| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 86.8 | Confident | 90.5 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | 0 | 147.6 | 0 | -72.2 | 168.5 | -88.6 | 0 | 0 | 108.6 | L303 E304 S350 F351 | M1-L303 HydrophobicContact CE-CD1 3.72Å; M1-L303 HydrophobicContact CE-CG 4.02Å; M1-L303 HydrophobicContact SD-CD1 4.11Å; M1-L303 HydrophobicContact SD-CD2 3.96Å; M1-L303 HydrophobicContact SD-CG 3.91Å; M1-E304 HydrophobicContact CE-CB 4.32Å; M1-E304 WeakPolarHBondContact CE-O 3.39Å; M1-E304 VanDerWaalsContact SD-O 3.34Å; M1-S350 CarbonylContact C-O 3.56Å; M1-S350 VanDerWaalsContact CA-O 3.27Å; M1-S350 WeakPolarHBondContact CA-O 3.33Å; M1-F351 HydrophobicContact CG-CD1 3.61Å; M1-F351 HydrophobicContact CG-CE1 4.2Å; M1-F351 HydrophobicContact CG-CG 4.38Å; M1-F351 HydrophobicContact SD-CD1 3.43Å; M1-F351 WeakPolarHBondContact SD-CD1 3.48Å; M1-F351 HydrophobicContact SD-CE1 3.62Å | |||
| 2 | T | 91.1 | Very high | 89.2 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.2 | 177.5 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | V349 S350 | T2-V349 WeakPolarHBondContact O-CA 3.22Å; T2-S350 PolarHBondContact N-O 2.69Å; T2-S350 PolarHBondContact O-N 3.43Å |
| 3 | L | 94.5 | Very high | 88.6 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125.4 | 172.4 | 177.5 | 69.8 | 0 | 0 | 0 | 107.6 | P306 K307 W308 T309 I312 Y347 V349 | L3-P306 HydrophobicContact CB-CB 4.22Å; L3-K307 VanDerWaalsContact CD2-O 3.3Å; L3-K307 WeakPolarHBondContact CD2-O 3.44Å; L3-W308 HydrophobicContact CD1-CZ3 4.33Å; L3-W308 HydrophobicContact CD2-CE3 4.15Å; L3-T309 HydrophobicContact CD2-CG2 4.14Å; L3-I312 HydrophobicContact CD1-CD1 4.23Å; L3-I312 HydrophobicContact CD2-CD1 3.98Å; L3-Y347 HydrophobicContact CD1-CD1 4.16Å; L3-Y347 HydrophobicContact CD1-CG 4.27Å; L3-Y347 HydrophobicContact CG-CD1 4.35Å; L3-V349 HydrophobicContact CD1-CG2 3.84Å |
| 4 | Q | 94.8 | Very high | 88.6 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120.7 | -175.8 | 176.1 | 177.2 | 3.2 | 0 | 0 | 109.3 | L6 S53 Y347 H348 | Q4-L6 HydrophobicContact CG-CD2 4.48Å; Q4-S53 PolarHBondContact NE2-OG 3.25Å; Q4-Y347 CarbonylContact O-C 3.53Å; Q4-Y347 WeakPolarHBondContact O-CA 3.43Å; Q4-H348 HydrophobicContact CB-CB 4.44Å; Q4-H348 PolarHBondContact N-O 2.91Å; Q4-H348 PolarHBondContact O-N 2.66Å |
| 5 | A | 94.8 | Very high | 88.7 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 144.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y347 | A5-Y347 HydrophobicContact CB-CD1 3.97Å; A5-Y347 HydrophobicContact CB-CE1 3.86Å |
| 6 | L | 94.4 | Very high | 89 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.3 | 179 | -58.7 | -178.1 | 0 | 0 | 0 | 111.6 | Q4 I50 S53 M55 L329 F346 H348 | Q4-L6 HydrophobicContact CG-CD2 4.48Å; L6-I50 HydrophobicContact CD1-CD1 3.82Å; L6-I50 HydrophobicContact CD1-CG1 4.15Å; L6-I50 HydrophobicContact CD1-CG2 4.43Å; L6-I50 HydrophobicContact CD2-CG2 3.78Å; L6-S53 CarbonylContact C-O 3.54Å; L6-S53 WeakPolarHBondContact CA-O 3.49Å; L6-M55 HydrophobicContact CB-CB 4.45Å; L6-M55 HydrophobicContact CD1-CB 4.32Å; L6-L329 HydrophobicContact CD1-CD1 3.54Å; L6-F346 HydrophobicContact CB-CB 4.04Å; L6-F346 PolarHBondContact N-O 2.75Å; L6-H348 HydrophobicContact CD1-CB 4.11Å; L6-H348 HydrophobicContact CD2-CB 4.06Å; L6-H348 HydrophobicContact CG-CB 4.16Å |
| 7 | S | 91.4 | Very high | 89.4 | Confident | 71 Ų | 71 | 48.9 Ų | 48.9 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115 | 171.2 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | S53 E54 M55 | S7-S53 PolarHBondContact N-O 3.28Å; S7-E54 CarbonylContact O-C 3.57Å; S7-E54 WeakPolarHBondContact O-CA 3.33Å; S7-M55 PolarHBondContact O-N 3.23Å |
| 8 | P | 89.9 | Confident | 89.7 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 139.4 | 169.4 | 30.2 | -34.1 | 0 | 0 | 0 | 109.7 | C11 D342 F346 | P8-C11 WeakPolarHBondContact CB-SG 3.49Å; P8-D342 HydrophobicContact CG-CB 4.41Å; P8-D342 VanDerWaalsContact CG-CG 3.47Å; P8-D342 WeakPolarHBondContact CG-OD1 3.16Å; P8-D342 WeakPolarHBondContact CG-OD2 3.37Å; P8-F346 HydrophobicContact CB-CD2 4.09Å; P8-F346 HydrophobicContact CB-CE2 4.1Å; P8-F346 HydrophobicContact CG-CD2 4.17Å; P8-F346 HydrophobicContact CG-CE2 4.3Å |
| 9 | V | 89.9 | Confident | 90.1 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -119.8 | -33.5 | -179.9 | -173.4 | 0 | 0 | 0 | 0 | 113.7 | E54 M55 K56 | V9-E54 HydrophobicContact CG2-CB 3.95Å; V9-E54 HydrophobicContact CG2-CG 4.12Å; V9-M55 PolarHBondContact N-O 3.21Å; V9-M55 VanDerWaalsContact N-O 3.07Å; V9-K56 HydrophobicContact CB-CD 4.41Å; V9-K56 HydrophobicContact CB-CG 3.87Å; V9-K56 VanDerWaalsContact CG1-CE 3.41Å; V9-K56 HydrophobicContact CG1-CG 4.46Å; V9-K56 HydrophobicContact CG2-CG 4.3Å |
| 10 | N | 87.7 | Confident | 90.4 | Very high | 87 Ų | 87 | 44 Ų | 44 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -143.3 | 21.8 | 177 | 73.8 | -25.4 | 0 | 0 | 0 | 113.2 | K56 L57 | N10-K56 WeakPolarHBondContact OD1-CA 3.34Å; N10-L57 PolarHBondContact ND2-O 3.05Å; N10-L57 PolarHBondContact OD1-N 2.64Å |
| 11 | C | 80.7 | Confident | 90.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | trans | -117.3 | 0.9 | -172.9 | 59 | 0 | 0 | 0 | 0 | 114.6 | P8 G13 L14 L15 L57 | P8-C11 WeakPolarHBondContact CB-SG 3.49Å; C11-G13 PolarHBondContact O-N 3.41Å; C11-L14 PolarHBondContact O-N 3.01Å; C11-L15 HydrophobicContact CB-CD1 3.96Å; C11-L57 HydrophobicContact CB-CB 4.4Å; C11-L57 HydrophobicContact CB-CD1 3.42Å; C11-L57 VanDerWaalsContact CB-CD1 3.42Å; C11-L57 HydrophobicContact CB-CG 3.61Å | ||
| 12 | T | 74.4 | Confident | 91.2 | Very high | 65 Ų | 65 | 39.2 Ų | 39.2 | 40% | 0.399 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 128.1 | 176.2 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | L14 P341 D342 | T12-L14 PolarHBondContact O-N 3.32Å; T12-P341 VanDerWaalsContact CG2-O 3.25Å; T12-P341 WeakPolarHBondContact CG2-O 3.39Å; T12-D342 WeakPolarHBondContact CB-OD1 3.13Å; T12-D342 WeakPolarHBondContact CG2-OD1 3.3Å; T12-D342 PolarHBondContact OG1-OD1 2.94Å |
| 13 | G | 80.9 | Confident | 91.2 | Very high | 36 Ų | 36 | 37 Ų | 37 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -5.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | C11 K34 | C11-G13 PolarHBondContact O-N 3.41Å; G13-K34 WeakPolarHBondContact O-CB 3.47Å; G13-K34 WeakPolarHBondContact O-CD 3.33Å |
| 14 | L | 89.1 | Confident | 91 | Very high | 26 Ų | 26 | 35 Ų | 35 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -36.6 | 176.4 | -71.7 | 175.2 | 0 | 0 | 0 | 113.4 | C11 T12 Q33 K34 F46 L57 | C11-L14 PolarHBondContact O-N 3.01Å; T12-L14 PolarHBondContact O-N 3.32Å; L14-Q33 HydrophobicContact CD2-CB 4.46Å; L14-Q33 CarbonylContact O-C 3.53Å; L14-Q33 WeakPolarHBondContact O-CA 3.37Å; L14-K34 PolarHBondContact O-N 2.87Å; L14-F46 HydrophobicContact CD1-CE1 3.99Å; L14-F46 HydrophobicContact CD1-CE2 4.46Å; L14-F46 HydrophobicContact CD1-CZ 3.86Å; L14-F46 HydrophobicContact CD2-CZ 4.33Å; L14-L57 HydrophobicContact CB-CD1 4.34Å; L14-L57 HydrophobicContact CD1-CD1 3.96Å |
