-N 2.93Å; L605-I607 PolarHBondContact O-N 3.18Å; I607-Q611 WeakPolarHBondContact O-CB 3.3Å; I607-Q611 VanDerWaalsContact O-CG 3.22Å; I607-Q611 WeakPolarHBondContact O-CG 3.35Å; I607-Q611 PolarHBondContact O-N 2.97Å |
| 608 | R | 83.1 | Confident | 76.5 | Confident | 141 Ų | 141 | 84.7 Ų | 84.7 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 176.2 | -176.5 | -172.9 | -62.9 | 139.3 | 1.1 | 111.6 | K604 L605 E606 L610 Q611 V612 | K604-R608 PolarHBondContact O-N 3.13Å; L605-R608 WeakPolarHBondContact O-CB 3.43Å; L605-R608 PolarHBondContact O-N 2.72Å; E606-R608 VanDerWaalsContact C-N 3.27Å; E606-R608 PolarHBondContact O-N 3.31Å; R608-L610 VanDerWaalsContact C-N 3.32Å; R608-L610 PolarHBondContact O-N 2.92Å; R608-Q611 WeakPolarHBondContact O-CB 3.48Å; R608-Q611 PolarHBondContact O-N 3.22Å; R608-V612 WeakPolarHBondContact O-CG2 3.43Å; R608-V612 PolarHBondContact O-N 3.39Å |
| 609 | D | 77.8 | Confident | 76.4 | Confident | 21 Ų | 21 | 84.2 Ų | 84.2 | 11% | 0.112 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.7 | -36.1 | -178.9 | -76.4 | 3 | 0 | 0 | 0 | 111.5 | K41 K50 L605 E606 V612 E613 | K41-D609 IonicContact NZ-OD1 2.66Å; K41-D609 PolarHBondContact NZ-OD1 2.95Å; K41-D609 IonicContact NZ-OD2 3.6Å; K41-D609 PolarHBondContact NZ-OD2 3.49Å; K50-D609 VanDerWaalsContact CE-OD2 3.24Å; K50-D609 WeakPolarHBondContact CE-OD2 2.93Å; K50-D609 IonicContact NZ-OD2 3.63Å; K50-D609 PolarHBondContact NZ-OD2 3.26Å; L605-D609 PolarHBondContact O-N 3.43Å; E606-D609 PolarHBondContact O-N 2.85Å; D609-V612 PolarHBondContact O-N 3.14Å; D609-E613 PolarHBondContact O-N 2.73Å |
| 610 | L | 75 | Confident | 76.1 | Confident | 79 Ų | 79 | 81 Ų | 81 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 172 | -73.3 | 169 | 0 | 0 | 0 | 112.3 | E606 R608 F614 | E606-L610 HydrophobicContact CG-CD1 3.69Å; E606-L610 HydrophobicContact CG-CG 4.21Å; E606-L610 WeakPolarHBondContact O-CB 3.48Å; E606-L610 WeakPolarHBondContact O-CG 3.37Å; E606-L610 PolarHBondContact O-N 2.85Å; R608-L610 VanDerWaalsContact C-N 3.32Å; R608-L610 PolarHBondContact O-N 2.92Å; L610-F614 VanDerWaalsContact O-CB 3.29Å; L610-F614 WeakPolarHBondContact O-CB 3.19Å; L610-F614 PolarHBondContact O-N 3.11Å |
| 611 | Q | 77.5 | Confident | 75.6 | Confident | 120 Ų | 120 | 82.6 Ų | 82.6 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 172.6 | -75.5 | 167.6 | -8.4 | 0 | 0 | 111 | I607 R608 F614 E615 | I607-Q611 WeakPolarHBondContact O-CB 3.3Å; I607-Q611 VanDerWaalsContact O-CG 3.22Å; I607-Q611 WeakPolarHBondContact O-CG 3.35Å; I607-Q611 PolarHBondContact O-N 2.97Å; R608-Q611 WeakPolarHBondContact O-CB 3.48Å; R608-Q611 PolarHBondContact O-N 3.22Å; Q611-F614 PolarHBondContact O-N 3.31Å; Q611-E615 VanDerWaalsContact O-CG 3.32Å; Q611-E615 WeakPolarHBondContact O-CG 3.25Å; Q611-E615 PolarHBondContact O-N 3.27Å |
| 612 | V | 79.4 | Confident | 75.4 | Confident | 72 Ų | 72 | 80.9 Ų | 80.9 | 44% | 0.436 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | R608 D609 F614 E615 L616 | R608-V612 WeakPolarHBondContact O-CG2 3.43Å; R608-V612 PolarHBondContact O-N 3.39Å; D609-V612 PolarHBondContact O-N 3.14Å; V612-F614 PolarHBondContact O-N 3.33Å; V612-E615 PolarHBondContact O-N 3.39Å; V612-L616 HydrophobicContact CG1-CD1 4.05Å; V612-L616 HydrophobicContact CG1-CG 4.48Å; V612-L616 VanDerWaalsContact O-CG 3.31Å; V612-L616 WeakPolarHBondContact O-CG 3.21Å; V612-L616 PolarHBondContact O-N 3.2Å |
| 613 | E | 72.9 | Confident | 75.3 | Confident | 25 Ų | 25 | 81.6 Ų | 81.6 | 12% | 0.117 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 173.9 | -84.2 | 169.6 | -154.7 | 0 | 0 | 111.8 | L323 R327 D609 E615 L616 E617 | L323-E613 WeakPolarHBondContact CD2-OE1 3.33Å; R327-E613 IonicContact CZ-OE1 2.97Å; R327-E613 IonicContact CZ-OE2 2.96Å; R327-E613 IonicContact NH1-OE1 2.73Å; R327-E613 PolarHBondContact NH1-OE1 2.91Å; R327-E613 IonicContact NH1-OE2 3.99Å; R327-E613 PolarHBondContact NH1-OE2 3.37Å; D609-E613 PolarHBondContact O-N 2.73Å; E613-E615 PolarHBondContact O-N 3.39Å; E613-L616 PolarHBondContact O-N 3.22Å; E613-E617 WeakPolarHBondContact O-CB 3.23Å; E613-E617 WeakPolarHBondContact O-CG 3.38Å; E613-E617 PolarHBondContact O-N 2.87Å |
| 614 | F | 74.1 | Confident | 75.1 | Confident | 134 Ų | 134 | 81.7 Ų | 81.7 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.3 | -37.6 | 176.3 | -179.9 | -101 | 0 | 0 | 0 | 112.7 | L610 Q611 V612 R618 | L610-F614 VanDerWaalsContact O-CB 3.29Å; L610-F614 WeakPolarHBondContact O-CB 3.19Å; L610-F614 PolarHBondContact O-N 3.11Å; Q611-F614 PolarHBondContact O-N 3.31Å; V612-F614 PolarHBondContact O-N 3.33Å; F614-R618 WeakPolarHBondContact O-CB 3.34Å; F614-R618 PolarHBondContact O-N 2.92Å |
| 615 | E | 73.7 | Confident | 75.1 | Confident | 94 Ų | 94 | 79.5 Ų | 79.5 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68 | -38.4 | 174.2 | -71.1 | -151.7 | 129.3 | 0 | 0 | 112.4 | Q611 V612 E613 R618 N619 | Q611-E615 VanDerWaalsContact O-CG 3.32Å; Q611-E615 WeakPolarHBondContact O-CG 3.25Å; Q611-E615 PolarHBondContact O-N 3.27Å; V612-E615 PolarHBondContact O-N 3.39Å; E613-E615 PolarHBondContact O-N 3.39Å; E615-R618 IonicContact OE1-CZ 2.93Å; E615-R618 IonicContact OE1-NH1 3.21Å; E615-R618 IonicContact OE1-NH2 2.78Å; E615-R618 PolarHBondContact OE1-NH2 2.87Å; E615-N619 VanDerWaalsContact O-CB 3.31Å; E615-N619 WeakPolarHBondContact O-CB 3.23Å; E615-N619 PolarHBondContact O-N 2.96Å; E615-N619 PolarHBondContact O-ND2 3.12Å; E615-N619 VanDerWaalsContact O-ND2 3.09Å; E615-N619 PolarHBondContact O-OD1 2.84Å |
| 616 | L | 72.8 | Confident | 75.3 | Confident | 87 Ų | 87 | 85.6 Ų | 85.6 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 173.5 | -71.6 | 169.1 | 0 | 0 | 0 | 111.2 | V612 E613 R618 N619 D620 | V612-L616 HydrophobicContact CG1-CD1 4.05Å; V612-L616 HydrophobicContact CG1-CG 4.48Å; V612-L616 VanDerWaalsContact O-CG 3.31Å; V612-L616 WeakPolarHBondContact O-CG 3.21Å; V612-L616 PolarHBondContact O-N 3.2Å; E613-L616 PolarHBondContact O-N 3.22Å; L616-R618 PolarHBondContact O-N 3.23Å; L616-N619 WeakPolarHBondContact O-CB 3.26Å; L616-N619 PolarHBondContact O-N 2.57Å; L616-N619 VanDerWaalsContact O-N 3.11Å; L616-D620 PolarHBondContact O-N 3.43Å |
| 617 | E | 68.8 | Low | 75.3 | Confident | 74 Ų | 74 | 84.4 Ų | 84.4 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 176 | -74.5 | 172.3 | -169.6 | 0 | 0 | 111.8 | R246 E613 N619 D620 Y621 | R246-E617 IonicContact NH2-OE1 2.76Å; R246-E617 PolarHBondContact NH2-OE1 3.37Å; E613-E617 WeakPolarHBondContact O-CB 3.23Å; E613-E617 WeakPolarHBondContact O-CG 3.38Å; E613-E617 PolarHBondContact O-N 2.87Å; E617-N619 VanDerWaalsContact C-N 3.27Å; E617-N619 PolarHBondContact O-N 3.11Å; E617-D620 PolarHBondContact O-N 3.39Å; E617-Y621 HydrophobicContact CB-CE2 4.34Å; E617-Y621 WeakPolarHBondContact O-CD2 3.38Å; E617-Y621 PolarHBondContact O-N 2.86Å |
| 618 | R | 76.3 | Confident | 75.2 | Confident | 104 Ų | 104 | 84.6 Ų | 84.6 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 173.3 | -174.9 | -169.1 | 67.7 | -158.2 | -9.5 | 111.6 | F614 E615 L616 L622 | F614-R618 WeakPolarHBondContact O-CB 3.34Å; F614-R618 PolarHBondContact O-N 2.92Å; E615-R618 IonicContact OE1-CZ 2.93Å; E615-R618 IonicContact OE1-NH1 3.21Å; E615-R618 IonicContact OE1-NH2 2.78Å; E615-R618 PolarHBondContact OE1-NH2 2.87Å; L616-R618 PolarHBondContact O-N 3.23Å; R618-L622 HydrophobicContact CG-CD1 4.11Å; R618-L622 WeakPolarHBondContact O-CB 3.36Å; R618-L622 VanDerWaalsContact O-CG 3.23Å; R618-L622 WeakPolarHBondContact O-CG 3.43Å; R618-L622 PolarHBondContact O-N 2.86Å |
| 619 | N | 74.6 | Confident | 75.3 | Confident | 79 Ų | 79 | 82.9 Ų | 82.9 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 178.2 | -67.9 | -20.1 | 0 | 0 | 0 | 111.8 | E615 L616 E617 L622 A623 | E615-N619 VanDerWaalsContact O-CB 3.31Å; E615-N619 WeakPolarHBondContact O-CB 3.23Å; E615-N619 PolarHBondContact O-N 2.96Å; E615-N619 PolarHBondContact O-ND2 3.12Å; E615-N619 VanDerWaalsContact O-ND2 3.09Å; E615-N619 PolarHBondContact O-OD1 2.84Å; L616-N619 WeakPolarHBondContact O-CB 3.26Å; L616-N619 PolarHBondContact O-N 2.57Å; L616-N619 VanDerWaalsContact O-N 3.11Å; E617-N619 VanDerWaalsContact C-N 3.27Å; E617-N619 PolarHBondContact O-N 3.11Å; N619-L622 PolarHBondContact O-N 3.28Å; N619-A623 WeakPolarHBondContact O-CB 3.44Å; N619-A623 PolarHBondContact O-N 2.67Å |
| 620 | D | 67.7 | Low | 75.8 | Confident | 74 Ų | 74 | 89.3 Ų | 89.3 | 40% | 0.396 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 173.8 | -73.4 | -24.1 | 0 | 0 | 0 | 111.6 | R246 L616 E617 A623 N624 | R246-D620 IonicContact NH1-OD2 3.49Å; L616-D620 PolarHBondContact O-N 3.43Å; E617-D620 PolarHBondContact O-N 3.39Å; D620-A623 PolarHBondContact O-N 3.03Å; D620-N624 PolarHBondContact O-N 3Å; D620-N624 PolarHBondContact O-ND2 2.7Å; D620-N624 VanDerWaalsContact O-ND2 3.12Å |
| 621 | Y | 66.8 | Low | 76.2 | Confident | 121 Ų | 121 | 89 Ų | 89 | 48% | 0.475 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 172.1 | -74.5 | -59.2 | 0 | 0 | 0 | 111.7 | E617 A623 N624 I625 | E617-Y621 HydrophobicContact CB-CE2 4.34Å; E617-Y621 WeakPolarHBondContact O-CD2 3.38Å; E617-Y621 PolarHBondContact O-N 2.86Å; Y621-A623 VanDerWaalsContact C-N 3.32Å; Y621-A623 PolarHBondContact O-N 3.11Å; Y621-N624 PolarHBondContact O-N 3.05Å; Y621-I625 WeakPolarHBondContact O-CG1 3.18Å; Y621-I625 PolarHBondContact O-N 3.11Å |