| 15 | L | 90.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | -78.5 | 146.5 | 176.9 | -77.4 | 84.2 | 0 | 0 | 0 | 111.7 | C11 L30 M55 L57 L329 F346 | C11-L15 HydrophobicContact CB-CD1 3.96Å; L15-L30 HydrophobicContact CD1-CD2 3.65Å; L15-L30 HydrophobicContact CD2-CD1 4.4Å; L15-L30 HydrophobicContact CD2-CD2 4.48Å; L15-L30 HydrophobicContact CG-CD1 4.23Å; L15-L30 HydrophobicContact CG-CD2 3.76Å; L15-M55 HydrophobicContact CD1-CE 4.03Å; L15-M55 HydrophobicContact CD2-CE 3.91Å; L15-L57 HydrophobicContact CD1-CD1 4.04Å; L15-L329 HydrophobicContact CD2-CD2 4.34Å; L15-F346 HydrophobicContact CB-CE1 4.12Å; L15-F346 HydrophobicContact CB-CZ 4.04Å; L15-F346 HydrophobicContact CD1-CZ 4.49Å; L15-F346 HydrophobicContact CD2-CD1 4.33Å; L15-F346 HydrophobicContact CD2-CE1 3.59Å; L15-F346 HydrophobicContact CD2-CZ 4.12Å; L15-F346 HydrophobicContact CG-CE1 4.33Å; L15-F346 HydrophobicContact CG-CZ 4.43Å | ||
| 16 | Q | 93.1 | Very high | 90 | Very high | 22 Ų | 22 | 34.6 Ų | 34.6 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | trans | -153.8 | 156.3 | -179.1 | 61.9 | 179.2 | -7.7 | 0 | 0 | 111 | G18 C19 G32 Q33 K34 R73 F319 | Q16-G18 PolarHBondContact O-N 3.07Å; Q16-C19 WeakPolarHBondContact O-CB 3.34Å; Q16-C19 PolarHBondContact O-N 2.87Å; Q16-C19 PolarHBondContact O-SG 3.33Å; Q16-G32 PolarHBondContact NE2-O 3.15Å; Q16-Q33 VanDerWaalsContact NE2-C 3.25Å; Q16-Q33 PolarHBondContact NE2-O 3.15Å; Q16-K34 HydrophobicContact CB-CB 4.28Å; Q16-K34 VanDerWaalsContact CD-CA 3.49Å; Q16-K34 HydrophobicContact CG-CB 4.39Å; Q16-R73 HydrophobicContact CG-CG 4.44Å; Q16-R73 VanDerWaalsContact NE2-CG 3.27Å; Q16-F319 VanDerWaalsContact O-CE2 3.32Å; Q16-F319 WeakPolarHBondContact O-CE2 3.39Å | ||
| 17 | P | 95 | Very high | 89.8 | Confident | 80 Ų | 80 | 35.5 Ų | 35.5 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 131.3 | 169.1 | -26.4 | 33.8 | 0 | 0 | 0 | 112.3 | F319 | P17-F319 HydrophobicContact CB-CD1 4.16Å; P17-F319 HydrophobicContact CB-CG 4.25Å; P17-F319 HydrophobicContact CG-CD1 3.72Å; P17-F319 HydrophobicContact CG-CE1 3.79Å; P17-F319 HydrophobicContact CG-CG 4.28Å; P17-F319 HydrophobicContact CG-CZ 4.39Å |
| 18 | G | 95.1 | Very high | 90 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 19% | 0.186 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 3.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | Q16 R73 C74 | Q16-G18 PolarHBondContact O-N 3.07Å; G18-R73 CarbonylContact O-C 3.43Å; G18-R73 WeakPolarHBondContact O-CA 3.2Å; G18-C74 WeakPolarHBondContact CA-SG 3.41Å; G18-C74 PolarHBondContact O-N 3.11Å |
| 19 | C | 96.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 11% | 0.108 | 21% | 0.209 | C | C | . | . | trans | -62.5 | 159.4 | 164.5 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | Q16 L30 F31 | Q16-C19 WeakPolarHBondContact O-CB 3.34Å; Q16-C19 PolarHBondContact O-N 2.87Å; Q16-C19 PolarHBondContact O-SG 3.33Å; C19-L30 HydrophobicContact CB-CD1 3.89Å; C19-F31 WeakPolarHBondContact CA-O 3.31Å; C19-F31 WeakPolarHBondContact CB-O 3.33Å | ||
| 20 | S | 97.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.8 | 179.8 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | F31 | S20-F31 PolarHBondContact N-O 2.7Å; S20-F31 PolarHBondContact O-N 2.83Å |
| 21 | L | 97.2 | Very high | 91.2 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.1 | 167.4 | -65.3 | -179 | 0 | 0 | 0 | 109.9 | I28 L29 L30 V48 S322 L329 | L21-I28 HydrophobicContact CB-CG2 4.47Å; L21-I28 HydrophobicContact CD2-CG2 4.34Å; L21-L29 CarbonylContact C-O 3.55Å; L21-L29 VanDerWaalsContact CA-O 3.31Å; L21-L29 WeakPolarHBondContact CA-O 3.25Å; L21-L30 HydrophobicContact CD2-CB 4.12Å; L21-L30 HydrophobicContact CD2-CD1 3.9Å; L21-V48 HydrophobicContact CD2-CG2 4.08Å; L21-S322 WeakPolarHBondContact CB-O 3.48Å; L21-L329 HydrophobicContact CD1-CB 3.72Å; L21-L329 HydrophobicContact CD1-CD2 4.06Å; L21-L329 HydrophobicContact CD1-CG 4.47Å |
| 22 | L | 95.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.4 | -178.2 | -39.2 | 176.7 | 0 | 0 | 0 | 108.6 | I28 L29 F31 V77 Y90 I92 L109 | L22-I28 CarbonylContact O-C 3.5Å; L22-I28 WeakPolarHBondContact O-CA 3.27Å; L22-L29 HydrophobicContact CB-CB 4.19Å; L22-L29 PolarHBondContact N-O 2.74Å; L22-L29 PolarHBondContact O-N 2.86Å; L22-F31 HydrophobicContact CD1-CB 4.48Å; L22-V77 HydrophobicContact CD2-CG1 3.4Å; L22-V77 VanDerWaalsContact CD2-CG1 3.4Å; L22-V77 HydrophobicContact CD2-CG2 4.48Å; L22-Y90 HydrophobicContact CB-CD2 4.09Å; L22-Y90 HydrophobicContact CB-CE1 4.31Å; L22-Y90 HydrophobicContact CB-CE2 3.77Å; L22-Y90 HydrophobicContact CB-CG 4.49Å; L22-Y90 HydrophobicContact CD2-CD1 3.94Å; L22-Y90 HydrophobicContact CD2-CE1 3.97Å; L22-Y90 HydrophobicContact CD2-CG 4.31Å; L22-I92 HydrophobicContact CD1-CD1 4.33Å; L22-L109 HydrophobicContact CD1-CD2 3.61Å |
| 23 | Q | 92 | Very high | 92.9 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 11% | 0.107 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.1 | 171.7 | -179.6 | -178.6 | 28.4 | 0 | 0 | 107.5 | I28 Y90 D325 | Q23-I28 HydrophobicContact CB-CD1 3.76Å; Q23-I28 HydrophobicContact CG-CD1 3.79Å; Q23-Y90 PolarHBondContact N-OH 2.95Å; Q23-Y90 WeakPolarHBondContact O-CE2 3.39Å; Q23-Y90 PolarHBondContact O-OH 3.44Å; Q23-D325 PolarHBondContact NE2-OD1 3.03Å |
| 24 | L | 90.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118 | -174.6 | -178.2 | 56.8 | 0 | 0 | 0 | 110.3 | G26 E27 L29 E88 Y90 L122 | L24-G26 PolarHBondContact O-N 3Å; L24-E27 PolarHBondContact N-O 2.85Å; L24-E27 PolarHBondContact O-N 2.86Å; L24-L29 HydrophobicContact CB-CD1 3.85Å; L24-L29 HydrophobicContact CD2-CD1 3.96Å; L24-L29 HydrophobicContact CG-CD1 4.44Å; L24-E88 WeakPolarHBondContact CA-OE2 3.45Å; L24-E88 HydrophobicContact CD1-CB 3.99Å; L24-E88 HydrophobicContact CD1-CG 3.76Å; L24-E88 VanDerWaalsContact CD1-O 3.25Å; L24-E88 WeakPolarHBondContact CD1-O 3.46Å; L24-Y90 HydrophobicContact CB-CE2 4.44Å; L24-L122 HydrophobicContact CD2-CD2 3.61Å |
| 25 | D | 85.3 | Confident | 93.6 | Very high | 59 Ų | 59 | 25.8 Ų | 25.8 | 32% | 0.316 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 41.4 | -179 | -172.5 | 50.6 | 0 | 0 | 0 | 113 | E27 E88 M111 R114 | D25-E27 PolarHBondContact O-N 2.99Å; D25-E27 VanDerWaalsContact O-N 3.15Å; D25-E88 PolarHBondContact N-OE2 3.21Å; D25-M111 HydrophobicContact CB-CE 3.85Å; D25-M111 VanDerWaalsContact CG-CE 3.47Å; D25-R114 PolarHBondContact O-NH2 2.79Å; D25-R114 IonicContact OD2-CZ 3.14Å; D25-R114 IonicContact OD2-NE 2.7Å; D25-R114 PolarHBondContact OD2-NE 2.85Å; D25-R114 IonicContact OD2-NH2 2.74Å; D25-R114 PolarHBondContact OD2-NH2 2.99Å |
| 26 | G | 83.8 | Confident | 93.9 | Very high | 68 Ų | 68 | 31.4 Ų | 31.4 | 70% | 0.701 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 3.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | L24 | L24-G26 PolarHBondContact O-N 3Š|
| 27 | E | 90.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 32.3 Ų | 32.3 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.1 | 164 | -61.3 | -144.2 | -134.9 | 0 | 0 | 110.5 | L24 D25 R49 R114 | L24-E27 PolarHBondContact N-O 2.85Å; L24-E27 PolarHBondContact O-N 2.86Å; D25-E27 PolarHBondContact O-N 2.99Å; D25-E27 VanDerWaalsContact O-N 3.15Å; E27-R49 VanDerWaalsContact CD-NH2 3.25Å; E27-R49 IonicContact OE1-CZ 3.38Å; E27-R49 IonicContact OE1-NH2 2.67Å; E27-R49 PolarHBondContact OE1-NH2 3.47Å; E27-R49 IonicContact OE2-CZ 3.28Å; E27-R49 VanDerWaalsContact OE2-CZ 3.31Å; E27-R49 IonicContact OE2-NE 3.44Å; E27-R49 PolarHBondContact OE2-NE 3.43Å; E27-R49 IonicContact OE2-NH2 4Å; E27-R49 PolarHBondContact OE2-NH2 3.16Å; E27-R114 IonicContact OE1-NH1 3.15Å; E27-R114 PolarHBondContact OE1-NH1 2.81Å; E27-R114 VanDerWaalsContact OE1-NH1 3.15Å |
| 28 | I | 94.7 | Very high | 93.6 | Very high | 26 Ų | 26 | 35 Ų | 35 | 13% | 0.133 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.3 | 174.2 | -56.3 | -54.9 | 0 | 0 | 0 | 108.3 | L21 L22 Q23 G47 V48 A323 | L21-I28 HydrophobicContact CB-CG2 4.47Å; L21-I28 HydrophobicContact CD2-CG2 4.34Å; L22-I28 CarbonylContact O-C 3.5Å; L22-I28 WeakPolarHBondContact O-CA 3.27Å; Q23-I28 HydrophobicContact CB-CD1 3.76Å; Q23-I28 HydrophobicContact CG-CD1 3.79Å; I28-G47 CarbonylContact O-C 3.6Å; I28-G47 WeakPolarHBondContact O-CA 3.25Å; I28-V48 HydrophobicContact CB-CB 4.22Å; I28-V48 HydrophobicContact CG2-CB 4.13Å; I28-V48 HydrophobicContact CG2-CG2 4.29Å; I28-V48 PolarHBondContact O-N 3.14Å; I28-A323 VanDerWaalsContact CD1-C 3.47Å; I28-A323 VanDerWaalsContact CD1-O 3.25Å; I28-A323 WeakPolarHBondContact CD1-O 3.37Å; I28-A323 WeakPolarHBondContact CG1-O 3.25Å |
| 29 | L | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.7 | -176.6 | -53.8 | 176.8 | 0 | 0 | 0 | 110.4 | L21 L22 L24 V45 F46 I60 L120 L122 | L21-L29 CarbonylContact C-O 3.55Å; L21-L29 VanDerWaalsContact CA-O 3.31Å; L21-L29 WeakPolarHBondContact CA-O 3.25Å; L22-L29 HydrophobicContact CB-CB 4.19Å; L22-L29 PolarHBondContact N-O 2.74Å; L22-L29 PolarHBondContact O-N 2.86Å; L24-L29 HydrophobicContact CB-CD1 3.85Å; L24-L29 HydrophobicContact CD2-CD1 3.96Å; L24-L29 HydrophobicContact CG-CD1 4.44Å; L29-V45 HydrophobicContact CB-CG1 4.39Å; L29-F46 CarbonylContact C-O 3.55Å; L29-F46 WeakPolarHBondContact CA-O 3.36Å; L29-I60 HydrophobicContact CD2-CD1 4.44Å; L29-I60 HydrophobicContact CD2-CG1 4.21Å; L29-L120 HydrophobicContact CD2-CD2 4.17Å; L29-L122 HydrophobicContact CD1-CD1 3.76Å; L29-L122 HydrophobicContact CD1-CD2 4.32Å |
| 30 | L | 97.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 127.2 | 165.1 | 177.2 | 70.5 | 0 | 0 | 0 | 109.6 | L15 C19 L21 V45 F46 V48 L57 | L15-L30 HydrophobicContact CD1-CD2 3.65Å; L15-L30 HydrophobicContact CD2-CD1 4.4Å; L15-L30 HydrophobicContact CD2-CD2 4.48Å; L15-L30 HydrophobicContact CG-CD1 4.23Å; L15-L30 HydrophobicContact CG-CD2 3.76Å; C19-L30 HydrophobicContact CB-CD1 3.89Å; L21-L30 HydrophobicContact CD2-CB 4.12Å; L21-L30 HydrophobicContact CD2-CD1 3.9Å; L30-V45 WeakPolarHBondContact O-CA 3.44Å; L30-F46 HydrophobicContact CB-CB 4.43Å; L30-F46 PolarHBondContact N-O 3.35Å; L30-F46 PolarHBondContact O-N 3Å; L30-V48 HydrophobicContact CB-CG2 3.74Å; L30-L57 HydrophobicContact CB-CD2 4.24Å; L30-L57 HydrophobicContact CD2-CD1 3.69Å; L30-L57 HydrophobicContact CD2-CD2 3.98Å |
| 31 | F | 98.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 155.4 | 170.5 | 169.8 | -113.7 | 0 | 0 | 0 | 110.3 | C19 S20 L22 V45 L69 P70 L72 P75 I92 | C19-F31 WeakPolarHBondContact CA-O 3.31Å; C19-F31 WeakPolarHBondContact CB-O 3.33Å; S20-F31 PolarHBondContact N-O 2.7Å; S20-F31 PolarHBondContact O-N 2.83Å; L22-F31 HydrophobicContact CD1-CB 4.48Å; F31-V45 HydrophobicContact CD2-CG2 4Å; F31-L69 HydrophobicContact CE1-CD1 4.14Å; F31-L69 HydrophobicContact CE2-CD1 3.69Å; F31-L69 HydrophobicContact CE2-CD2 4.05Å; F31-L69 HydrophobicContact CE2-CG 3.69Å; F31-L69 HydrophobicContact CZ-CD1 3.46Å; F31-L69 VanDerWaalsContact CZ-CD1 3.46Å; F31-L69 HydrophobicContact CZ-CG 3.87Å; F31-P70 WeakPolarHBondContact CE2-O 3.43Å; F31-P70 VanDerWaalsContact CZ-O 3.27Å; F31-P70 WeakPolarHBondContact CZ-O 3.27Å; F31-L72 HydrophobicContact CE1-CB 3.92Å; F31-L72 HydrophobicContact CE1-CD1 4.37Å; F31-L72 HydrophobicContact CZ-CB 3.84Å; F31-L72 HydrophobicContact CZ-CD1 4.02Å; F31-L72 HydrophobicContact CZ-CG 4.1Å; F31-P75 HydrophobicContact CE1-CG 4.33Å; F31-I92 HydrophobicContact CD1-CD1 4.13Å; F31-I92 HydrophobicContact CE1-CD1 4.22Å; F31-I92 HydrophobicContact CE1-CG2 4Å |
| 32 | G | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 81.6 | 42.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q16 L72 | Q16-G32 PolarHBondContact NE2-O 3.15Å; G32-L72 WeakPolarHBondContact CA-O 3.11Å |
| 33 | Q | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | trans | -56.6 | 156.7 | 174.3 | 60.9 | 145.6 | 93.1 | 0 | 0 | 113.5 | L14 Q16 W36 F46 P71 | L14-Q33 HydrophobicContact CD2-CB 4.46Å; L14-Q33 CarbonylContact O-C 3.53Å; L14-Q33 WeakPolarHBondContact O-CA 3.37Å; Q16-Q33 VanDerWaalsContact NE2-C 3.25Å; Q16-Q33 PolarHBondContact NE2-O 3.15Å; Q33-W36 PolarHBondContact NE2-O 2.82Å; Q33-F46 HydrophobicContact CB-CE2 4.14Å; Q33-F46 HydrophobicContact CG-CE2 4.34Å; Q33-P71 HydrophobicContact CG-CB 4.03Å; Q33-P71 HydrophobicContact CG-CG 3.89Å; Q33-P71 WeakPolarHBondContact O-CB 3.09Å | ||
| 34 | K | 93.1 | Very high | 92.4 | Very high | 113 Ų | 113 | 50 Ų | 50 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -64.8 | 133.3 | 173.6 | -165.4 | 175.9 | -177.6 | 178.3 | 0 | 111.3 | G13 L14 Q16 | G13-K34 WeakPolarHBondContact O-CB 3.47Å; G13-K34 WeakPolarHBondContact O-CD 3.33Å; L14-K34 PolarHBondContact O-N 2.87Å; Q16-K34 HydrophobicContact CB-CB 4.28Å; Q16-K34 VanDerWaalsContact CD-CA 3.49Å; Q16-K34 HydrophobicContact CG-CB 4.39Å |
| 35 | G | 92 | Very high | 92.7 | Very high | 35 Ų | 35 | 50 Ų | 50 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 68.1 | -172.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P98 | G35-P98 WeakPolarHBondContact O-CG 3.29Š|
| 36 | W | 95.4 | Very high | 93.3 | Very high | 124 Ų | 124 | 47.8 Ų | 47.8 | 47% | 0.47 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -74.5 | 157.5 | 172.9 | -72.2 | 99.7 | 0 | 0 | 0 | 111.6 | Q33 P70 P98 N99 | Q33-W36 PolarHBondContact NE2-O 2.82Å; W36-P70 HydrophobicContact CH2-CB 4.04Å; W36-P70 HydrophobicContact CZ3-CB 3.77Å; W36-P98 HydrophobicContact CD2-CB 4.21Å; W36-P98 HydrophobicContact CD2-CG 3.82Å; W36-P98 HydrophobicContact CE3-CG 4.25Å; W36-P98 HydrophobicContact CG-CB 4.14Å; W36-P98 HydrophobicContact CG-CG 4.06Å; W36-P98 HydrophobicContact CZ2-CG 4.32Å; W36-N99 PolarHBondContact NE1-OD1 3.13Å |