| 622 | L | 76 | Confident | 76.5 | Confident | 63 Ų | 63 | 85 Ų | 85 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 176.2 | -73.3 | 169.6 | 0 | 0 | 0 | 112.4 | R618 N619 R626 | R618-L622 HydrophobicContact CG-CD1 4.11Å; R618-L622 WeakPolarHBondContact O-CB 3.36Å; R618-L622 VanDerWaalsContact O-CG 3.23Å; R618-L622 WeakPolarHBondContact O-CG 3.43Å; R618-L622 PolarHBondContact O-N 2.86Å; N619-L622 PolarHBondContact O-N 3.28Å; L622-R626 WeakPolarHBondContact O-CB 3.04Å; L622-R626 WeakPolarHBondContact O-CD 3.24Å; L622-R626 WeakPolarHBondContact O-CG 3.49Å; L622-R626 PolarHBondContact O-N 3.17Å |
| 623 | A | 72.6 | Confident | 77.1 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 44% | 0.438 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N619 D620 Y621 R627 | N619-A623 WeakPolarHBondContact O-CB 3.44Å; N619-A623 PolarHBondContact O-N 2.67Å; D620-A623 PolarHBondContact O-N 3.03Å; Y621-A623 VanDerWaalsContact C-N 3.32Å; Y621-A623 PolarHBondContact O-N 3.11Å; A623-R627 WeakPolarHBondContact O-CB 3.34Å; A623-R627 PolarHBondContact O-N 3Å |
| 624 | N | 70.9 | Confident | 77.9 | Confident | 49 Ų | 49 | 91.6 Ų | 91.6 | 26% | 0.262 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 173.3 | -86.8 | -59.6 | 0 | 0 | 0 | 112.5 | D620 Y621 R626 R627 L628 | D620-N624 PolarHBondContact O-N 3Å; D620-N624 PolarHBondContact O-ND2 2.7Å; D620-N624 VanDerWaalsContact O-ND2 3.12Å; Y621-N624 PolarHBondContact O-N 3.05Å; N624-R626 PolarHBondContact O-N 3.33Å; N624-R627 WeakPolarHBondContact O-CB 3.34Å; N624-R627 PolarHBondContact O-N 3.07Å; N624-R627 PolarHBondContact OD1-NH2 3.15Å; N624-L628 WeakPolarHBondContact O-CG 3.49Å; N624-L628 PolarHBondContact O-N 2.73Å |
| 625 | I | 78.8 | Confident | 78.7 | Confident | 83 Ų | 83 | 90.9 Ų | 90.9 | 43% | 0.426 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.3 | -52.2 | 173.7 | -69.1 | 163.8 | 0 | 0 | 0 | 109.7 | Y621 R627 L628 E629 | Y621-I625 WeakPolarHBondContact O-CG1 3.18Å; Y621-I625 PolarHBondContact O-N 3.11Å; I625-R627 PolarHBondContact O-N 2.92Å; I625-R627 VanDerWaalsContact O-N 3.1Å; I625-L628 PolarHBondContact O-N 3.01Å; I625-L628 VanDerWaalsContact O-N 3.1Å; I625-E629 HydrophobicContact CG2-CG 4.19Å; I625-E629 WeakPolarHBondContact O-CB 3.4Å; I625-E629 VanDerWaalsContact O-CG 3.31Å; I625-E629 WeakPolarHBondContact O-CG 3.26Å; I625-E629 PolarHBondContact O-N 3Å |
| 626 | R | 84.4 | Confident | 79.4 | Confident | 151 Ų | 151 | 89.8 Ų | 89.8 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.2 | -18.2 | 176.2 | -69.5 | 167.6 | -176.3 | 167.4 | 1.8 | 114.5 | L622 N624 E629 R630 | L622-R626 WeakPolarHBondContact O-CB 3.04Å; L622-R626 WeakPolarHBondContact O-CD 3.24Å; L622-R626 WeakPolarHBondContact O-CG 3.49Å; L622-R626 PolarHBondContact O-N 3.17Å; N624-R626 PolarHBondContact O-N 3.33Å; R626-E629 WeakPolarHBondContact CA-OE2 3.44Å; R626-R630 WeakPolarHBondContact O-CG 3.36Å; R626-R630 PolarHBondContact O-NE 3.48Å |
| 627 | R | 79.3 | Confident | 80.2 | Confident | 53 Ų | 53 | 88.6 Ų | 88.6 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -82.6 | -48.5 | 171.5 | -176.9 | -179.2 | 59.8 | 72.6 | 2.9 | 110.4 | A623 N624 I625 E629 R630 E631 | A623-R627 WeakPolarHBondContact O-CB 3.34Å; A623-R627 PolarHBondContact O-N 3Å; N624-R627 WeakPolarHBondContact O-CB 3.34Å; N624-R627 PolarHBondContact O-N 3.07Å; N624-R627 PolarHBondContact OD1-NH2 3.15Å; I625-R627 PolarHBondContact O-N 2.92Å; I625-R627 VanDerWaalsContact O-N 3.1Å; R627-E629 VanDerWaalsContact C-N 3.33Å; R627-E629 PolarHBondContact O-N 3.1Å; R627-R630 PolarHBondContact O-N 3.48Å; R627-E631 VanDerWaalsContact CG-OE1 3.26Å; R627-E631 WeakPolarHBondContact CG-OE1 3.43Å; R627-E631 IonicContact CZ-OE1 2.7Å; R627-E631 IonicContact NH1-OE1 3.81Å; R627-E631 PolarHBondContact NH1-OE1 2.78Å; R627-E631 IonicContact NH1-OE2 3.4Å; R627-E631 PolarHBondContact NH1-OE2 2.82Å; R627-E631 WeakPolarHBondContact O-CG 3.45Å; R627-E631 PolarHBondContact O-N 2.69Å |
| 628 | L | 77.4 | Confident | 81.2 | Confident | 99 Ų | 99 | 89 Ų | 89 | 52% | 0.518 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 177.6 | -67.1 | 172.1 | 0 | 0 | 0 | 112.1 | N624 I625 E631 G632 | N624-L628 WeakPolarHBondContact O-CG 3.49Å; N624-L628 PolarHBondContact O-N 2.73Å; I625-L628 PolarHBondContact O-N 3.01Å; I625-L628 VanDerWaalsContact O-N 3.1Å; L628-E631 PolarHBondContact O-N 2.98Å; L628-G632 PolarHBondContact O-N 2.81Å |
| 629 | E | 85.4 | Confident | 81.7 | Confident | 106 Ų | 106 | 87.4 Ų | 87.4 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59 | -45.5 | 172 | -74.1 | 171.7 | 157.9 | 0 | 0 | 111.8 | I625 R626 R627 G632 Q633 | I625-E629 HydrophobicContact CG2-CG 4.19Å; I625-E629 WeakPolarHBondContact O-CB 3.4Å; I625-E629 VanDerWaalsContact O-CG 3.31Å; I625-E629 WeakPolarHBondContact O-CG 3.26Å; I625-E629 PolarHBondContact O-N 3Å; R626-E629 WeakPolarHBondContact CA-OE2 3.44Å; R627-E629 VanDerWaalsContact C-N 3.33Å; R627-E629 PolarHBondContact O-N 3.1Å; E629-G632 PolarHBondContact O-N 3.04Å; E629-Q633 WeakPolarHBondContact O-CB 3.37Å; E629-Q633 VanDerWaalsContact O-CG 3.22Å; E629-Q633 WeakPolarHBondContact O-CG 3.28Å; E629-Q633 PolarHBondContact O-N 2.89Å |
| 630 | R | 87.1 | Confident | 82.2 | Confident | 155 Ų | 155 | 89.2 Ų | 89.2 | 59% | 0.585 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.1 | -37.2 | 177.2 | -75.3 | 179.9 | -68.1 | 144.3 | 1.1 | 112.6 | R626 R627 L634 | R626-R630 WeakPolarHBondContact O-CG 3.36Å; R626-R630 PolarHBondContact O-NE 3.48Å; R627-R630 PolarHBondContact O-N 3.48Å; R630-L634 WeakPolarHBondContact O-CB 3.4Å; R630-L634 PolarHBondContact O-N 3.29Å |
| 631 | E | 83.5 | Confident | 83.2 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 34% | 0.341 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 174.4 | -73.9 | 169.7 | -165 | 0 | 0 | 110.8 | R627 L628 L634 L635 | R627-E631 VanDerWaalsContact CG-OE1 3.26Å; R627-E631 WeakPolarHBondContact CG-OE1 3.43Å; R627-E631 IonicContact CZ-OE1 2.7Å; R627-E631 IonicContact NH1-OE1 3.81Å; R627-E631 PolarHBondContact NH1-OE1 2.78Å; R627-E631 IonicContact NH1-OE2 3.4Å; R627-E631 PolarHBondContact NH1-OE2 2.82Å; R627-E631 WeakPolarHBondContact O-CG 3.45Å; R627-E631 PolarHBondContact O-N 2.69Å; L628-E631 PolarHBondContact O-N 2.98Å; E631-L634 PolarHBondContact O-N 3.21Å; E631-L635 WeakPolarHBondContact O-CB 3.39Å; E631-L635 VanDerWaalsContact O-CG 3.28Å; E631-L635 WeakPolarHBondContact O-CG 3.23Å; E631-L635 PolarHBondContact O-N 3.1Å |
| 632 | G | 84.3 | Confident | 84.2 | Confident | 37 Ų | 37 | 95 Ų | 95 | 38% | 0.381 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L628 E629 L635 N636 | L628-G632 PolarHBondContact O-N 2.81Å; E629-G632 PolarHBondContact O-N 3.04Å; G632-L635 PolarHBondContact O-N 2.9Å; G632-N636 WeakPolarHBondContact O-CB 3.27Å; G632-N636 PolarHBondContact O-N 3.36Å |
| 633 | Q | 91.6 | Very high | 84.6 | Confident | 125 Ų | 125 | 94 Ų | 94 | 58% | 0.584 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 172.8 | -75.6 | 167.6 | 2.3 | 0 | 0 | 111.6 | E629 N636 C637 | E629-Q633 WeakPolarHBondContact O-CB 3.37Å; E629-Q633 VanDerWaalsContact O-CG 3.22Å; E629-Q633 WeakPolarHBondContact O-CG 3.28Å; E629-Q633 PolarHBondContact O-N 2.89Å; Q633-N636 PolarHBondContact O-N 2.81Å; Q633-C637 PolarHBondContact O-N 2.92Å; Q633-C637 PolarHBondContact O-SG 2.76Å |
| 634 | L | 90.6 | Very high | 85.3 | Confident | 110 Ų | 110 | 96.4 Ų | 96.4 | 58% | 0.576 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61 | -45.9 | 176.1 | 176.6 | 61.7 | 0 | 0 | 0 | 111.7 | R630 E631 N636 C637 L638 | R630-L634 WeakPolarHBondContact O-CB 3.4Å; R630-L634 PolarHBondContact O-N 3.29Å; E631-L634 PolarHBondContact O-N 3.21Å; L634-N636 VanDerWaalsContact C-N 3.34Å; L634-N636 PolarHBondContact O-N 3.39Å; L634-C637 PolarHBondContact O-N 2.82Å; L634-L638 HydrophobicContact CD1-CD1 4.4Å; L634-L638 HydrophobicContact CD1-CG 4.49Å; L634-L638 HydrophobicContact CG-CD1 4.26Å; L634-L638 WeakPolarHBondContact O-CG 3.31Å; L634-L638 PolarHBondContact O-N 2.93Å |
| 635 | L | 89.3 | Confident | 86 | Confident | 118 Ų | 118 | 101 Ų | 101 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 176.6 | -72.6 | 169 | 0 | 0 | 0 | 111.7 | E631 G632 L638 L639 | E631-L635 WeakPolarHBondContact O-CB 3.39Å; E631-L635 VanDerWaalsContact O-CG 3.28Å; E631-L635 WeakPolarHBondContact O-CG 3.23Å; E631-L635 PolarHBondContact O-N 3.1Å; G632-L635 PolarHBondContact O-N 2.9Å; L635-L638 PolarHBondContact O-N 3.39Å; L635-L639 WeakPolarHBondContact O-CB 3.2Å; L635-L639 PolarHBondContact O-N 3Å |
| 636 | N | 88.9 | Confident | 86.3 | Confident | 71 Ų | 71 | 99.3 Ų | 99.3 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 175.8 | -173.4 | 82.9 | 0 | 0 | 0 | 112.1 | G632 Q633 L634 L638 L639 E640 | G632-N636 WeakPolarHBondContact O-CB 3.27Å; G632-N636 PolarHBondContact O-N 3.36Å; Q633-N636 PolarHBondContact O-N 2.81Å; L634-N636 VanDerWaalsContact C-N 3.34Å; L634-N636 PolarHBondContact O-N 3.39Å; N636-L638 VanDerWaalsContact C-N 3.27Å; N636-L638 PolarHBondContact O-N 3.17Å; N636-L639 WeakPolarHBondContact O-CB 3.43Å; N636-L639 PolarHBondContact O-N 2.8Å; N636-L639 VanDerWaalsContact O-N 3.13Å; N636-E640 VanDerWaalsContact ND2-CD 3.31Å; N636-E640 PolarHBondContact ND2-OE1 3.44Å; N636-E640 WeakPolarHBondContact O-CG 3.31Å; N636-E640 PolarHBondContact O-N 3.43Å |