| 37 | P | 92.4 | Very high | 93.9 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -56.3 | 145.9 | 175.5 | -23.1 | 35.2 | 0 | 0 | 0 | 112 | C41 P42 P71 | P37-C41 WeakPolarHBondContact CB-O 3.39Å; P37-P42 VanDerWaalsContact CB-O 3.26Å; P37-P42 WeakPolarHBondContact CB-O 3.44Å; P37-P71 HydrophobicContact CG-CG 3.86Å |
| 38 | K | 89.5 | Confident | 94.1 | Very high | 136 Ų | 136 | 43.9 Ų | 43.9 | 59% | 0.591 | 22% | 0.218 | S | C | * | . | B | Isolated β-bridge | trans | -103.8 | 163.3 | 178.4 | -65.2 | -175.7 | 178.9 | -178.1 | 0 | 110.2 | S40 C41 | K38-S40 PolarHBondContact O-N 2.94Å; K38-S40 VanDerWaalsContact O-N 3.11Å; K38-C41 CarbonylContact O-C 3.5Å; K38-C41 PolarHBondContact O-N 3Å |
| 39 | R | 87.3 | Confident | 94 | Very high | 238 Ų | 238 | 47.4 Ų | 47.4 | 90% | 0.898 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -33.5 | 175.2 | -75.6 | -163.1 | -80.1 | -178.2 | -3.5 | 113.5 | C41 | R39-C41 PolarHBondContact O-N 2.77Š|
| 40 | S | 88 | Confident | 93.8 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 69% | 0.685 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.9 | 175.5 | 53.8 | 0 | 0 | 0 | 0 | 115.5 | K38 | K38-S40 PolarHBondContact O-N 2.94Å; K38-S40 VanDerWaalsContact O-N 3.11Å |
| 41 | C | 93.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -160.8 | 81.2 | 171.4 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | P37 K38 R39 T43 G44 V45 F46 A59 | P37-C41 WeakPolarHBondContact CB-O 3.39Å; K38-C41 CarbonylContact O-C 3.5Å; K38-C41 PolarHBondContact O-N 3Å; R39-C41 PolarHBondContact O-N 2.77Å; C41-T43 PolarHBondContact O-N 3.14Å; C41-G44 PolarHBondContact O-N 3.23Å; C41-G44 VanDerWaalsContact O-N 3.13Å; C41-V45 PolarHBondContact SG-O 3.48Å; C41-F46 HydrophobicContact CB-CD1 4.29Å; C41-F46 HydrophobicContact CB-CE1 3.4Å; C41-F46 HydrophobicContact CB-CE2 4.31Å; C41-F46 HydrophobicContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact SG-CE1 3.54Å; C41-F46 VanDerWaalsContact SG-CZ 3.55Å; C41-A59 HydrophobicContact CB-CB 3.82Å |
| 42 | P | 92 | Very high | 93.2 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.4 | -171.5 | 27.4 | -35 | 0 | 0 | 0 | 113.3 | P37 Y68 | P37-P42 VanDerWaalsContact CB-O 3.26Å; P37-P42 WeakPolarHBondContact CB-O 3.44Å; P42-Y68 HydrophobicContact CB-CE1 4.23Å; P42-Y68 WeakPolarHBondContact O-CD1 3.34Å; P42-Y68 WeakPolarHBondContact O-CE1 3.48Å |
| 43 | T | 94.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -20.6 | 175.1 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | C41 V45 I60 F62 Y68 | C41-T43 PolarHBondContact O-N 3.14Å; T43-V45 PolarHBondContact O-N 2.84Å; T43-V45 PolarHBondContact OG1-N 3.21Å; T43-I60 VanDerWaalsContact CG2-O 3.26Å; T43-I60 WeakPolarHBondContact CG2-O 3.26Å; T43-I60 PolarHBondContact OG1-O 3.41Å; T43-F62 HydrophobicContact CG2-CB 3.99Å; T43-F62 HydrophobicContact CG2-CD1 3.54Å; T43-F62 HydrophobicContact CG2-CD2 4.08Å; T43-F62 HydrophobicContact CG2-CE1 4Å; T43-F62 HydrophobicContact CG2-CE2 4.49Å; T43-F62 HydrophobicContact CG2-CG 3.58Å; T43-F62 HydrophobicContact CG2-CZ 4.46Å; T43-Y68 HydrophobicContact CG2-CE1 3.93Å |
| 44 | G | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | trans | 64.6 | 13.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C41 | C41-G44 PolarHBondContact O-N 3.23Å; C41-G44 VanDerWaalsContact O-N 3.13Å | ||
| 45 | V | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -113.5 | 132.4 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | L29 L30 F31 C41 T43 I60 F62 L122 | L29-V45 HydrophobicContact CB-CG1 4.39Å; L30-V45 WeakPolarHBondContact O-CA 3.44Å; F31-V45 HydrophobicContact CD2-CG2 4Å; C41-V45 PolarHBondContact SG-O 3.48Å; T43-V45 PolarHBondContact O-N 2.84Å; T43-V45 PolarHBondContact OG1-N 3.21Å; V45-I60 HydrophobicContact CB-CB 4.49Å; V45-I60 HydrophobicContact CG1-CB 4.26Å; V45-I60 HydrophobicContact CG1-CG1 4.41Å; V45-I60 WeakPolarHBondContact O-CB 3.44Å; V45-I60 PolarHBondContact O-N 3Å; V45-F62 HydrophobicContact CB-CE1 4.34Å; V45-F62 HydrophobicContact CG2-CE1 4.01Å; V45-F62 HydrophobicContact CG2-CZ 3.98Å; V45-L122 HydrophobicContact CG1-CD1 3.93Å | ||
| 46 | F | 96.9 | Very high | 93 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.6 | -173.9 | -58.2 | -99.4 | 0 | 0 | 0 | 112.1 | L14 L29 L30 Q33 C41 V48 L57 R58 | L14-F46 HydrophobicContact CD1-CE1 3.99Å; L14-F46 HydrophobicContact CD1-CE2 4.46Å; L14-F46 HydrophobicContact CD1-CZ 3.86Å; L14-F46 HydrophobicContact CD2-CZ 4.33Å; L29-F46 CarbonylContact C-O 3.55Å; L29-F46 WeakPolarHBondContact CA-O 3.36Å; L30-F46 HydrophobicContact CB-CB 4.43Å; L30-F46 PolarHBondContact N-O 3.35Å; L30-F46 PolarHBondContact O-N 3Å; Q33-F46 HydrophobicContact CB-CE2 4.14Å; Q33-F46 HydrophobicContact CG-CE2 4.34Å; C41-F46 HydrophobicContact CB-CD1 4.29Å; C41-F46 HydrophobicContact CB-CE1 3.4Å; C41-F46 HydrophobicContact CB-CE2 4.31Å; C41-F46 HydrophobicContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact SG-CE1 3.54Å; C41-F46 VanDerWaalsContact SG-CZ 3.55Å; F46-V48 PolarHBondContact O-N 2.64Å; F46-L57 HydrophobicContact CB-CB 4.01Å; F46-L57 HydrophobicContact CB-CD1 4.26Å; F46-L57 HydrophobicContact CB-CD2 3.86Å; F46-L57 HydrophobicContact CB-CG 4.25Å; F46-L57 HydrophobicContact CD1-CB 3.99Å; F46-L57 HydrophobicContact CD1-CD1 4.37Å; F46-L57 HydrophobicContact CG-CB 4.26Å; F46-L57 HydrophobicContact CG-CD1 4.19Å; F46-R58 CarbonylContact C-O 3.57Å; F46-R58 VanDerWaalsContact CA-O 3.24Å; F46-R58 WeakPolarHBondContact CA-O 3.39Å |
| 47 | G | 95.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I28 L57 R58 I60 | I28-G47 CarbonylContact O-C 3.6Å; I28-G47 WeakPolarHBondContact O-CA 3.25Å; G47-L57 WeakPolarHBondContact O-CA 3.42Å; G47-R58 PolarHBondContact N-O 3.3Å; G47-R58 PolarHBondContact O-N 3.49Å; G47-I60 VanDerWaalsContact N-CG1 3.34Å |
| 48 | V | 95.4 | Very high | 93 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 9% | 0.085 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.7 | 175 | -177.9 | 0 | 0 | 0 | 0 | 109 | L21 I28 L30 F46 I50 M55 L57 | L21-V48 HydrophobicContact CD2-CG2 4.08Å; I28-V48 HydrophobicContact CB-CB 4.22Å; I28-V48 HydrophobicContact CG2-CB 4.13Å; I28-V48 HydrophobicContact CG2-CG2 4.29Å; I28-V48 PolarHBondContact O-N 3.14Å; L30-V48 HydrophobicContact CB-CG2 3.74Å; F46-V48 PolarHBondContact O-N 2.64Å; V48-I50 HydrophobicContact CG1-CG1 4.32Å; V48-M55 HydrophobicContact CG1-CE 3.96Å; V48-M55 HydrophobicContact CG1-CG 4.49Å; V48-L57 HydrophobicContact CB-CD2 4.37Å; V48-L57 HydrophobicContact CG2-CD2 3.74Å |
| 49 | R | 93.3 | Very high | 93.2 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.9 | 176.8 | -68.6 | -176.9 | 169.4 | -166.3 | -5.4 | 109.9 | E27 K56 | E27-R49 VanDerWaalsContact CD-NH2 3.25Å; E27-R49 IonicContact OE1-CZ 3.38Å; E27-R49 IonicContact OE1-NH2 2.67Å; E27-R49 PolarHBondContact OE1-NH2 3.47Å; E27-R49 IonicContact OE2-CZ 3.28Å; E27-R49 VanDerWaalsContact OE2-CZ 3.31Å; E27-R49 IonicContact OE2-NE 3.44Å; E27-R49 PolarHBondContact OE2-NE 3.43Å; E27-R49 IonicContact OE2-NH2 4Å; E27-R49 PolarHBondContact OE2-NH2 3.16Å; R49-K56 PolarHBondContact N-O 3.13Å; R49-K56 PolarHBondContact O-N 3.29Å |
| 50 | I | 92.4 | Very high | 93.6 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123.8 | 176.3 | -60.4 | 169.8 | 0 | 0 | 0 | 108.2 | L6 V48 E54 | L6-I50 HydrophobicContact CD1-CD1 3.82Å; L6-I50 HydrophobicContact CD1-CG1 4.15Å; L6-I50 HydrophobicContact CD1-CG2 4.43Å; L6-I50 HydrophobicContact CD2-CG2 3.78Å; V48-I50 HydrophobicContact CG1-CG1 4.32Å; I50-E54 VanDerWaalsContact CA-O 3.28Å; I50-E54 WeakPolarHBondContact CA-O 3.49Å |
| 51 | K | 91.1 | Very high | 93.8 | Very high | 147 Ų | 147 | 45.8 Ų | 45.8 | 64% | 0.639 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -149 | 132.8 | 175.9 | -71.4 | -165.9 | 174.5 | -167.8 | 0 | 110.2 | S53 E54 | K51-S53 PolarHBondContact O-N 2.94Å; K51-E54 PolarHBondContact N-O 2.86Å; K51-E54 WeakPolarHBondContact O-CA 3.28Å; K51-E54 WeakPolarHBondContact O-CB 3.45Å; K51-E54 PolarHBondContact O-N 2.84Å |
| 52 | H | 89.8 | Confident | 94 | Very high | 178 Ų | 178 | 46.6 Ų | 46.6 | 82% | 0.824 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 42.1 | 177.7 | -43.7 | 128.8 | 0 | 0 | 0 | 113.5 | E54 | H52-E54 PolarHBondContact O-N 2.97Å; H52-E54 VanDerWaalsContact O-N 3.14Å |
| 53 | S | 91.1 | Very high | 94 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -6.5 | -170.8 | -49.9 | 0 | 0 | 0 | 0 | 116.6 | Q4 L6 S7 K51 | Q4-S53 PolarHBondContact NE2-OG 3.25Å; L6-S53 CarbonylContact C-O 3.54Å; L6-S53 WeakPolarHBondContact CA-O 3.49Å; S7-S53 PolarHBondContact N-O 3.28Å; K51-S53 PolarHBondContact O-N 2.94Å |
| 54 | E | 93.9 | Very high | 93.9 | Very high | 70 Ų | 70 | 52 Ų | 52 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 139.2 | 171 | -57.9 | -178.6 | 126.1 | 0 | 0 | 111.3 | S7 V9 I50 K51 H52 K56 | S7-E54 CarbonylContact O-C 3.57Å; S7-E54 WeakPolarHBondContact O-CA 3.33Å; V9-E54 HydrophobicContact CG2-CB 3.95Å; V9-E54 HydrophobicContact CG2-CG 4.12Å; I50-E54 VanDerWaalsContact CA-O 3.28Å; I50-E54 WeakPolarHBondContact CA-O 3.49Å; K51-E54 PolarHBondContact N-O 2.86Å; K51-E54 WeakPolarHBondContact O-CA 3.28Å; K51-E54 WeakPolarHBondContact O-CB 3.45Å; K51-E54 PolarHBondContact O-N 2.84Å; H52-E54 PolarHBondContact O-N 2.97Å; H52-E54 VanDerWaalsContact O-N 3.14Å; E54-K56 IonicContact OE1-NZ 2.94Å; E54-K56 PolarHBondContact OE1-NZ 2.89Å; E54-K56 WeakPolarHBondContact OE2-CE 3.48Å; E54-K56 IonicContact OE2-NZ 3.36Å; E54-K56 PolarHBondContact OE2-NZ 2.93Å |
| 55 | M | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.6 | 167.1 | -177.6 | -178.2 | 170.9 | 0 | 0 | 110.2 | L6 S7 V9 L15 V48 L57 L329 F346 | L6-M55 HydrophobicContact CB-CB 4.45Å; L6-M55 HydrophobicContact CD1-CB 4.32Å; S7-M55 PolarHBondContact O-N 3.23Å; V9-M55 PolarHBondContact N-O 3.21Å; V9-M55 VanDerWaalsContact N-O 3.07Å; L15-M55 HydrophobicContact CD1-CE 4.03Å; L15-M55 HydrophobicContact CD2-CE 3.91Å; V48-M55 HydrophobicContact CG1-CE 3.96Å; V48-M55 HydrophobicContact CG1-CG 4.49Å; M55-L57 HydrophobicContact CE-CD2 4.18Å; M55-L329 HydrophobicContact CE-CD2 3.71Å; M55-L329 HydrophobicContact SD-CD1 4.31Å; M55-L329 HydrophobicContact SD-CD2 4.02Å; M55-F346 HydrophobicContact SD-CG 4.44Å |
| 56 | K | 94.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 56.6 Ų | 56.6 | 34% | 0.339 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.4 | 178.2 | -76.7 | 165.6 | 178.5 | 162.4 | 0 | 110.5 | V9 N10 R49 E54 | V9-K56 HydrophobicContact CB-CD 4.41Å; V9-K56 HydrophobicContact CB-CG 3.87Å; V9-K56 VanDerWaalsContact CG1-CE 3.41Å; V9-K56 HydrophobicContact CG1-CG 4.46Å; V9-K56 HydrophobicContact CG2-CG 4.3Å; N10-K56 WeakPolarHBondContact OD1-CA 3.34Å; R49-K56 PolarHBondContact N-O 3.13Å; R49-K56 PolarHBondContact O-N 3.29Å; E54-K56 IonicContact OE1-NZ 2.94Å; E54-K56 PolarHBondContact OE1-NZ 2.89Å; E54-K56 WeakPolarHBondContact OE2-CE 3.48Å; E54-K56 IonicContact OE2-NZ 3.36Å; E54-K56 PolarHBondContact OE2-NZ 2.93Å |
| 57 | L | 94.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.3 | 172.2 | -70 | -178 | 0 | 0 | 0 | 110.4 | N10 C11 L14 L15 L30 F46 G47 V48 M55 | N10-L57 PolarHBondContact ND2-O 3.05Å; N10-L57 PolarHBondContact OD1-N 2.64Å; C11-L57 HydrophobicContact CB-CB 4.4Å; C11-L57 HydrophobicContact CB-CD1 3.42Å; C11-L57 VanDerWaalsContact CB-CD1 3.42Å; C11-L57 HydrophobicContact CB-CG 3.61Å; L14-L57 HydrophobicContact CB-CD1 4.34Å; L14-L57 HydrophobicContact CD1-CD1 3.96Å; L15-L57 HydrophobicContact CD1-CD1 4.04Å; L30-L57 HydrophobicContact CB-CD2 4.24Å; L30-L57 HydrophobicContact CD2-CD1 3.69Å; L30-L57 HydrophobicContact CD2-CD2 3.98Å; F46-L57 HydrophobicContact CB-CB 4.01Å; F46-L57 HydrophobicContact CB-CD1 4.26Å; F46-L57 HydrophobicContact CB-CD2 3.86Å; F46-L57 HydrophobicContact CB-CG 4.25Å; F46-L57 HydrophobicContact CD1-CB 3.99Å; F46-L57 HydrophobicContact CD1-CD1 4.37Å; F46-L57 HydrophobicContact CG-CB 4.26Å; F46-L57 HydrophobicContact CG-CD1 4.19Å; G47-L57 WeakPolarHBondContact O-CA 3.42Å; V48-L57 HydrophobicContact CB-CD2 4.37Å; V48-L57 HydrophobicContact CG2-CD2 3.74Å; M55-L57 HydrophobicContact CE-CD2 4.18Å |
| 58 | R | 94.2 | Very high | 93.3 | Very high | 83 Ų | 83 | 64.4 Ų | 64.4 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.3 | 173.7 | -173.8 | -173.6 | -170.8 | -166.9 | 4.5 | 109.5 | F46 G47 I60 | F46-R58 CarbonylContact C-O 3.57Å; F46-R58 VanDerWaalsContact CA-O 3.24Å; F46-R58 WeakPolarHBondContact CA-O 3.39Å; G47-R58 PolarHBondContact N-O 3.3Å; G47-R58 PolarHBondContact O-N 3.49Å; R58-I60 PolarHBondContact O-N 2.76Å |
| 59 | A | 94.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 64 Ų | 64 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 136.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | C41 | C41-A59 HydrophobicContact CB-CB 3.82Å |
| 60 | I | 94.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | trans | -109 | 136.1 | 179.3 | -58.5 | -63.6 | 0 | 0 | 0 | 109.6 | L29 T43 V45 G47 R58 L122 | L29-I60 HydrophobicContact CD2-CD1 4.44Å; L29-I60 HydrophobicContact CD2-CG1 4.21Å; T43-I60 VanDerWaalsContact CG2-O 3.26Å; T43-I60 WeakPolarHBondContact CG2-O 3.26Å; T43-I60 PolarHBondContact OG1-O 3.41Å; V45-I60 HydrophobicContact CB-CB 4.49Å; V45-I60 HydrophobicContact CG1-CB 4.26Å; V45-I60 HydrophobicContact CG1-CG1 4.41Å; V45-I60 WeakPolarHBondContact O-CB 3.44Å; V45-I60 PolarHBondContact O-N 3Å; G47-I60 VanDerWaalsContact N-CG1 3.34Å; R58-I60 PolarHBondContact O-N 2.76Å; I60-L122 HydrophobicContact CG2-CD1 3.63Å; I60-L122 HydrophobicContact CG2-CG 3.7Å | ||
| 61 | S | 93.3 | Very high | 93.5 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 150.2 | 178.4 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | K119 T121 L122 | S61-K119 VanDerWaalsContact OG-CE 3.29Å; S61-K119 WeakPolarHBondContact OG-CE 3.45Å; S61-K119 PolarHBondContact OG-NZ 2.89Å; S61-T121 WeakPolarHBondContact O-CA 3.34Å; S61-L122 PolarHBondContact O-N 2.84Å |