| 637 | C | 90.5 | Very high | 86.2 | Confident | 62 Ų | 62 | 99.6 Ų | 99.6 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -24.8 | 176.2 | -69.6 | 0 | 0 | 0 | 0 | 113.7 | Q633 L634 R641 | Q633-C637 PolarHBondContact O-N 2.92Å; Q633-C637 PolarHBondContact O-SG 2.76Å; L634-C637 PolarHBondContact O-N 2.82Å; C637-R641 WeakPolarHBondContact O-CG 3.22Å |
| 638 | L | 88.9 | Confident | 86.3 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 44% | 0.44 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.5 | -45.4 | 168.2 | -72.3 | 168.2 | 0 | 0 | 0 | 110.7 | L634 L635 N636 E640 R641 M642 | L634-L638 HydrophobicContact CD1-CD1 4.4Å; L634-L638 HydrophobicContact CD1-CG 4.49Å; L634-L638 HydrophobicContact CG-CD1 4.26Å; L634-L638 WeakPolarHBondContact O-CG 3.31Å; L634-L638 PolarHBondContact O-N 2.93Å; L635-L638 PolarHBondContact O-N 3.39Å; N636-L638 VanDerWaalsContact C-N 3.27Å; N636-L638 PolarHBondContact O-N 3.17Å; L638-E640 PolarHBondContact O-N 2.66Å; L638-R641 PolarHBondContact O-N 2.87Å; L638-R641 VanDerWaalsContact O-N 3.11Å; L638-M642 WeakPolarHBondContact O-CG 3.41Å; L638-M642 PolarHBondContact O-N 3.45Å |
| 639 | L | 86.4 | Confident | 86.5 | Confident | 69 Ų | 69 | 106.1 Ų | 106.1 | 36% | 0.361 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.7 | -48 | 178.1 | -161.8 | 73.5 | 0 | 0 | 0 | 111.7 | L635 N636 R641 M642 V643 L655 | L635-L639 WeakPolarHBondContact O-CB 3.2Å; L635-L639 PolarHBondContact O-N 3Å; N636-L639 WeakPolarHBondContact O-CB 3.43Å; N636-L639 PolarHBondContact O-N 2.8Å; N636-L639 VanDerWaalsContact O-N 3.13Å; L639-R641 PolarHBondContact O-N 3.35Å; L639-M642 PolarHBondContact O-N 2.86Å; L639-V643 WeakPolarHBondContact O-CG2 3.39Å; L639-V643 PolarHBondContact O-N 2.91Å; L639-L655 HydrophobicContact CD1-CD2 3.99Å; L639-L655 HydrophobicContact CD2-CD1 3.5Å; L639-L655 HydrophobicContact CD2-CD2 4.03Å; L639-L655 HydrophobicContact CD2-CG 4.39Å; L639-L655 HydrophobicContact CG-CD1 3.81Å; L639-L655 HydrophobicContact CG-CD2 4.03Å |
| 640 | E | 86.8 | Confident | 86.5 | Confident | 118 Ų | 118 | 101.6 Ų | 101.6 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.4 | -32.5 | 175.5 | -74.1 | 169.9 | 175.5 | 0 | 0 | 113.3 | N636 L638 P644 | N636-E640 VanDerWaalsContact ND2-CD 3.31Å; N636-E640 PolarHBondContact ND2-OE1 3.44Å; N636-E640 WeakPolarHBondContact O-CG 3.31Å; N636-E640 PolarHBondContact O-N 3.43Å; L638-E640 PolarHBondContact O-N 2.66Å; E640-P644 VanDerWaalsContact O-CD 3.23Å; E640-P644 WeakPolarHBondContact O-CD 3.47Å |
| 641 | R | 88.6 | Confident | 86.3 | Confident | 197 Ų | 197 | 95 Ų | 95 | 74% | 0.743 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -83.2 | -24.8 | 175.6 | -70.7 | 177.4 | 178.6 | -164.3 | 0.4 | 113.3 | C637 L638 L639 | C637-R641 WeakPolarHBondContact O-CG 3.22Å; L638-R641 PolarHBondContact O-N 2.87Å; L638-R641 VanDerWaalsContact O-N 3.11Å; L639-R641 PolarHBondContact O-N 3.35Å |
| 642 | M | 86.9 | Confident | 86.4 | Confident | 120 Ų | 120 | 94.4 Ų | 94.4 | 59% | 0.591 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -85.6 | -37.4 | -179.3 | -73.4 | 178.6 | 67.9 | 0 | 0 | 112.9 | L638 L639 L645 V646 | L638-M642 WeakPolarHBondContact O-CG 3.41Å; L638-M642 PolarHBondContact O-N 3.45Å; L639-M642 PolarHBondContact O-N 2.86Å; M642-L645 WeakPolarHBondContact O-CA 3.4Å; M642-L645 WeakPolarHBondContact O-CB 3.24Å; M642-L645 PolarHBondContact O-N 2.93Å; M642-V646 PolarHBondContact O-N 3.31Å |
| 643 | V | 85.4 | Confident | 86.4 | Confident | 41 Ų | 41 | 94.5 Ų | 94.5 | 25% | 0.248 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -52.4 | -45 | -179.3 | 167.8 | 0 | 0 | 0 | 0 | 113.5 | L639 L645 V646 L655 | L639-V643 WeakPolarHBondContact O-CG2 3.39Å; L639-V643 PolarHBondContact O-N 2.91Å; V643-L645 PolarHBondContact O-N 3.19Å; V643-L645 VanDerWaalsContact O-N 3.12Å; V643-V646 PolarHBondContact O-N 2.81Å; V643-V646 VanDerWaalsContact O-N 3.08Å; V643-L655 HydrophobicContact CG2-CD1 3.59Å; V643-L655 HydrophobicContact CG2-CD2 3.77Å; V643-L655 HydrophobicContact CG2-CG 3.59Å |
| 644 | P | 86.3 | Confident | 86 | Confident | 103 Ų | 103 | 92.5 Ų | 92.5 | 67% | 0.669 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -65.6 | -13.5 | 177.6 | -22.4 | 35.1 | 0 | 0 | 0 | 114.9 | E640 | E640-P644 VanDerWaalsContact O-CD 3.23Å; E640-P644 WeakPolarHBondContact O-CD 3.47Å |
| 645 | L | 85.6 | Confident | 85.6 | Confident | 147 Ų | 147 | 90.1 Ų | 90.1 | 77% | 0.77 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -94.2 | -14 | 176.9 | -51.9 | 177.4 | 0 | 0 | 0 | 112.4 | M642 V643 | M642-L645 WeakPolarHBondContact O-CA 3.4Å; M642-L645 WeakPolarHBondContact O-CB 3.24Å; M642-L645 PolarHBondContact O-N 2.93Å; V643-L645 PolarHBondContact O-N 3.19Å; V643-L645 VanDerWaalsContact O-N 3.12Å |
| 646 | V | 84.4 | Confident | 85.3 | Confident | 46 Ų | 46 | 88.8 Ų | 88.8 | 28% | 0.279 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -73.8 | 136.5 | 173.6 | -176 | 0 | 0 | 0 | 0 | 109 | M642 V643 R648 C650 | M642-V646 PolarHBondContact O-N 3.31Å; V643-V646 PolarHBondContact O-N 2.81Å; V643-V646 VanDerWaalsContact O-N 3.08Å; V646-R648 PolarHBondContact O-N 3.05Å; V646-C650 HydrophobicContact CG1-CB 4.02Å |
| 647 | R | 83.3 | Confident | 85.1 | Confident | 157 Ų | 157 | 90 Ų | 90 | 59% | 0.592 | 43% | 0.434 | S | S | * | . | trans | -60.8 | 137.6 | 177.3 | -55.6 | 167 | 54 | 133.6 | -2.1 | 110.4 | D649 C650 | R647-D649 WeakPolarHBondContact CB-OD1 3.49Å; R647-D649 IonicContact CZ-OD1 3.52Å; R647-D649 IonicContact CZ-OD2 2.97Å; R647-D649 IonicContact NE-OD1 3.54Å; R647-D649 PolarHBondContact NE-OD1 2.99Å; R647-D649 IonicContact NE-OD2 2.64Å; R647-D649 IonicContact NH2-OD1 2.68Å; R647-D649 IonicContact NH2-OD2 3.2Å; R647-D649 PolarHBondContact NH2-OD2 3.15Å; R647-D649 PolarHBondContact O-N 3.35Å; R647-C650 HydrophobicContact CB-CB 4.4Å; R647-C650 VanDerWaalsContact O-CB 3.28Å; R647-C650 WeakPolarHBondContact O-CB 3.4Å; R647-C650 PolarHBondContact O-N 3.28Å | ||
| 648 | R | 80.3 | Confident | 85 | Confident | 239 Ų | 239 | 87.7 Ų | 87.7 | 90% | 0.902 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.6 | -178.9 | -64.2 | -177.3 | -178 | 176.3 | 0.2 | 114.5 | V646 C650 | V646-R648 PolarHBondContact O-N 3.05Å; R648-C650 VanDerWaalsContact C-N 3.34Å |
| 649 | D | 82.3 | Confident | 84.8 | Confident | 51 Ų | 51 | 91.8 Ų | 91.8 | 27% | 0.273 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.4 | 174 | 60.2 | -9.6 | 0 | 0 | 0 | 113.2 | R647 V678 Q679 | R647-D649 WeakPolarHBondContact CB-OD1 3.49Å; R647-D649 IonicContact CZ-OD1 3.52Å; R647-D649 IonicContact CZ-OD2 2.97Å; R647-D649 IonicContact NE-OD1 3.54Å; R647-D649 PolarHBondContact NE-OD1 2.99Å; R647-D649 IonicContact NE-OD2 2.64Å; R647-D649 IonicContact NH2-OD1 2.68Å; R647-D649 IonicContact NH2-OD2 3.2Å; R647-D649 PolarHBondContact NH2-OD2 3.15Å; R647-D649 PolarHBondContact O-N 3.35Å; D649-V678 HydrophobicContact CB-CG1 4.32Å; D649-V678 CarbonylContact O-C 3.56Å; D649-V678 WeakPolarHBondContact O-CA 3.23Å; D649-V678 WeakPolarHBondContact OD2-CG1 3.46Å; D649-Q679 PolarHBondContact O-N 2.92Å |
| 650 | C | 84.8 | Confident | 84.9 | Confident | 11 Ų | 11 | 97 Ų | 97 | 7% | 0.074 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -91.7 | 138.3 | 174 | -175 | 0 | 0 | 0 | 0 | 111.3 | V646 R647 R648 Y652 S653 M677 V678 | V646-C650 HydrophobicContact CG1-CB 4.02Å; R647-C650 HydrophobicContact CB-CB 4.4Å; R647-C650 VanDerWaalsContact O-CB 3.28Å; R647-C650 WeakPolarHBondContact O-CB 3.4Å; R647-C650 PolarHBondContact O-N 3.28Å; R648-C650 VanDerWaalsContact C-N 3.34Å; C650-Y652 PolarHBondContact O-N 2.92Å; C650-S653 WeakPolarHBondContact O-CB 3.37Å; C650-S653 PolarHBondContact O-N 2.89Å; C650-S653 PolarHBondContact O-OG 2.78Å; C650-M677 WeakPolarHBondContact CA-O 3.48Å; C650-V678 HydrophobicContact CB-CG2 4.31Å |
| 651 | N | 84.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 94.8 Ų | 94.8 | 8% | 0.08 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -58.2 | -29.8 | 175.2 | 60.9 | -31.7 | 0 | 0 | 0 | 113.3 | S653 N654 D675 M677 | N651-S653 PolarHBondContact O-N 3.49Å; N651-S653 VanDerWaalsContact O-N 3.15Å; N651-N654 PolarHBondContact O-N 3.37Å; N651-D675 PolarHBondContact ND2-O 3.18Å; N651-D675 PolarHBondContact OD1-O 3.03Å; N651-M677 PolarHBondContact N-O 2.74Å; N651-M677 VanDerWaalsContact N-O 3.07Å; N651-M677 PolarHBondContact OD1-N 3.36Å; N651-M677 PolarHBondContact OD1-O 3.42Å |
| 652 | Y | 84.9 | Confident | 84.9 | Confident | 61 Ų | 61 | 86 Ų | 86 | 24% | 0.239 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -67.2 | -8 | 175.8 | -81 | -111.1 | 0 | 0 | 0 | 114.7 | C650 N654 V658 L673 P674 V676 | C650-Y652 PolarHBondContact O-N 2.92Å; Y652-N654 PolarHBondContact O-N 2.81Å; Y652-V658 HydrophobicContact CD1-CG2 4.39Å; Y652-V658 HydrophobicContact CD2-CG2 4.44Å; Y652-V658 HydrophobicContact CE1-CG1 4.45Å; Y652-V658 HydrophobicContact CG-CG2 4.24Å; Y652-L673 HydrophobicContact CE1-CD1 4.33Å; Y652-L673 VanDerWaalsContact OH-CB 3.31Å; Y652-L673 WeakPolarHBondContact OH-CB 3.5Å; Y652-P674 VanDerWaalsContact CE2-O 3.24Å; Y652-P674 WeakPolarHBondContact CE2-O 3.48Å; Y652-P674 PolarHBondContact OH-O 3.31Å; Y652-V676 HydrophobicContact CD2-CB 4.47Å; Y652-V676 HydrophobicContact CD2-CG1 4.48Å; Y652-V676 HydrophobicContact CD2-CG2 4.03Å; Y652-V676 HydrophobicContact CE2-CB 4.3Å; Y652-V676 HydrophobicContact CE2-CG2 3.63Å |
| 653 | S | 83.6 | Confident | 85.1 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -69.6 | -18.1 | 171.9 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | C650 N651 | C650-S653 WeakPolarHBondContact O-CB 3.37Å; C650-S653 PolarHBondContact O-N 2.89Å; C650-S653 PolarHBondContact O-OG 2.78Å; N651-S653 PolarHBondContact O-N 3.49Å; N651-S653 VanDerWaalsContact O-N 3.15Å |