| 62 | F | 95.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 158.7 | 171.7 | -79.3 | 9.8 | 0 | 0 | 0 | 110.9 | T43 V45 L69 L109 L122 C124 | T43-F62 HydrophobicContact CG2-CB 3.99Å; T43-F62 HydrophobicContact CG2-CD1 3.54Å; T43-F62 HydrophobicContact CG2-CD2 4.08Å; T43-F62 HydrophobicContact CG2-CE1 4Å; T43-F62 HydrophobicContact CG2-CE2 4.49Å; T43-F62 HydrophobicContact CG2-CG 3.58Å; T43-F62 HydrophobicContact CG2-CZ 4.46Å; V45-F62 HydrophobicContact CB-CE1 4.34Å; V45-F62 HydrophobicContact CG2-CE1 4.01Å; V45-F62 HydrophobicContact CG2-CZ 3.98Å; F62-L69 HydrophobicContact CE2-CD2 3.89Å; F62-L69 HydrophobicContact CZ-CD2 3.71Å; F62-L109 HydrophobicContact CE1-CD1 4.32Å; F62-L109 HydrophobicContact CZ-CD1 4.22Å; F62-L122 CarbonylContact C-O 3.59Å; F62-L122 WeakPolarHBondContact CA-O 3.41Å; F62-L122 HydrophobicContact CD1-CB 3.93Å; F62-L122 HydrophobicContact CE1-CB 4.05Å; F62-L122 HydrophobicContact CE1-CD1 4.25Å; F62-C124 HydrophobicContact CD2-CB 4.04Å; F62-C124 HydrophobicContact CE2-CB 3.58Å; F62-C124 HydrophobicContact CZ-CB 4.02Å |
| 63 | S | 93.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 154.5 | 172 | 71.1 | 0 | 0 | 0 | 0 | 111.9 | D65 S66 D112 L122 K123 | S63-D65 WeakPolarHBondContact CB-OD1 3.34Å; S63-D65 PolarHBondContact O-N 2.81Å; S63-D65 VanDerWaalsContact O-N 3.09Å; S63-D65 PolarHBondContact OG-OD1 2.76Å; S63-S66 PolarHBondContact N-OG 2.64Å; S63-S66 WeakPolarHBondContact O-CB 3.18Å; S63-S66 PolarHBondContact O-N 2.82Å; S63-S66 PolarHBondContact O-OG 2.86Å; S63-S66 PolarHBondContact OG-OG 2.87Å; S63-D112 WeakPolarHBondContact CB-OD1 3.2Å; S63-L122 PolarHBondContact N-O 2.92Å; S63-K123 PolarHBondContact OG-NZ 2.78Å; S63-K123 VanDerWaalsContact OG-NZ 3.16Å |
| 64 | N | 91.8 | Very high | 94.6 | Very high | 177 Ų | 177 | 44.4 Ų | 44.4 | 95% | 0.947 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.6 | -178.1 | -62.4 | 4.9 | 0 | 0 | 0 | 114.1 | ||
| 65 | D | 92.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 19 | 175.5 | 74.9 | -43.5 | 0 | 0 | 0 | 113.5 | S63 K123 K125 | S63-D65 WeakPolarHBondContact CB-OD1 3.34Å; S63-D65 PolarHBondContact O-N 2.81Å; S63-D65 VanDerWaalsContact O-N 3.09Å; S63-D65 PolarHBondContact OG-OD1 2.76Å; D65-K123 VanDerWaalsContact CG-NZ 3.32Å; D65-K123 IonicContact OD1-NZ 3.72Å; D65-K123 PolarHBondContact OD1-NZ 3.1Å; D65-K123 WeakPolarHBondContact OD2-CE 3.3Å; D65-K123 IonicContact OD2-NZ 3.66Å; D65-K123 PolarHBondContact OD2-NZ 2.9Å; D65-K125 WeakPolarHBondContact O-CE 3.39Å; D65-K125 WeakPolarHBondContact OD2-CE 3.25Å; D65-K125 IonicContact OD2-NZ 3.14Å; D65-K125 PolarHBondContact OD2-NZ 3.03Å |
| 66 | S | 94.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | trans | -92 | 145.4 | 176.1 | -66.6 | 0 | 0 | 0 | 0 | 113.2 | S63 K123 C124 | S63-S66 PolarHBondContact N-OG 2.64Å; S63-S66 WeakPolarHBondContact O-CB 3.18Å; S63-S66 PolarHBondContact O-N 2.82Å; S63-S66 PolarHBondContact O-OG 2.86Å; S63-S66 PolarHBondContact OG-OG 2.87Å; S66-K123 WeakPolarHBondContact OG-CA 3.18Å; S66-C124 CarbonylContact C-O 3.42Å; S66-C124 WeakPolarHBondContact CA-O 3.39Å; S66-C124 WeakPolarHBondContact CB-O 3.3Å; S66-C124 PolarHBondContact OG-N 2.83Å | ||
| 67 | C | 94.5 | Very high | 95.2 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | trans | -80 | 140.9 | 158.8 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | L69 C124 E126 | C67-L69 PolarHBondContact O-N 3.05Å; C67-C124 PolarHBondContact N-O 2.87Å; C67-C124 WeakPolarHBondContact O-CB 3.28Å; C67-C124 PolarHBondContact SG-O 2.7Å; C67-C124 VanDerWaalsContact SG-O 3.35Å; C67-E126 PolarHBondContact SG-N 3.36Å | ||
| 68 | Y | 90.8 | Very high | 95.2 | Very high | 142 Ų | 142 | 40.3 Ų | 40.3 | 56% | 0.557 | 22% | 0.216 | S | C | * | . | trans | -78.5 | 116 | 167.2 | -78.1 | -100.4 | 0 | 0 | 0 | 109.1 | P42 T43 | P42-Y68 HydrophobicContact CB-CE1 4.23Å; P42-Y68 WeakPolarHBondContact O-CD1 3.34Å; P42-Y68 WeakPolarHBondContact O-CE1 3.48Å; T43-Y68 HydrophobicContact CG2-CE1 3.93Å | ||
| 69 | L | 91.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | -86.6 | 144 | 173.2 | 84.1 | 166 | 0 | 0 | 0 | 111.1 | F31 F62 C67 I92 Y107 | F31-L69 HydrophobicContact CE1-CD1 4.14Å; F31-L69 HydrophobicContact CE2-CD1 3.69Å; F31-L69 HydrophobicContact CE2-CD2 4.05Å; F31-L69 HydrophobicContact CE2-CG 3.69Å; F31-L69 HydrophobicContact CZ-CD1 3.46Å; F31-L69 VanDerWaalsContact CZ-CD1 3.46Å; F31-L69 HydrophobicContact CZ-CG 3.87Å; F62-L69 HydrophobicContact CE2-CD2 3.89Å; F62-L69 HydrophobicContact CZ-CD2 3.71Å; C67-L69 PolarHBondContact O-N 3.05Å; L69-I92 HydrophobicContact CD1-CD1 4.15Å; L69-Y107 HydrophobicContact CB-CD1 4.04Å; L69-Y107 HydrophobicContact CB-CD2 4.2Å; L69-Y107 HydrophobicContact CB-CE1 3.99Å; L69-Y107 HydrophobicContact CB-CE2 4.12Å; L69-Y107 HydrophobicContact CB-CG 4.16Å; L69-Y107 HydrophobicContact CD1-CD2 4.02Å; L69-Y107 HydrophobicContact CD1-CG 4.15Å | ||
| 70 | P | 95.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 39.6 Ų | 39.6 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | trans | -67 | 156.2 | 176 | 28.3 | -34.9 | 0 | 0 | 0 | 111.2 | F31 W36 L72 T97 | F31-P70 WeakPolarHBondContact CE2-O 3.43Å; F31-P70 VanDerWaalsContact CZ-O 3.27Å; F31-P70 WeakPolarHBondContact CZ-O 3.27Å; W36-P70 HydrophobicContact CH2-CB 4.04Å; W36-P70 HydrophobicContact CZ3-CB 3.77Å; P70-L72 HydrophobicContact CG-CD1 4.49Å; P70-L72 HydrophobicContact CG-CD2 4.06Å; P70-L72 HydrophobicContact CG-CG 4.16Å; P70-L72 WeakPolarHBondContact O-CG 3.38Å; P70-L72 PolarHBondContact O-N 3.04Å; P70-T97 HydrophobicContact CG-CG2 4.39Å | ||
| 71 | P | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | trans | -65.5 | 106.8 | 168.7 | -23.2 | 35.6 | 0 | 0 | 0 | 110.9 | Q33 P37 P98 | Q33-P71 HydrophobicContact CG-CB 4.03Å; Q33-P71 HydrophobicContact CG-CG 3.89Å; Q33-P71 WeakPolarHBondContact O-CB 3.09Å; P37-P71 HydrophobicContact CG-CG 3.86Å; P71-P98 HydrophobicContact CB-CG 4.21Å; P71-P98 HydrophobicContact CG-CG 4.29Å; P71-P98 WeakPolarHBondContact O-CD 3.11Å | ||
| 72 | L | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -98.3 | 132.3 | -176.1 | -65.5 | 158.5 | 0 | 0 | 0 | 110.7 | F31 G32 P70 P75 I92 G94 R96 T97 Y107 | F31-L72 HydrophobicContact CE1-CB 3.92Å; F31-L72 HydrophobicContact CE1-CD1 4.37Å; F31-L72 HydrophobicContact CZ-CB 3.84Å; F31-L72 HydrophobicContact CZ-CD1 4.02Å; F31-L72 HydrophobicContact CZ-CG 4.1Å; G32-L72 WeakPolarHBondContact CA-O 3.11Å; P70-L72 HydrophobicContact CG-CD1 4.49Å; P70-L72 HydrophobicContact CG-CD2 4.06Å; P70-L72 HydrophobicContact CG-CG 4.16Å; P70-L72 WeakPolarHBondContact O-CG 3.38Å; P70-L72 PolarHBondContact O-N 3.04Å; L72-P75 HydrophobicContact CB-CB 4.24Å; L72-P75 HydrophobicContact CB-CG 4.2Å; L72-I92 HydrophobicContact CD1-CG2 4.34Å; L72-G94 WeakPolarHBondContact CD1-O 3.49Å; L72-G94 WeakPolarHBondContact CD2-O 3.49Å; L72-R96 WeakPolarHBondContact CA-O 3.07Å; L72-T97 HydrophobicContact CD2-CG2 4.21Å; L72-Y107 HydrophobicContact CD1-CD2 4.41Å; L72-Y107 HydrophobicContact CD1-CE2 4.09Å | ||