| 654 | N | 84.4 | Confident | 85.3 | Confident | 83 Ų | 83 | 88 Ų | 88 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | trans | -115.5 | 95.8 | 177.1 | -173.8 | -29.7 | 0 | 0 | 0 | 110.8 | N651 Y652 D656 R657 V658 | N651-N654 PolarHBondContact O-N 3.37Å; Y652-N654 PolarHBondContact O-N 2.81Å; N654-D656 VanDerWaalsContact C-N 3.3Å; N654-D656 PolarHBondContact O-N 2.94Å; N654-D656 PolarHBondContact OD1-N 3.33Å; N654-R657 HydrophobicContact CB-CB 3.97Å; N654-R657 WeakPolarHBondContact O-CB 3.28Å; N654-R657 PolarHBondContact O-N 2.91Å; N654-R657 VanDerWaalsContact O-N 3.15Å; N654-R657 PolarHBondContact OD1-N 2.97Å; N654-V658 PolarHBondContact O-N 2.89Å | ||
| 655 | L | 82.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 84.5 Ų | 84.5 | 31% | 0.314 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.6 | -35.9 | -179.6 | -65.5 | 177.9 | 0 | 0 | 0 | 114 | L639 V643 R657 V658 R659 | L639-L655 HydrophobicContact CD1-CD2 3.99Å; L639-L655 HydrophobicContact CD2-CD1 3.5Å; L639-L655 HydrophobicContact CD2-CD2 4.03Å; L639-L655 HydrophobicContact CD2-CG 4.39Å; L639-L655 HydrophobicContact CG-CD1 3.81Å; L639-L655 HydrophobicContact CG-CD2 4.03Å; V643-L655 HydrophobicContact CG2-CD1 3.59Å; V643-L655 HydrophobicContact CG2-CD2 3.77Å; V643-L655 HydrophobicContact CG2-CG 3.59Å; L655-R657 VanDerWaalsContact C-N 3.31Å; L655-V658 PolarHBondContact O-N 3.39Å; L655-R659 VanDerWaalsContact O-CB 3.27Å; L655-R659 WeakPolarHBondContact O-CB 3.33Å; L655-R659 PolarHBondContact O-N 2.94Å |
| 656 | D | 83.4 | Confident | 84.5 | Confident | 90 Ų | 90 | 84.4 Ų | 84.4 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -76.4 | -22.6 | -179 | -70.7 | -46 | 0 | 0 | 0 | 112.4 | N654 R659 K660 | N654-D656 VanDerWaalsContact C-N 3.3Å; N654-D656 PolarHBondContact O-N 2.94Å; N654-D656 PolarHBondContact OD1-N 3.33Å; D656-R659 IonicContact OD1-NH1 3.32Å; D656-R659 PolarHBondContact OD1-NH1 3.22Å; D656-K660 WeakPolarHBondContact O-CD 3.35Å; D656-K660 VanDerWaalsContact O-CG 3.23Å; D656-K660 WeakPolarHBondContact O-CG 3.37Å; D656-K660 PolarHBondContact O-N 2.76Å |
| 657 | R | 84.5 | Confident | 83.2 | Confident | 98 Ų | 98 | 86.5 Ų | 86.5 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.8 | -52.9 | 164.7 | -176.8 | 179.9 | 176.3 | 167.6 | 6.4 | 110.2 | N654 L655 R659 K660 E661 | N654-R657 HydrophobicContact CB-CB 3.97Å; N654-R657 WeakPolarHBondContact O-CB 3.28Å; N654-R657 PolarHBondContact O-N 2.91Å; N654-R657 VanDerWaalsContact O-N 3.15Å; N654-R657 PolarHBondContact OD1-N 2.97Å; L655-R657 VanDerWaalsContact C-N 3.31Å; R657-R659 VanDerWaalsContact C-N 3.27Å; R657-R659 PolarHBondContact O-N 3.49Å; R657-K660 PolarHBondContact O-N 3.36Å; R657-E661 HydrophobicContact CG-CG 4.36Å; R657-E661 WeakPolarHBondContact CG-OE2 3.48Å; R657-E661 IonicContact CZ-OE1 3.65Å; R657-E661 IonicContact CZ-OE2 2.67Å; R657-E661 VanDerWaalsContact NE-CD 3.3Å; R657-E661 IonicContact NE-OE1 2.87Å; R657-E661 PolarHBondContact NE-OE1 3.47Å; R657-E661 IonicContact NE-OE2 2.75Å; R657-E661 PolarHBondContact NE-OE2 3.15Å; R657-E661 IonicContact NH2-OE1 3.57Å; R657-E661 PolarHBondContact NH2-OE1 3.4Å; R657-E661 IonicContact NH2-OE2 2.68Å; R657-E661 PolarHBondContact O-N 3.13Å |
| 658 | V | 86.6 | Confident | 82.4 | Confident | 13 Ų | 13 | 81.2 Ų | 81.2 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -54.6 | -43.1 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | Y652 N654 L655 K660 E661 A662 L673 P674 | Y652-V658 HydrophobicContact CD1-CG2 4.39Å; Y652-V658 HydrophobicContact CD2-CG2 4.44Å; Y652-V658 HydrophobicContact CE1-CG1 4.45Å; Y652-V658 HydrophobicContact CG-CG2 4.24Å; N654-V658 PolarHBondContact O-N 2.89Å; L655-V658 PolarHBondContact O-N 3.39Å; V658-K660 VanDerWaalsContact C-N 3.31Å; V658-K660 PolarHBondContact O-N 3.35Å; V658-E661 PolarHBondContact O-N 2.89Å; V658-A662 WeakPolarHBondContact O-CB 3.37Å; V658-A662 PolarHBondContact O-N 3.22Å; V658-L673 HydrophobicContact CG1-CD2 4.16Å; V658-P674 HydrophobicContact CG1-CG 4.3Å |
| 659 | R | 85.9 | Confident | 82.1 | Confident | 170 Ų | 170 | 72.9 Ų | 72.9 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.4 | -29.3 | 177.3 | 177.4 | -177.2 | -80.1 | 143.6 | -10.7 | 113.8 | L655 D656 R657 | L655-R659 VanDerWaalsContact O-CB 3.27Å; L655-R659 WeakPolarHBondContact O-CB 3.33Å; L655-R659 PolarHBondContact O-N 2.94Å; D656-R659 IonicContact OD1-NH1 3.32Å; D656-R659 PolarHBondContact OD1-NH1 3.22Å; R657-R659 VanDerWaalsContact C-N 3.27Å; R657-R659 PolarHBondContact O-N 3.49Å |
| 660 | K | 87.3 | Confident | 81.8 | Confident | 178 Ų | 178 | 73.9 Ų | 73.9 | 77% | 0.774 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -85.5 | -31.4 | 177.3 | -74.3 | 171.7 | -176.8 | 177.9 | 0 | 112.9 | D656 R657 V658 | D656-K660 WeakPolarHBondContact O-CD 3.35Å; D656-K660 VanDerWaalsContact O-CG 3.23Å; D656-K660 WeakPolarHBondContact O-CG 3.37Å; D656-K660 PolarHBondContact O-N 2.76Å; R657-K660 PolarHBondContact O-N 3.36Å; V658-K660 VanDerWaalsContact C-N 3.31Å; V658-K660 PolarHBondContact O-N 3.35Å |
| 661 | E | 86.6 | Confident | 81.8 | Confident | 72 Ų | 72 | 80.9 Ų | 80.9 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -85.7 | -14.1 | 176.9 | -68.4 | 175.5 | 164.9 | 0 | 0 | 112.2 | R657 V658 P674 | R657-E661 HydrophobicContact CG-CG 4.36Å; R657-E661 WeakPolarHBondContact CG-OE2 3.48Å; R657-E661 IonicContact CZ-OE1 3.65Å; R657-E661 IonicContact CZ-OE2 2.67Å; R657-E661 VanDerWaalsContact NE-CD 3.3Å; R657-E661 IonicContact NE-OE1 2.87Å; R657-E661 PolarHBondContact NE-OE1 3.47Å; R657-E661 IonicContact NE-OE2 2.75Å; R657-E661 PolarHBondContact NE-OE2 3.15Å; R657-E661 IonicContact NH2-OE1 3.57Å; R657-E661 PolarHBondContact NH2-OE1 3.4Å; R657-E661 IonicContact NH2-OE2 2.68Å; R657-E661 PolarHBondContact O-N 3.13Å; V658-E661 PolarHBondContact O-N 2.89Å; E661-P674 HydrophobicContact CB-CB 4.01Å; E661-P674 HydrophobicContact CB-CG 3.84Å |
| 662 | A | 90.7 | Very high | 81.9 | Confident | 13 Ų | 13 | 85.5 Ų | 85.5 | 11% | 0.107 | 41% | 0.412 | C | S | . | . | trans | -72.9 | 130.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V658 W671 K672 L673 | V658-A662 WeakPolarHBondContact O-CB 3.37Å; V658-A662 PolarHBondContact O-N 3.22Å; A662-W671 HydrophobicContact CB-CE3 4.03Å; A662-K672 CarbonylContact C-O 3.56Å; A662-K672 VanDerWaalsContact CA-O 3.28Å; A662-K672 WeakPolarHBondContact CA-O 3.35Å; A662-L673 HydrophobicContact CB-CD2 3.9Å | ||
| 663 | V | 90.8 | Very high | 82.1 | Confident | 92 Ų | 92 | 87.1 Ų | 87.1 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.5 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | K672 | V663-K672 PolarHBondContact N-O 3.05Å; V663-K672 PolarHBondContact O-N 3.15Å |
| 664 | W | 88.1 | Confident | 82.3 | Confident | 110 Ų | 110 | 86.4 Ų | 86.4 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.4 | 168.7 | 177.4 | -104.9 | 0 | 0 | 0 | 109.8 | S669 W671 | W664-S669 WeakPolarHBondContact CH2-O 3.45Å; W664-W671 HydrophobicContact CB-CD2 4.39Å; W664-W671 HydrophobicContact CB-CE3 4.11Å; W664-W671 HydrophobicContact CB-CH2 4.04Å; W664-W671 HydrophobicContact CB-CZ2 4.3Å; W664-W671 HydrophobicContact CB-CZ3 3.94Å; W664-W671 AromaticContact CE3-CD1 3.58Å; W664-W671 AromaticContact CE3-CD2 3.89Å; W664-W671 HydrophobicContact CE3-CD2 3.89Å; W664-W671 AromaticContact CE3-CE2 3.66Å; W664-W671 AromaticContact CE3-CG 3.84Å; W664-W671 HydrophobicContact CE3-CG 3.84Å; W664-W671 HydrophobicContact CE3-CZ2 4.3Å; W664-W671 AromaticContact CE3-NE1 3.44Å; W664-W671 AromaticContact CZ3-CD1 3.65Å; W664-W671 HydrophobicContact CZ3-CG 4.28Å; W664-W671 AromaticContact CZ3-NE1 3.67Å |
| 665 | D | 83.6 | Confident | 82.3 | Confident | 30 Ų | 30 | 88.9 Ų | 88.9 | 16% | 0.16 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 102.9 | 179.4 | -167.7 | 54.2 | 0 | 0 | 0 | 109.7 | D667 S668 S669 T670 K672 | D665-D667 VanDerWaalsContact C-N 3.31Å; D665-D667 PolarHBondContact O-N 3.04Å; D665-S668 VanDerWaalsContact OD2-CB 3.26Å; D665-S668 WeakPolarHBondContact OD2-CB 3.37Å; D665-S668 PolarHBondContact OD2-OG 3.25Å; D665-S669 VanDerWaalsContact O-CA 3.23Å; D665-S669 WeakPolarHBondContact O-CA 3.34Å; D665-S669 PolarHBondContact O-N 3.21Å; D665-T670 WeakPolarHBondContact CB-O 3.34Å; D665-T670 PolarHBondContact N-O 2.95Å; D665-T670 PolarHBondContact O-N 3.07Å; D665-K672 HydrophobicContact CB-CD 3.87Å; D665-K672 HydrophobicContact CB-CG 4.06Å; D665-K672 WeakPolarHBondContact OD1-CE 3.28Å; D665-K672 IonicContact OD1-NZ 3.54Å; D665-K672 PolarHBondContact OD1-NZ 2.75Å; D665-K672 WeakPolarHBondContact OD2-CE 3.4Å; D665-K672 IonicContact OD2-NZ 3.46Å; D665-K672 PolarHBondContact OD2-NZ 3.09Å; D665-K672 VanDerWaalsContact OD2-NZ 3.11Å |
| 666 | E | 73.2 | Confident | 82.4 | Confident | 144 Ų | 144 | 90.9 Ų | 90.9 | 67% | 0.673 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -36.9 | -174 | -66 | -163.7 | 164.1 | 0 | 0 | 112.8 | S669 | E666-S669 PolarHBondContact O-N 2.7Å; E666-S669 PolarHBondContact O-OG 3.03Å |
| 667 | D | 56.3 | Low | 82.2 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -58.7 | -178.4 | -71 | -33.1 | 0 | 0 | 0 | 112 | K291 D665 S669 | K291-D667 PolarHBondContact NZ-O 2.88Å; D665-D667 VanDerWaalsContact C-N 3.31Å; D665-D667 PolarHBondContact O-N 3.04Å; D667-S669 VanDerWaalsContact C-N 3.26Å; D667-S669 PolarHBondContact O-N 2.94Å |