| 73 | R | 98.2 | Very high | 92.2 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -98.8 | 132.8 | 171.7 | -70.2 | 169.7 | -70 | 160.4 | 1 | 111 | Q16 G18 G95 R96 T97 N100 | Q16-R73 HydrophobicContact CG-CG 4.44Å; Q16-R73 VanDerWaalsContact NE2-CG 3.27Å; G18-R73 CarbonylContact O-C 3.43Å; G18-R73 WeakPolarHBondContact O-CA 3.2Å; R73-G95 CarbonylContact O-C 3.55Å; R73-G95 VanDerWaalsContact O-CA 3.32Å; R73-G95 WeakPolarHBondContact O-CA 3.19Å; R73-R96 HydrophobicContact CB-CB 4.44Å; R73-R96 PolarHBondContact N-O 3.21Å; R73-R96 PolarHBondContact O-N 2.94Å; R73-T97 PolarHBondContact NH2-O 3.5Å; R73-N100 PolarHBondContact NH1-OD1 3.18Å; R73-N100 PolarHBondContact NH2-OD1 3.39Å |
| 74 | C | 98.3 | Very high | 90.5 | Very high | 39 Ų | 39 | 55 Ų | 55 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 49.4 | 44.6 | -175.7 | -52.6 | 0 | 0 | 0 | 0 | 114.4 | G18 Y138 G139 F206 | G18-C74 WeakPolarHBondContact CA-SG 3.41Å; G18-C74 PolarHBondContact O-N 3.11Å; C74-Y138 HydrophobicContact CB-CD2 4.06Å; C74-Y138 WeakPolarHBondContact O-CA 3.39Å; C74-G139 PolarHBondContact O-N 2.97Å; C74-F206 HydrophobicContact CB-CE1 4.2Å |
| 75 | P | 98.6 | Very high | 88.9 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | trans | -65.5 | 161.6 | 164.5 | 33.5 | -35.6 | 0 | 0 | 0 | 109.8 | F31 L72 V77 I92 H93 G94 | F31-P75 HydrophobicContact CE1-CG 4.33Å; L72-P75 HydrophobicContact CB-CB 4.24Å; L72-P75 HydrophobicContact CB-CG 4.2Å; P75-V77 HydrophobicContact CG-CG2 3.96Å; P75-I92 HydrophobicContact CB-CG2 3.82Å; P75-I92 HydrophobicContact CG-CG2 4.1Å; P75-H93 WeakPolarHBondContact CA-O 3.37Å; P75-G94 WeakPolarHBondContact CB-O 3.34Å | ||
| 76 | A | 98.5 | Very high | 87.7 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 137.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I92 H93 H140 M142 | A76-I92 WeakPolarHBondContact O-CA 3.3Å; A76-H93 PolarHBondContact N-O 3.08Å; A76-H93 PolarHBondContact O-N 2.8Å; A76-H140 WeakPolarHBondContact CB-CD2 3.29Å; A76-H140 WeakPolarHBondContact CB-NE2 3.43Å; A76-H140 WeakPolarHBondContact CB-O 3.38Å; A76-H140 PolarHBondContact N-CE1 2.87Å; A76-M142 HydrophobicContact CB-CB 4.05Å; A76-M142 HydrophobicContact CB-CE 3.99Å; A76-M142 HydrophobicContact CB-CG 3.71Å; A76-M142 HydrophobicContact CB-SD 4.44Å; A76-M142 WeakPolarHBondContact O-CE 3.37Å |
| 77 | V | 97.3 | Very high | 86.9 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.5 | -179.7 | 175.2 | 0 | 0 | 0 | 0 | 107.8 | L22 P75 Y90 L91 | L22-V77 HydrophobicContact CD2-CG1 3.4Å; L22-V77 VanDerWaalsContact CD2-CG1 3.4Å; L22-V77 HydrophobicContact CD2-CG2 4.48Å; P75-V77 HydrophobicContact CG-CG2 3.96Å; V77-Y90 HydrophobicContact CG1-CD1 3.5Å; V77-Y90 HydrophobicContact CG1-CE1 3.73Å; V77-L91 WeakPolarHBondContact CA-O 3.49Å |
| 78 | C | 95.1 | Very high | 86.5 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 125.9 | 179.7 | -159.9 | 0 | 0 | 0 | 0 | 110.6 | Y90 L91 M142 S143 | C78-Y90 CarbonylContact O-C 3.59Å; C78-Y90 VanDerWaalsContact O-CA 3.29Å; C78-Y90 WeakPolarHBondContact O-CA 3.24Å; C78-Y90 WeakPolarHBondContact O-CD1 3.35Å; C78-L91 HydrophobicContact CB-CB 4.29Å; C78-L91 PolarHBondContact N-O 2.91Å; C78-L91 PolarHBondContact O-N 2.97Å; C78-M142 HydrophobicContact CB-CB 3.79Å; C78-M142 HydrophobicContact CB-CE 4.29Å; C78-S143 WeakPolarHBondContact SG-CA 3.22Å |
| 79 | R | 91.8 | Very high | 86.6 | Confident | 77 Ų | 77 | 48.4 Ų | 48.4 | 29% | 0.291 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.4 | 173 | -170 | -178.5 | -169.3 | 161 | -3.6 | 108.8 | D81 E88 Y90 | R79-D81 VanDerWaalsContact CD-OD1 3.31Å; R79-D81 WeakPolarHBondContact CD-OD1 3.48Å; R79-D81 IonicContact NE-OD1 3.15Å; R79-E88 IonicContact CZ-OE1 3.55Å; R79-E88 IonicContact NE-OE1 2.87Å; R79-E88 PolarHBondContact NE-OE1 2.91Å; R79-E88 IonicContact NH2-OE1 2.7Å; R79-E88 PolarHBondContact NH2-OE1 2.77Å; R79-Y90 HydrophobicContact CB-CD1 4.34Å; R79-Y90 HydrophobicContact CB-CE1 3.75Å; R79-Y90 HydrophobicContact CG-CE1 4.28Å; R79-Y90 HydrophobicContact CG-CE2 4.26Å |
| 80 | L | 89.5 | Confident | 86.9 | Confident | 32 Ų | 32 | 49 Ų | 49 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 101.8 | 162.9 | -74.8 | 155.3 | 0 | 0 | 0 | 106.4 | S89 L91 L108 I144 L187 | L80-S89 WeakPolarHBondContact CB-OG 3.4Å; L80-S89 WeakPolarHBondContact CD1-OG 3.29Å; L80-S89 PolarHBondContact N-O 2.79Å; L80-S89 PolarHBondContact O-N 2.86Å; L80-L91 HydrophobicContact CD1-CD1 4.48Å; L80-L91 HydrophobicContact CD1-CD2 4.25Å; L80-L91 HydrophobicContact CD1-CG 3.91Å; L80-L108 HydrophobicContact CD1-CD1 3.88Å; L80-I144 HydrophobicContact CD2-CD1 3.7Å; L80-I144 HydrophobicContact CD2-CG1 3.83Å; L80-I144 HydrophobicContact CG-CD1 4.35Å; L80-I144 HydrophobicContact CG-CG1 4.4Å; L80-L187 HydrophobicContact CD2-CD1 4.23Å |
| 81 | D | 82.6 | Confident | 86.9 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | trans | -61.2 | 144.2 | 171.6 | -75.8 | -2.3 | 0 | 0 | 0 | 109 | R79 Y83 R265 | R79-D81 VanDerWaalsContact CD-OD1 3.31Å; R79-D81 WeakPolarHBondContact CD-OD1 3.48Å; R79-D81 IonicContact NE-OD1 3.15Å; D81-Y83 PolarHBondContact O-N 3.1Å; D81-R265 IonicContact OD1-NH1 2.83Å; D81-R265 IonicContact OD2-CZ 2.82Å; D81-R265 IonicContact OD2-NH1 3.31Å; D81-R265 PolarHBondContact OD2-NH1 3.04Å | ||
| 82 | P | 76.7 | Confident | 87 | Confident | 86 Ų | 86 | 48.1 Ų | 48.1 | 56% | 0.558 | 27% | 0.272 | S | S | * | . | trans | -56.4 | 132.6 | -176.8 | -25.8 | 33.3 | 0 | 0 | 0 | 113.8 | E88 | P82-E88 HydrophobicContact CG-CB 4.01Š| ||
| 83 | Y | 67.6 | Low | 87 | Confident | 106 Ų | 106 | 48.1 Ų | 48.1 | 42% | 0.416 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -150.2 | 142.4 | -176.9 | -172 | -105.9 | 0 | 0 | 0 | 111.6 | D81 G85 L86 | D81-Y83 PolarHBondContact O-N 3.1Å; Y83-G85 PolarHBondContact O-N 3.08Å; Y83-L86 PolarHBondContact N-O 3.21Å; Y83-L86 WeakPolarHBondContact O-CB 3.29Å; Y83-L86 PolarHBondContact O-N 3.06Å |
| 84 | D | 58.6 | Low | 87 | Confident | 134 Ų | 134 | 45.8 Ų | 45.8 | 72% | 0.717 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.6 | 36.1 | 178.2 | -73.1 | 1.6 | 0 | 0 | 0 | 115.8 | L86 | D84-L86 VanDerWaalsContact C-N 3.28Å; D84-L86 PolarHBondContact O-N 3.04Å |
| 85 | G | 58.1 | Low | 87 | Confident | 83 Ų | 83 | 43.9 Ų | 43.9 | 86% | 0.856 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -1.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y83 | Y83-G85 PolarHBondContact O-N 3.08Š|