| 668 | S | 66.9 | Low | 82 | Confident | 45 Ų | 45 | 90 Ų | 90 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -13.7 | 178 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | D665 T670 | D665-S668 VanDerWaalsContact OD2-CB 3.26Å; D665-S668 WeakPolarHBondContact OD2-CB 3.37Å; D665-S668 PolarHBondContact OD2-OG 3.25Å; S668-T670 VanDerWaalsContact C-N 3.35Å; S668-T670 PolarHBondContact OG-OG1 3.11Å |
| 669 | S | 72.6 | Confident | 81.2 | Confident | 65 Ų | 65 | 95.9 Ų | 95.9 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 45.1 | -174 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | W664 D665 E666 D667 | W664-S669 WeakPolarHBondContact CH2-O 3.45Å; D665-S669 VanDerWaalsContact O-CA 3.23Å; D665-S669 WeakPolarHBondContact O-CA 3.34Å; D665-S669 PolarHBondContact O-N 3.21Å; E666-S669 PolarHBondContact O-N 2.7Å; E666-S669 PolarHBondContact O-OG 3.03Å; D667-S669 VanDerWaalsContact C-N 3.26Å; D667-S669 PolarHBondContact O-N 2.94Å |
| 670 | T | 76.3 | Confident | 80.3 | Confident | 72 Ų | 72 | 96.7 Ų | 96.7 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 159.7 | 177.7 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | D665 S668 | D665-T670 WeakPolarHBondContact CB-O 3.34Å; D665-T670 PolarHBondContact N-O 2.95Å; D665-T670 PolarHBondContact O-N 3.07Å; S668-T670 VanDerWaalsContact C-N 3.35Å; S668-T670 PolarHBondContact OG-OG1 3.11Å |
| 671 | W | 84.5 | Confident | 78.9 | Confident | 158 Ų | 158 | 94.3 Ų | 94.3 | 60% | 0.598 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 112.4 | 169.1 | -73.2 | 94.2 | 0 | 0 | 0 | 109.7 | A662 W664 L673 | A662-W671 HydrophobicContact CB-CE3 4.03Å; W664-W671 HydrophobicContact CB-CD2 4.39Å; W664-W671 HydrophobicContact CB-CE3 4.11Å; W664-W671 HydrophobicContact CB-CH2 4.04Å; W664-W671 HydrophobicContact CB-CZ2 4.3Å; W664-W671 HydrophobicContact CB-CZ3 3.94Å; W664-W671 AromaticContact CE3-CD1 3.58Å; W664-W671 AromaticContact CE3-CD2 3.89Å; W664-W671 HydrophobicContact CE3-CD2 3.89Å; W664-W671 AromaticContact CE3-CE2 3.66Å; W664-W671 AromaticContact CE3-CG 3.84Å; W664-W671 HydrophobicContact CE3-CG 3.84Å; W664-W671 HydrophobicContact CE3-CZ2 4.3Å; W664-W671 AromaticContact CE3-NE1 3.44Å; W664-W671 AromaticContact CZ3-CD1 3.65Å; W664-W671 HydrophobicContact CZ3-CG 4.28Å; W664-W671 AromaticContact CZ3-NE1 3.67Å; W671-L673 PolarHBondContact O-N 2.82Å |
| 672 | K | 86.6 | Confident | 77.6 | Confident | 112 Ų | 112 | 97.2 Ų | 97.2 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 108.6 | 166.3 | -74.8 | 173.3 | 175.3 | 164.5 | 0 | 108.1 | A662 V663 D665 | A662-K672 CarbonylContact C-O 3.56Å; A662-K672 VanDerWaalsContact CA-O 3.28Å; A662-K672 WeakPolarHBondContact CA-O 3.35Å; V663-K672 PolarHBondContact N-O 3.05Å; V663-K672 PolarHBondContact O-N 3.15Å; D665-K672 HydrophobicContact CB-CD 3.87Å; D665-K672 HydrophobicContact CB-CG 4.06Å; D665-K672 WeakPolarHBondContact OD1-CE 3.28Å; D665-K672 IonicContact OD1-NZ 3.54Å; D665-K672 PolarHBondContact OD1-NZ 2.75Å; D665-K672 WeakPolarHBondContact OD2-CE 3.4Å; D665-K672 IonicContact OD2-NZ 3.46Å; D665-K672 PolarHBondContact OD2-NZ 3.09Å; D665-K672 VanDerWaalsContact OD2-NZ 3.11Å |
| 673 | L | 89.3 | Confident | 76 | Confident | 95 Ų | 95 | 104.2 Ų | 104.2 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 151.2 | 175.4 | -58.3 | 179.3 | 0 | 0 | 0 | 110.2 | Y652 V658 A662 W671 | Y652-L673 HydrophobicContact CE1-CD1 4.33Å; Y652-L673 VanDerWaalsContact OH-CB 3.31Å; Y652-L673 WeakPolarHBondContact OH-CB 3.5Å; V658-L673 HydrophobicContact CG1-CD2 4.16Å; A662-L673 HydrophobicContact CB-CD2 3.9Å; W671-L673 PolarHBondContact O-N 2.82Å |
| 674 | P | 87.7 | Confident | 74.2 | Confident | 23 Ų | 23 | 105.7 Ų | 105.7 | 15% | 0.149 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -62.9 | 151.9 | 173.1 | 28.6 | -38 | 0 | 0 | 0 | 111.9 | Y652 V658 E661 | Y652-P674 VanDerWaalsContact CE2-O 3.24Å; Y652-P674 WeakPolarHBondContact CE2-O 3.48Å; Y652-P674 PolarHBondContact OH-O 3.31Å; V658-P674 HydrophobicContact CG1-CG 4.3Å; E661-P674 HydrophobicContact CB-CB 4.01Å; E661-P674 HydrophobicContact CB-CG 3.84Å |
| 675 | D | 85.4 | Confident | 72.4 | Confident | 136 Ų | 136 | 106 Ų | 106 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 150.6 | 178 | -70.1 | -55.7 | 0 | 0 | 0 | 113.1 | N651 M677 | N651-D675 PolarHBondContact ND2-O 3.18Å; N651-D675 PolarHBondContact OD1-O 3.03Å; D675-M677 PolarHBondContact O-N 3.48Å; D675-M677 VanDerWaalsContact O-N 3.15Å |
| 676 | V | 83.6 | Confident | 70.3 | Confident | 102 Ų | 102 | 108.7 Ų | 108.7 | 62% | 0.618 | 60% | 0.599 | S | S | * | * | trans | -76.3 | 102.6 | -179.1 | -176 | 0 | 0 | 0 | 0 | 109.7 | Y652 | Y652-V676 HydrophobicContact CD2-CB 4.47Å; Y652-V676 HydrophobicContact CD2-CG1 4.48Å; Y652-V676 HydrophobicContact CD2-CG2 4.03Å; Y652-V676 HydrophobicContact CE2-CB 4.3Å; Y652-V676 HydrophobicContact CE2-CG2 3.63Å | ||
| 677 | M | 79.4 | Confident | 68.9 | Low | 105 Ų | 105 | 108.6 Ų | 108.6 | 52% | 0.517 | 61% | 0.607 | S | S | . | * | trans | -109.8 | 128.6 | -179.9 | -70.2 | -171.9 | -76.7 | 0 | 0 | 111.4 | C650 N651 D675 | C650-M677 WeakPolarHBondContact CA-O 3.48Å; N651-M677 PolarHBondContact N-O 2.74Å; N651-M677 VanDerWaalsContact N-O 3.07Å; N651-M677 PolarHBondContact OD1-N 3.36Å; N651-M677 PolarHBondContact OD1-O 3.42Å; D675-M677 PolarHBondContact O-N 3.48Å; D675-M677 VanDerWaalsContact O-N 3.15Å | ||
| 678 | V | 80.8 | Confident | 68.1 | Low | 65 Ų | 65 | 109.6 Ų | 109.6 | 39% | 0.394 | 62% | 0.617 | S | S | . | * | B | Isolated β-bridge | trans | -110.5 | 111 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | D649 C650 K680 | D649-V678 HydrophobicContact CB-CG1 4.32Å; D649-V678 CarbonylContact O-C 3.56Å; D649-V678 WeakPolarHBondContact O-CA 3.23Å; D649-V678 WeakPolarHBondContact OD2-CG1 3.46Å; C650-V678 HydrophobicContact CB-CG2 4.31Å; V678-K680 PolarHBondContact O-N 3.1Å |
| 679 | Q | 70.4 | Confident | 66.9 | Low | 136 Ų | 136 | 113.2 Ų | 113.2 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | trans | -77.9 | 89.3 | -177.6 | -65.9 | -169.7 | -39 | 0 | 0 | 111.2 | D649 T681 | D649-Q679 PolarHBondContact O-N 2.92Å; Q679-T681 PolarHBondContact O-N 3.36Å | ||
| 680 | K | 65.9 | Low | 65.1 | Low | 186 Ų | 186 | 117.4 Ų | 117.4 | 81% | 0.809 | 66% | 0.657 | S | S | * | * | trans | -64.7 | 99.7 | 170.1 | -70.3 | -176.2 | -180 | 178.7 | 0 | 110.3 | V678 T682 | V678-K680 PolarHBondContact O-N 3.1Å; K680-T682 PolarHBondContact O-N 3.11Å | ||
| 681 | T | 58.7 | Low | 63.3 | Low | 129 Ų | 129 | 120.2 Ų | 120.2 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | trans | -75.6 | 98.1 | 170.9 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | Q679 | Q679-T681 PolarHBondContact O-N 3.36Š| ||
| 682 | T | 59.8 | Low | 60.9 | Low | 132 Ų | 132 | 117.9 Ų | 117.9 | 81% | 0.81 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 135.1 | 160.1 | 40.1 | 0 | 0 | 0 | 0 | 109.4 | K680 | K680-T682 PolarHBondContact O-N 3.11Š|
| 683 | L | 55.7 | Low | 58.4 | Low | 161 Ų | 161 | 117.6 Ų | 117.6 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 141 | 173.1 | -69.1 | 170.2 | 0 | 0 | 0 | 109.5 | S685 | L683-S685 PolarHBondContact O-N 3.08Š|
| 684 | P | 52.7 | Low | 55.5 | Low | 122 Ų | 122 | 118.7 Ų | 118.7 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.3 | 169.1 | -21.2 | 32.9 | 0 | 0 | 0 | 110.4 | ||
| 685 | S | 50.6 | Low | 52.7 | Low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 136 | 173.5 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | L683 V687 | L683-S685 PolarHBondContact O-N 3.08Å; S685-V687 PolarHBondContact O-N 3.12Å |
| 686 | A | 40.8 | Very low | 50.1 | Low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -75.5 | 115.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T688 | A686-T688 PolarHBondContact O-N 3.33Š| ||
| 687 | V | 43.9 | Very low | 47.7 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | -71 | 108 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | S685 | S685-V687 PolarHBondContact O-N 3.12Š| ||
| 688 | T | 38.9 | Very low | 45.4 | Very low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 143.1 | 167.3 | 45.1 | 0 | 0 | 0 | 0 | 110.5 | A686 | A686-T688 PolarHBondContact O-N 3.33Š|
| 689 | P | 41 | Very low | 43.6 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 139.8 | 176.4 | 30.1 | -33.5 | 0 | 0 | 0 | 111.9 | ||
| 690 | N | 34.4 | Very low | 41.9 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 157.1 | -176.6 | -63.7 | -17.5 | 0 | 0 | 0 | 114.6 | ||
| 691 | P | 39.4 | Very low | 40.9 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | -107.2 | 168 | 122.1 | 33.4 | -33.8 | 0 | 0 | 0 | 112 | |||||
| 692 | S | 34.8 | Very low | 40 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -96.4 | 159.9 | -158.9 | 55.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 693 | S | 33 | Very low | 39.1 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 101.2 | 151.9 | 144.7 | 80 | 0 | 0 | 0 | 0 | 120 | ||||
| 694 | C | 27.7 | Very low | 38.3 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 72.5 | 89.7 | 163.2 | -63.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 695 | R | 30.7 | Very low | 37.8 | Very low | 224 Ų | 224 | 124.9 Ų | 124.9 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | 42.2 | 130.7 | 122 | -79.6 | -171.5 | -175.2 | 175.3 | 0.5 | 121.9 | |||||
| 696 | D | 30.2 | Very low | 37.6 | Very low | 132 Ų | 132 | 124 Ų | 124 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 76.1 | 119 | 138.1 | -53.6 | -24.9 | 0 | 0 | 0 | 121.8 | ||||
| 697 | S | 32.2 | Very low | 38 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | 96.7 | 142.3 | 138.7 | 77.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 698 | C | 31.7 | Very low | 38.2 | Very low | 135 Ų | 135 | 124 Ų | 124 | 91% | 0.912 | 73% | 0.731 | S | S | * | * | trans | 74 | 154.5 | 159.7 | -69.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 699 | S | 43.6 | Very low | 38.8 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -121.6 | 153.5 | -167.5 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 700 | D | 33.5 | Very low | 39.2 | Very low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | -139.8 | 120 | 171.3 | -140.8 | -25.4 | 0 | 0 | 0 | 111.6 | A702 | D700-A702 PolarHBondContact O-N 2.92Š| ||
| 701 | P | 44.9 | Very low | 40 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | trans | -96 | 34.2 | -167.6 | 38.5 | -37.2 | 0 | 0 | 0 | 114.6 | ||||
| 702 | A | 40.3 | Very low | 40.7 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 60% | 0.603 | 69% | 0.69 | S | S | * | * | trans | -77.6 | -30 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | D700 | D700-A702 PolarHBondContact O-N 2.92Š| ||
| 703 | E | 40.3 | Very low | 41.5 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -22.6 | -170.3 | -84.8 | -171.5 | 134.6 | 0 | 0 | 115.5 | L705 | E703-L705 VanDerWaalsContact C-N 3.31Å; E703-L705 PolarHBondContact O-N 3.47Å |
| 704 | S | 40.1 | Very low | 42 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 57% | 0.566 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.7 | -26.6 | -170.2 | -166 | 0 | 0 | 0 | 0 | 114.2 | ||
| 705 | L | 42.7 | Very low | 43.6 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.9 | -27.1 | -174.8 | -75.6 | 164.7 | 0 | 0 | 0 | 113.7 | E703 | E703-L705 VanDerWaalsContact C-N 3.31Å; E703-L705 PolarHBondContact O-N 3.47Å |
| 706 | T | 45.8 | Very low | 44.6 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 61% | 0.613 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.5 | -35.1 | -174.4 | -38.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 707 | I | 49.3 | Very low | 45.5 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.8 | -41.3 | -172.7 | -60.4 | 175.7 | 0 | 0 | 0 | 111.3 | V709 E710 E711 | I707-V709 VanDerWaalsContact C-N 3.29Å; I707-V709 PolarHBondContact O-N 3.22Å; I707-E710 PolarHBondContact O-N 2.87Å; I707-E710 VanDerWaalsContact O-N 3.13Å; I707-E711 PolarHBondContact O-N 2.68Å; I707-E711 VanDerWaalsContact O-N 3.13Å |
| 708 | Q | 48.3 | Very low | 46.4 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.7 | -37.8 | -178.1 | -66.1 | -178.6 | -20.4 | 0 | 0 | 112.2 | E710 E711 D712 | Q708-E710 VanDerWaalsContact C-N 3.29Å; Q708-E710 PolarHBondContact O-N 3Å; Q708-E711 PolarHBondContact O-N 3.17Å; Q708-D712 PolarHBondContact O-N 3.07Å |
| 709 | V | 51.6 | Low | 47.3 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 66% | 0.661 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.3 | -29.5 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | I707 R713 | I707-V709 VanDerWaalsContact C-N 3.29Å; I707-V709 PolarHBondContact O-N 3.22Å; V709-R713 WeakPolarHBondContact O-CB 3.02Å |
| 710 | E | 47.8 | Very low | 47.7 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79 | -41.9 | 174.2 | -64.5 | -152.7 | 127.3 | 0 | 0 | 112.3 | I707 Q708 D712 R713 Y714 | I707-E710 PolarHBondContact O-N 2.87Å; I707-E710 VanDerWaalsContact O-N 3.13Å; Q708-E710 VanDerWaalsContact C-N 3.29Å; Q708-E710 PolarHBondContact O-N 3Å; E710-D712 PolarHBondContact O-N 3.44Å; E710-R713 WeakPolarHBondContact O-CB 3.34Å; E710-R713 PolarHBondContact O-N 3.01Å; E710-Y714 WeakPolarHBondContact O-CD2 3.37Å; E710-Y714 PolarHBondContact O-N 3.16Å; E710-Y714 VanDerWaalsContact O-N 3.08Å |
| 711 | E | 51.4 | Low | 48.5 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 54% | 0.542 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.2 | -44.6 | -179.4 | -71.2 | -156 | 142.6 | 0 | 0 | 113 | I707 Q708 R713 Y714 K715 | I707-E711 PolarHBondContact O-N 2.68Å; I707-E711 VanDerWaalsContact O-N 3.13Å; Q708-E711 PolarHBondContact O-N 3.17Å; E711-R713 VanDerWaalsContact C-N 3.29Å; E711-R713 PolarHBondContact O-N 3.49Å; E711-Y714 PolarHBondContact O-N 3.28Å; E711-Y714 VanDerWaalsContact O-N 3.13Å; E711-K715 WeakPolarHBondContact O-CG 3.45Å; E711-K715 PolarHBondContact O-N 3.08Å |
| 712 | D | 55.3 | Low | 48.5 | Very low | 95 Ų | 95 | 123 Ų | 123 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.2 | -32.5 | 178.9 | -75.6 | -15.1 | 0 | 0 | 0 | 112 | Q708 E710 Y714 K715 E716 | Q708-D712 PolarHBondContact O-N 3.07Å; E710-D712 PolarHBondContact O-N 3.44Å; D712-Y714 VanDerWaalsContact C-N 3.31Å; D712-Y714 PolarHBondContact O-N 2.98Å; D712-K715 PolarHBondContact O-N 3.44Å; D712-K715 IonicContact OD1-NZ 2.72Å; D712-K715 PolarHBondContact OD1-NZ 3.2Å; D712-E716 PolarHBondContact O-N 3.41Å |
| 713 | R | 50.9 | Low | 49 | Very low | 195 Ų | 195 | 124.3 Ų | 124.3 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.7 | -36 | 171.9 | -163.1 | -178.2 | -165.7 | -154.1 | 5.3 | 112.3 | V709 E710 E711 M717 | V709-R713 WeakPolarHBondContact O-CB 3.02Å; E710-R713 WeakPolarHBondContact O-CB 3.34Å; E710-R713 PolarHBondContact O-N 3.01Å; E711-R713 VanDerWaalsContact C-N 3.29Å; E711-R713 PolarHBondContact O-N 3.49Å; R713-M717 WeakPolarHBondContact O-CB 3.38Å; R713-M717 PolarHBondContact O-N 3.13Å |
| 714 | Y | 44.1 | Very low | 49.3 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.4 | -37.4 | 173.8 | -86.6 | -75 | 0 | 0 | 0 | 112.8 | E710 E711 D712 M717 L718 | E710-Y714 WeakPolarHBondContact O-CD2 3.37Å; E710-Y714 PolarHBondContact O-N 3.16Å; E710-Y714 VanDerWaalsContact O-N 3.08Å; E711-Y714 PolarHBondContact O-N 3.28Å; E711-Y714 VanDerWaalsContact O-N 3.13Å; D712-Y714 VanDerWaalsContact C-N 3.31Å; D712-Y714 PolarHBondContact O-N 2.98Å; Y714-M717 HydrophobicContact CD1-CE 3.56Å; Y714-M717 HydrophobicContact CE1-CE 3.59Å; Y714-M717 PolarHBondContact O-N 3.38Å; Y714-L718 PolarHBondContact O-N 3.14Å; Y714-L718 VanDerWaalsContact O-N 3.14Å |
| 715 | K | 60.1 | Low | 49.6 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 48% | 0.478 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.9 | -46.2 | 173.5 | -67.2 | 171.2 | -161.4 | 153.5 | 0 | 111.6 | E711 D712 M717 L718 N719 | E711-K715 WeakPolarHBondContact O-CG 3.45Å; E711-K715 PolarHBondContact O-N 3.08Å; D712-K715 PolarHBondContact O-N 3.44Å; D712-K715 IonicContact OD1-NZ 2.72Å; D712-K715 PolarHBondContact OD1-NZ 3.2Å; K715-M717 VanDerWaalsContact C-N 3.29Å; K715-M717 PolarHBondContact O-N 3.13Å; K715-L718 WeakPolarHBondContact O-CB 3.32Å; K715-L718 PolarHBondContact O-N 3.49Å; K715-L718 VanDerWaalsContact O-N 3.11Å; K715-N719 PolarHBondContact O-N 2.77Å; K715-N719 VanDerWaalsContact O-N 3.1Å |
| 716 | E | 52.3 | Low | 50 | Low | 106 Ų | 106 | 126.1 Ų | 126.1 | 50% | 0.495 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.8 | -35.6 | 178.7 | -149.1 | -151.1 | 147.2 | 0 | 0 | 112.1 | D712 L718 R720 | D712-E716 PolarHBondContact O-N 3.41Å; E716-L718 VanDerWaalsContact C-N 3.28Å; E716-L718 PolarHBondContact O-N 3.37Å; E716-R720 WeakPolarHBondContact O-CG 3.4Å; E716-R720 PolarHBondContact O-N 2.99Å; E716-R720 IonicContact OE1-CZ 2.78Å; E716-R720 IonicContact OE1-NE 3.49Å; E716-R720 PolarHBondContact OE1-NE 3.23Å; E716-R720 IonicContact OE1-NH2 2.88Å; E716-R720 PolarHBondContact OE1-NH2 2.96Å |
| 717 | M | 49.9 | Very low | 49.8 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.9 | -15.3 | 176.7 | -168.8 | 174.7 | 58.9 | 0 | 0 | 113.8 | R713 Y714 K715 | R713-M717 WeakPolarHBondContact O-CB 3.38Å; R713-M717 PolarHBondContact O-N 3.13Å; Y714-M717 HydrophobicContact CD1-CE 3.56Å; Y714-M717 HydrophobicContact CE1-CE 3.59Å; Y714-M717 PolarHBondContact O-N 3.38Å; K715-M717 VanDerWaalsContact C-N 3.29Å; K715-M717 PolarHBondContact O-N 3.13Å |
| 718 | L | 49.6 | Very low | 50 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.5 | -52.4 | 169.8 | -81.4 | 161.9 | 0 | 0 | 0 | 111.1 | Y714 K715 E716 R720 K721 | Y714-L718 PolarHBondContact O-N 3.14Å; Y714-L718 VanDerWaalsContact O-N 3.14Å; K715-L718 WeakPolarHBondContact O-CB 3.32Å; K715-L718 PolarHBondContact O-N 3.49Å; K715-L718 VanDerWaalsContact O-N 3.11Å; E716-L718 VanDerWaalsContact C-N 3.28Å; E716-L718 PolarHBondContact O-N 3.37Å; L718-R720 PolarHBondContact O-N 3.43Å; L718-K721 WeakPolarHBondContact O-CB 3.42Å; L718-K721 PolarHBondContact O-N 3.39Å |
| 719 | N | 51.1 | Low | 50.1 | Low | 133 Ų | 133 | 121.3 Ų | 121.3 | 71% | 0.711 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.6 | -22 | -178 | -74.1 | 1.8 | 0 | 0 | 0 | 113.9 | K715 K721 | K715-N719 PolarHBondContact O-N 2.77Å; K715-N719 VanDerWaalsContact O-N 3.1Å; N719-K721 VanDerWaalsContact C-N 3.32Å; N719-K721 PolarHBondContact O-N 3.1Å |
| 720 | R | 52.2 | Low | 50.1 | Low | 175 Ų | 175 | 125.8 Ų | 125.8 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -2.7 | 174.2 | -70.9 | 176.4 | -179.4 | -135.7 | 8.8 | 114.8 | E716 L718 | E716-R720 WeakPolarHBondContact O-CG 3.4Å; E716-R720 PolarHBondContact O-N 2.99Å; E716-R720 IonicContact OE1-CZ 2.78Å; E716-R720 IonicContact OE1-NE 3.49Å; E716-R720 PolarHBondContact OE1-NE 3.23Å; E716-R720 IonicContact OE1-NH2 2.88Å; E716-R720 PolarHBondContact OE1-NH2 2.96Å; L718-R720 PolarHBondContact O-N 3.43Å |
| 721 | K | 50.3 | Low | 49.7 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 57% | 0.57 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -103 | -17 | -171.9 | -75.8 | -179.6 | 178.4 | 170.7 | 0 | 116.6 | L718 N719 S723 | L718-K721 WeakPolarHBondContact O-CB 3.42Å; L718-K721 PolarHBondContact O-N 3.39Å; N719-K721 VanDerWaalsContact C-N 3.32Å; N719-K721 PolarHBondContact O-N 3.1Å; K721-S723 PolarHBondContact O-N 2.97Å; K721-S723 VanDerWaalsContact O-N 3.09Å |
| 722 | D | 44.7 | Very low | 49.3 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 5.1 | -176 | -66.9 | -27.6 | 0 | 0 | 0 | 114.3 | ||
| 723 | S | 51.6 | Low | 48.7 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -12.5 | -179.8 | 56 | 0 | 0 | 0 | 0 | 115.6 | K721 | K721-S723 PolarHBondContact O-N 2.97Å; K721-S723 VanDerWaalsContact O-N 3.09Å |
| 724 | E | 45.6 | Very low | 48.4 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -113 | 80.4 | -172.7 | -71 | -155.9 | 165 | 0 | 0 | 115.4 | I726 | E724-I726 PolarHBondContact O-N 2.64Š|
| 725 | N | 48 | Very low | 48.3 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 66% | 0.658 | 65% | 0.654 | S | S | * | * | trans | 13.2 | 75.6 | 149.5 | -154.8 | -18.8 | 0 | 0 | 0 | 117.7 | A727 S728 | N725-A727 PolarHBondContact O-N 3.39Å; N725-A727 VanDerWaalsContact O-N 3.07Å; N725-S728 WeakPolarHBondContact O-CB 3.36Å; N725-S728 PolarHBondContact O-N 3.27Å; N725-S728 VanDerWaalsContact O-N 3.1Å; N725-S728 PolarHBondContact O-OG 3.28Å | ||
| 726 | I | 49.3 | Very low | 47.4 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 74% | 0.744 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -32.9 | -173.9 | -73.6 | 170.5 | 0 | 0 | 0 | 114.3 | E724 S728 N729 | E724-I726 PolarHBondContact O-N 2.64Å; I726-S728 PolarHBondContact O-N 3.43Å; I726-S728 VanDerWaalsContact O-N 3.16Å; I726-N729 PolarHBondContact O-N 3.28Å |
| 727 | A | 43.3 | Very low | 46.9 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.9 | -27.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N725 N729 | N725-A727 PolarHBondContact O-N 3.39Å; N725-A727 VanDerWaalsContact O-N 3.07Å; A727-N729 PolarHBondContact O-N 3.26Å |
| 728 | S | 52.3 | Low | 46.8 | Very low | 70 Ų | 70 | 133 Ų | 133 | 49% | 0.49 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -74 | -23.3 | -173.8 | 66.8 | 0 | 0 | 0 | 0 | 115.1 | N725 I726 | N725-S728 WeakPolarHBondContact O-CB 3.36Å; N725-S728 PolarHBondContact O-N 3.27Å; N725-S728 VanDerWaalsContact O-N 3.1Å; N725-S728 PolarHBondContact O-OG 3.28Å; I726-S728 PolarHBondContact O-N 3.43Å; I726-S728 VanDerWaalsContact O-N 3.16Å |
| 729 | N | 51.3 | Low | 46.5 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 46% | 0.46 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -100 | -21.3 | -177 | -81.5 | -43.6 | 0 | 0 | 0 | 113.5 | I726 A727 F731 K732 | I726-N729 PolarHBondContact O-N 3.28Å; A727-N729 PolarHBondContact O-N 3.26Å; N729-F731 VanDerWaalsContact C-N 3.27Å; N729-F731 PolarHBondContact O-N 3.13Å; N729-K732 PolarHBondContact O-N 3.33Å; N729-K732 WeakPolarHBondContact OD1-CD 3.46Å; N729-K732 WeakPolarHBondContact OD1-CE 3.49Å; N729-K732 PolarHBondContact OD1-NZ 3.32Å |
| 730 | Y | 50.2 | Low | 46 | Very low | 203 Ų | 203 | 135.9 Ų | 135.9 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66.3 | -26.3 | -174.2 | -154.3 | -92.2 | 0 | 0 | 0 | 113.8 | ||
| 731 | F | 39.9 | Very low | 45.2 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 82% | 0.82 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 8.3 | 179.7 | -69.9 | -75.4 | 0 | 0 | 0 | 114.8 | N729 S733 | N729-F731 VanDerWaalsContact C-N 3.27Å; N729-F731 PolarHBondContact O-N 3.13Å; F731-S733 PolarHBondContact O-N 3.17Å; F731-S733 VanDerWaalsContact O-N 3.1Å |
| 732 | K | 42.9 | Very low | 44.6 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | trans | -76.7 | 99.1 | 174.8 | -72.9 | 179.6 | -177.2 | 167.1 | 0 | 110.6 | N729 K734 | N729-K732 PolarHBondContact O-N 3.33Å; N729-K732 WeakPolarHBondContact OD1-CD 3.46Å; N729-K732 WeakPolarHBondContact OD1-CE 3.49Å; N729-K732 PolarHBondContact OD1-NZ 3.32Å; K732-K734 PolarHBondContact O-N 2.74Å | ||
| 733 | S | 42.9 | Very low | 44 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | -54.2 | 108 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | F731 R735 | F731-S733 PolarHBondContact O-N 3.17Å; F731-S733 VanDerWaalsContact O-N 3.1Å; S733-R735 PolarHBondContact O-N 3.1Å | ||
| 734 | K | 45.7 | Very low | 43.1 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | -68.9 | 101 | 169 | -77.9 | -164.2 | 173.1 | -170 | 0 | 109.8 | K732 | K732-K734 PolarHBondContact O-N 2.74Š| ||
| 735 | R | 40.3 | Very low | 42.5 | Very low | 209 Ų | 209 | 128.9 Ų | 128.9 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | trans | -59.6 | 147.7 | -179.5 | -153.3 | 175.9 | -163.2 | 161.7 | 3.5 | 110.9 | S733 S737 | S733-R735 PolarHBondContact O-N 3.1Å; R735-S737 PolarHBondContact O-N 3.02Å | ||
| 736 | A | 42.8 | Very low | 41.8 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 56% | 0.562 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -62.6 | -2.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q738 L739 | A736-Q738 PolarHBondContact O-N 3.03Å; A736-Q738 VanDerWaalsContact O-N 3.1Å; A736-L739 PolarHBondContact O-N 3.28Å |
| 737 | S | 41.8 | Very low | 40.8 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -68.5 | -0.5 | 179.4 | 50.8 | 0 | 0 | 0 | 0 | 115.1 | R735 | R735-S737 PolarHBondContact O-N 3.02Š|
| 738 | Q | 46.5 | Very low | 40.2 | Very low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -108.2 | 6.5 | 176.8 | -140.3 | 169.2 | 21 | 0 | 0 | 113.5 | A736 | A736-Q738 PolarHBondContact O-N 3.03Å; A736-Q738 VanDerWaalsContact O-N 3.1Å |
| 739 | L | 43.3 | Very low | 39.1 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -123 | 6.9 | 177.7 | -68.8 | 173.9 | 0 | 0 | 0 | 113.3 | A736 | A736-L739 PolarHBondContact O-N 3.28Š|
| 740 | L | 41.3 | Very low | 38.1 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -130.1 | 15.1 | -174.7 | -68.8 | 172.8 | 0 | 0 | 0 | 113.3 | ||
| 741 | S | 36 | Very low | 37.1 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -102.2 | 73.4 | 173.6 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 742 | G | 36.6 | Very low | 36.5 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -138 | 126.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | A744 | G742-A744 PolarHBondContact O-N 3.1Š|
| 743 | D | 32.9 | Very low | 35.8 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | -72.5 | 126.6 | -155.4 | -65 | -72.9 | 0 | 0 | 0 | 115.8 | ||||
| 744 | A | 31.8 | Very low | 35.1 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | -151.7 | 52.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G742 | G742-A744 PolarHBondContact O-N 3.1Š| ||
| 745 | V | 33.5 | Very low | 34.2 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 1.5 | 108.8 | 160 | -172.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 746 | K | 32.3 | Very low | 33.6 | Very low | 204 Ų | 204 | 137.2 Ų | 137.2 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | trans | 173.3 | 146.8 | 133.3 | -99.3 | 159.4 | -173.3 | 176 | 0 | 114.7 | ||||
| 747 | G | 29.6 | Very low | 32.9 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | 75.5 | 87.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 748 | L | 29.7 | Very low | 32.2 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 53.7 | 108.6 | 91 | -101.2 | 73.9 | 0 | 0 | 0 | 116.3 | |||||
| 749 | E | 29.3 | Very low | 31.3 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | 68.9 | 150.4 | 127 | -71.2 | -173.6 | -135.5 | 0 | 0 | 121 | |||||
| 750 | S | 30.9 | Very low | 30.6 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 56% | 0.559 | 77% | 0.774 | S | S | * | * | cis | -155.5 | 173.3 | -1.8 | -118.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 751 | Y | 27.9 | Very low | 30 | Very low | 204 Ų | 204 | 131.5 Ų | 131.5 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -16.2 | 153.4 | 161 | -63.8 | -92.4 | 0 | 0 | 0 | 118.3 | ||||
| 752 | R | 28.5 | Very low | 29.6 | Very low | 238 Ų | 238 | 136.3 Ų | 136.3 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | cis | -164.2 | -179.7 | 42.7 | -145.6 | 161.6 | -166.1 | 175.5 | 4.4 | 115.2 | ||||
| 753 | H | 27.4 | Very low | 29.2 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -68.7 | 166.9 | -174.5 | -97.2 | -108 | 0 | 0 | 0 | 118.4 | ||||
| 754 | Q | 28.8 | Very low | 29 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | 73.7 | 129.2 | 150.6 | -75.4 | 152.6 | -33.1 | 0 | 0 | 116.4 | ||||
| 755 | I | 26.9 | Very low | 28.9 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | 64.2 | 113.2 | 56.4 | -56.4 | 167.6 | 0 | 0 | 0 | 108.3 | |||||
| 756 | D | 27.6 | Very low | 28.8 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | -155.3 | -173.1 | 63.3 | -150.1 | -5.3 | 0 | 0 | 0 | 116 | |||||
| 757 | T | 28.2 | Very low | 28.6 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -23.8 | 149.8 | 172.2 | 55.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 758 | G | 28.2 | Very low | 28.7 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | trans | 177.2 | 99.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 759 | S | 27.5 | Very low | 28.7 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -56.1 | 136.2 | 179.1 | 171.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 760 | A | 28.6 | Very low | 29.4 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 31.9 | 132 | 145.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 761 | G | 27.6 | Very low | 29.3 | Very low | 68 Ų | 68 | 137.9 Ų | 137.9 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -172 | 73.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 762 | Y | 28.1 | Very low | 29.5 | Very low | 205 Ų | 205 | 134.2 Ų | 134.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 43.6 | 142 | 146.4 | -75 | -72.4 | 0 | 0 | 0 | 124.5 | ||||
| 763 | H | 27.9 | Very low | 29.6 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | 59.9 | 115.2 | 139.4 | -71.4 | -37.7 | 0 | 0 | 0 | 119.7 | ||||
| 764 | S | 27.9 | Very low | 29.8 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | 105.9 | 157.1 | 76 | -77.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 765 | V | 30.7 | Very low | 30 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | cis | -162.3 | 145.8 | -14.3 | 131.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 766 | N | 30.2 | Very low | 30.5 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 62.6 | 154.6 | 171.6 | -63.3 | -18.8 | 0 | 0 | 0 | 117.3 | ||||
| 767 | G | 28.7 | Very low | 30.7 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | cis | 168.2 | -167.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 768 | M | 31.2 | Very low | 31.1 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 98% | 0.975 | 78% | 0.779 | S | S | * | * | trans | 78.8 | 105.5 | 171 | -62.6 | 178.6 | 163.4 | 0 | 0 | 119.1 | ||||
| 769 | N | 30.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -65.7 | 174.1 | 154.3 | -91.5 | -22.8 | 0 | 0 | 0 | 111.3 | ||||
| 770 | P | 43.6 | Very low | 31.7 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -152 | 168.7 | 32.2 | 42.8 | -22 | 0 | 0 | 0 | 120.9 | ||||
| 771 | S | 28.2 | Very low | 32.1 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 68.7 | 148.8 | 150.9 | 73.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 772 | T | 33.2 | Very low | 32.3 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -141.8 | 166.3 | 23.7 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 773 | R | 30 | Very low | 32.4 | Very low | 240 Ų | 240 | 146.8 Ų | 146.8 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | 8.6 | 141.2 | 153.1 | -66.9 | 176.9 | -179.7 | 173.2 | -0.9 | 119.2 | ||||
| 774 | S | 31.8 | Very low | 32.7 | Very low | 101 Ų | 101 | 147.4 Ų | 147.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | cis | -166.4 | 153.3 | 15 | 44.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 775 | D | 33.7 | Very low | 32.9 | Very low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | 70.4 | 152.2 | 146.2 | -74.7 | 27.8 | 0 | 0 | 0 | 120.9 | ||||
| 776 | P | 36.4 | Very low | 33.2 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | -137.9 | 162.6 | -125.6 | 41.1 | -23.9 | 0 | 0 | 0 | 119.3 | |||||
| 777 | V | 32.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | trans | 70 | 126 | 145.9 | 166.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 778 | L | 35.8 | Very low | 33.5 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | -143.8 | 140.9 | 65.7 | -77.9 | 162.8 | 0 | 0 | 0 | 114.8 | |||||
| 779 | P | 34 | Very low | 33.7 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 167.4 | 169.6 | 37.2 | -34.1 | 0 | 0 | 0 | 113.9 | ||
| 780 | R | 34.5 | Very low | 33.6 | Very low | 234 Ų | 234 | 152 Ų | 152 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 165.5 | 170.5 | -93.8 | -170.9 | -177 | -155 | 2.3 | 112.1 | ||
| 781 | P | 37.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 157 | -147.8 | 32.6 | -37.6 | 0 | 0 | 0 | 115.5 | ||
| 782 | F | 31.1 | Very low | 33.7 | Very low | 207 Ų | 207 | 153.9 Ų | 153.9 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -99 | 163.3 | 170.5 | -97.8 | -92 | 0 | 0 | 0 | 113.3 | ||
| 783 | R | 32 | Very low | 33.7 | Very low | 228 Ų | 228 | 155.6 Ų | 155.6 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 139.6 | 179.5 | -167.7 | -180 | -165.3 | 146.3 | -3 | 110.4 | ||
| 784 | L | 33.8 | Very low | 33.9 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 136.1 | 172.2 | -85.6 | 167.3 | 0 | 0 | 0 | 111.1 | ||
| 785 | E | 32.1 | Very low | 34 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -106.3 | 175.3 | 173 | -65.2 | -173.7 | 135.3 | 0 | 0 | 110.9 | ||||
| 786 | S | 37.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -60.6 | 136.9 | -178.7 | -51 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 787 | L | 33.4 | Very low | 34.1 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -101.5 | 107.9 | 170.7 | -82.8 | 167.8 | 0 | 0 | 0 | 111.2 | ||||
| 788 | E | 31.2 | Very low | 34.1 | Very low | 183 Ų | 183 | 160.6 Ų | 160.6 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -74.5 | 141.4 | 160.6 | -62.1 | -172.6 | 148.1 | 0 | 0 | 109.9 | ||||
| 789 | V | 34.7 | Very low | 33.9 | Very low | 137 Ų | 137 | 164.5 Ų | 164.5 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | trans | -107 | 114.2 | -177.2 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 790 | S | 30.2 | Very low | 33.9 | Very low | 111 Ų | 111 | 168.2 Ų | 168.2 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 142.5 | 178.5 | -66 | 0 | 0 | 0 | 0 | 112.9 | ||
| 791 | V | 36.2 | Very low | 33.8 | Very low | 134 Ų | 134 | 162.7 Ų | 162.7 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 124.7 | -179.6 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 792 | P | 36.2 | Very low | 33.5 | Very low | 122 Ų | 122 | 165.9 Ų | 165.9 | 79% | 0.792 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 121.4 | 174.4 | 31.4 | -32.4 | 0 | 0 | 0 | 111.7 | G794 | P792-G794 PolarHBondContact O-N 2.89Š|
| 793 | N | 34.6 | Very low | 33.6 | Very low | 163 Ų | 163 | 161.2 Ų | 161.2 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | trans | -90.6 | 101.6 | -174 | -160.2 | -17.2 | 0 | 0 | 0 | 111.6 | ||||
| 794 | G | 32.7 | Very low | 33.5 | Very low | 68 Ų | 68 | 158.2 Ų | 158.2 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | -118.6 | 109.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P792 | P792-G794 PolarHBondContact O-N 2.89Š| ||
| 795 | K | 34.8 | Very low | 33.6 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 125.9 | 179.2 | -65.2 | 177.4 | -179.6 | 175.9 | 0 | 112.1 | ||
| 796 | P | 37.7 | Very low | 33.6 | Very low | 124 Ų | 124 | 157.1 Ų | 157.1 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 126.4 | 179.4 | 29.6 | -33.9 | 0 | 0 | 0 | 112.7 | ||
| 797 | K | 33.6 | Very low | 33.5 | Very low | 206 Ų | 206 | 156.1 Ų | 156.1 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 121.8 | 169.5 | -78.9 | -177.1 | 175.7 | 176.9 | 0 | 110.6 | R799 | K797-R799 PolarHBondContact O-N 3.49Š|
| 798 | R | 32.7 | Very low | 34.1 | Very low | 233 Ų | 233 | 157.8 Ų | 157.8 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -62.4 | 114.1 | 174 | -69.6 | 168.9 | 71.8 | 173 | 4.5 | 110.9 | ||||
| 799 | R | 33.1 | Very low | 34.6 | Very low | 249 Ų | 249 | 156.5 Ų | 156.5 | 94% | 0.94 | 85% | 0.853 | S | S | * | * | trans | -88 | 123.8 | 157.5 | -102.6 | -178.6 | 159.5 | -179.1 | -6.8 | 108.6 | K797 | K797-R799 PolarHBondContact O-N 3.49Š| ||
| 800 | K | 32.6 | Very low | 34.5 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | trans | -83.4 | 115.6 | 169.2 | -71.9 | -178 | 176.7 | -179 | 0 | 108.9 | ||||
| 801 | S | 32.9 | Very low | 34.8 | Very low | 117 Ų | 117 | 159.9 Ų | 159.9 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 135.8 | 153.9 | 38.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 802 | K | 30.8 | Very low | 34.7 | Very low | 191 Ų | 191 | 161.3 Ų | 161.3 | 83% | 0.83 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 130.7 | 165.5 | -78.7 | -174.9 | 172.8 | -174.6 | 0 | 108.1 | ||
| 803 | S | 32.5 | Very low | 34.6 | Very low | 108 Ų | 108 | 163.6 Ų | 163.6 | 76% | 0.755 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 133.8 | 155.3 | 40.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 804 | H | 30.9 | Very low | 34.6 | Very low | 166 Ų | 166 | 163.7 Ų | 163.7 | 77% | 0.769 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 118.1 | 157.8 | -108.4 | -74.7 | 0 | 0 | 0 | 107.4 | ||
| 805 | I | 34.6 | Very low | 34.7 | Very low | 135 Ų | 135 | 170.1 Ų | 170.1 | 69% | 0.692 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 134.2 | 164.1 | -63.6 | 168.5 | 0 | 0 | 0 | 105.8 | ||
| 806 | H | 33.3 | Very low | 34.7 | Very low | 182 Ų | 182 | 168.2 Ų | 168.2 | 84% | 0.843 | 88% | 0.877 | S | S | * | * | trans | -110.3 | 128.6 | 159.5 | -102.7 | -78.5 | 0 | 0 | 0 | 107.9 | ||||
| 807 | S | 35.8 | Very low | 34.5 | Very low | 99 Ų | 99 | 171.6 Ų | 171.6 | 69% | 0.692 | 88% | 0.882 | S | S | * | * | trans | -148.7 | 105.5 | 172.3 | 56.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 808 | E | 45.9 | Very low | 34.6 | Very low | 198 Ų | 198 | 168.8 Ų | 168.8 | 93% | 0.925 | 88% | 0.881 | S | S | * | * | trans | -169.7 | 137.2 | 167.6 | -113.6 | 166.9 | -151.5 | 0 | 0 | 107.1 | ||||
| 809 | G | 39.8 | Very low | 34.7 | Very low | 155 Ų | 155 | 162.9 Ų | 162.9 | 100% | 1.598 | 88% | 0.882 | S | S | * | * | trans | 106 | 0 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 809 of 809 residues in 2783.6 ms
(Link to these results)