| 86 | L | 66.7 | Low | 87 | Confident | 127 Ų | 127 | 45.4 Ų | 45.4 | 67% | 0.665 | 26% | 0.255 | S | S | * | . | B | Isolated β-bridge | trans | -72.5 | 137.3 | 166.8 | -61.8 | 175.6 | 0 | 0 | 0 | 110.1 | Y83 D84 | Y83-L86 PolarHBondContact N-O 3.21Å; Y83-L86 WeakPolarHBondContact O-CB 3.29Å; Y83-L86 PolarHBondContact O-N 3.06Å; D84-L86 VanDerWaalsContact C-N 3.28Å; D84-L86 PolarHBondContact O-N 3.04Å |
| 87 | P | 77.9 | Confident | 86.9 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 163.8 | 176.6 | 31.9 | -36.1 | 0 | 0 | 0 | 111.6 | ||
| 88 | E | 87.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 138.7 | 166.5 | -176.6 | 167.8 | -112.4 | 0 | 0 | 111.4 | L24 D25 R79 P82 | L24-E88 WeakPolarHBondContact CA-OE2 3.45Å; L24-E88 HydrophobicContact CD1-CB 3.99Å; L24-E88 HydrophobicContact CD1-CG 3.76Å; L24-E88 VanDerWaalsContact CD1-O 3.25Å; L24-E88 WeakPolarHBondContact CD1-O 3.46Å; D25-E88 PolarHBondContact N-OE2 3.21Å; R79-E88 IonicContact CZ-OE1 3.55Å; R79-E88 IonicContact NE-OE1 2.87Å; R79-E88 PolarHBondContact NE-OE1 2.91Å; R79-E88 IonicContact NH2-OE1 2.7Å; R79-E88 PolarHBondContact NH2-OE1 2.77Å; P82-E88 HydrophobicContact CG-CB 4.01Å |
| 89 | S | 93.3 | Very high | 86.8 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 173.9 | -179.3 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | L80 L109 | L80-S89 WeakPolarHBondContact CB-OG 3.4Å; L80-S89 WeakPolarHBondContact CD1-OG 3.29Å; L80-S89 PolarHBondContact N-O 2.79Å; L80-S89 PolarHBondContact O-N 2.86Å; S89-L109 CarbonylContact C-O 3.52Å; S89-L109 WeakPolarHBondContact CA-O 3.26Å; S89-L109 VanDerWaalsContact CB-O 3.27Å; S89-L109 WeakPolarHBondContact CB-O 3.44Å |
| 90 | Y | 96.4 | Very high | 86.8 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.6 | -179.7 | -84.6 | -89.9 | 0 | 0 | 0 | 111.9 | L22 Q23 L24 V77 C78 R79 L108 L109 | L22-Y90 HydrophobicContact CB-CD2 4.09Å; L22-Y90 HydrophobicContact CB-CE1 4.31Å; L22-Y90 HydrophobicContact CB-CE2 3.77Å; L22-Y90 HydrophobicContact CB-CG 4.49Å; L22-Y90 HydrophobicContact CD2-CD1 3.94Å; L22-Y90 HydrophobicContact CD2-CE1 3.97Å; L22-Y90 HydrophobicContact CD2-CG 4.31Å; Q23-Y90 PolarHBondContact N-OH 2.95Å; Q23-Y90 WeakPolarHBondContact O-CE2 3.39Å; Q23-Y90 PolarHBondContact O-OH 3.44Å; L24-Y90 HydrophobicContact CB-CE2 4.44Å; V77-Y90 HydrophobicContact CG1-CD1 3.5Å; V77-Y90 HydrophobicContact CG1-CE1 3.73Å; C78-Y90 CarbonylContact O-C 3.59Å; C78-Y90 VanDerWaalsContact O-CA 3.29Å; C78-Y90 WeakPolarHBondContact O-CA 3.24Å; C78-Y90 WeakPolarHBondContact O-CD1 3.35Å; R79-Y90 HydrophobicContact CB-CD1 4.34Å; R79-Y90 HydrophobicContact CB-CE1 3.75Å; R79-Y90 HydrophobicContact CG-CE1 4.28Å; R79-Y90 HydrophobicContact CG-CE2 4.26Å; Y90-L108 WeakPolarHBondContact O-CA 3.42Å; Y90-L109 PolarHBondContact N-O 3.01Å; Y90-L109 PolarHBondContact O-N 2.7Å |
| 91 | L | 97.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.6 | 160.4 | -63.8 | 178 | 0 | 0 | 0 | 109.4 | V77 C78 L80 L106 Y107 L108 M142 I144 C153 L187 | V77-L91 WeakPolarHBondContact CA-O 3.49Å; C78-L91 HydrophobicContact CB-CB 4.29Å; C78-L91 PolarHBondContact N-O 2.91Å; C78-L91 PolarHBondContact O-N 2.97Å; L80-L91 HydrophobicContact CD1-CD1 4.48Å; L80-L91 HydrophobicContact CD1-CD2 4.25Å; L80-L91 HydrophobicContact CD1-CG 3.91Å; L91-L106 HydrophobicContact CB-CD1 4.14Å; L91-L106 HydrophobicContact CD2-CD1 4.25Å; L91-Y107 CarbonylContact C-O 3.57Å; L91-Y107 WeakPolarHBondContact CA-O 3.3Å; L91-L108 HydrophobicContact CD2-CB 4.3Å; L91-L108 HydrophobicContact CD2-CD1 3.98Å; L91-M142 HydrophobicContact CB-CE 3.81Å; L91-M142 WeakPolarHBondContact O-CE 3.32Å; L91-I144 HydrophobicContact CD1-CD1 4.16Å; L91-C153 HydrophobicContact CD1-CB 4.09Å; L91-L187 HydrophobicContact CD1-CD1 3.85Å; L91-L187 HydrophobicContact CD1-CD2 3.75Å; L91-L187 HydrophobicContact CD1-CG 4.47Å |
| 92 | I | 98.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119.9 | 175.6 | -55.2 | 176.8 | 0 | 0 | 0 | 107.3 | L22 F31 L69 L72 P75 A76 Y107 L109 | L22-I92 HydrophobicContact CD1-CD1 4.33Å; F31-I92 HydrophobicContact CD1-CD1 4.13Å; F31-I92 HydrophobicContact CE1-CD1 4.22Å; F31-I92 HydrophobicContact CE1-CG2 4Å; L69-I92 HydrophobicContact CD1-CD1 4.15Å; L72-I92 HydrophobicContact CD1-CG2 4.34Å; P75-I92 HydrophobicContact CB-CG2 3.82Å; P75-I92 HydrophobicContact CG-CG2 4.1Å; A76-I92 WeakPolarHBondContact O-CA 3.3Å; I92-Y107 PolarHBondContact N-O 2.82Å; I92-Y107 PolarHBondContact O-N 2.85Å; I92-L109 HydrophobicContact CD1-CB 4.48Å; I92-L109 HydrophobicContact CD1-CD2 4.33Å |
| 93 | H | 98.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.3 | -179.7 | 178.6 | -113.4 | 0 | 0 | 0 | 111.9 | P75 A76 S104 S105 L106 H140 M142 M155 | P75-H93 WeakPolarHBondContact CA-O 3.37Å; A76-H93 PolarHBondContact N-O 3.08Å; A76-H93 PolarHBondContact O-N 2.8Å; H93-S104 PolarHBondContact NE2-O 2.83Å; H93-S105 PolarHBondContact CD2-O 3.49Å; H93-S105 VanDerWaalsContact CD2-O 3.28Å; H93-L106 HydrophobicContact CB-CD1 3.95Å; H93-H140 VanDerWaalsContact C-CE1 3.41Å; H93-H140 WeakPolarHBondContact CA-NE2 3.38Å; H93-H140 WeakPolarHBondContact CB-NE2 3.49Å; H93-H140 AromaticContact CE1-NE2 3.57Å; H93-H140 AromaticContact CG-NE2 2.93Å; H93-H140 AromaticContact ND1-CD2 3.69Å; H93-H140 AromaticContact ND1-NE2 2.44Å; H93-H140 PolarHBondContact ND1-NE2 2.93Å; H93-H140 PolarHBondContact O-CE1 2.88Å; H93-H140 PolarHBondContact O-NE2 2.82Å; H93-M142 HydrophobicContact CB-CE 3.58Å; H93-M142 HydrophobicContact CB-SD 3.58Å; H93-M142 VanDerWaalsContact CB-SD 3.58Å; H93-M155 VanDerWaalsContact CE1-SD 3.56Å; H93-M155 PolarHBondContact ND1-SD 2.89Å |
| 94 | G | 98.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 62 | -143.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L72 P75 S103 S105 R137 H140 | L72-G94 WeakPolarHBondContact CD1-O 3.49Å; L72-G94 WeakPolarHBondContact CD2-O 3.49Å; P75-G94 WeakPolarHBondContact CB-O 3.34Å; G94-S103 VanDerWaalsContact CA-O 3.25Å; G94-S103 WeakPolarHBondContact CA-O 3.37Å; G94-S105 PolarHBondContact N-O 2.99Å; G94-R137 CarbonylContact C-O 3.56Å; G94-R137 WeakPolarHBondContact CA-O 3.31Å; G94-H140 WeakPolarHBondContact CA-CE1 3.34Å | ||
| 95 | G | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | 88.6 | 169.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R73 I102 S103 R137 H140 | R73-G95 CarbonylContact O-C 3.55Å; R73-G95 VanDerWaalsContact O-CA 3.32Å; R73-G95 WeakPolarHBondContact O-CA 3.19Å; G95-I102 WeakPolarHBondContact O-CA 3.31Å; G95-S103 PolarHBondContact O-N 2.87Å; G95-R137 PolarHBondContact N-O 2.87Å; G95-H140 PolarHBondContact N-CE1 2.92Å | ||
| 96 | R | 98.1 | Very high | 93.8 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -97.7 | 125.8 | -176.3 | -59.2 | -178.9 | 74.2 | -172.2 | 8.1 | 112.2 | L72 R73 E101 I102 Y138 Y161 | L72-R96 WeakPolarHBondContact CA-O 3.07Å; R73-R96 HydrophobicContact CB-CB 4.44Å; R73-R96 PolarHBondContact N-O 3.21Å; R73-R96 PolarHBondContact O-N 2.94Å; R96-E101 CarbonylContact C-O 3.58Å; R96-E101 VanDerWaalsContact CA-O 3.25Å; R96-E101 WeakPolarHBondContact CA-O 3.42Å; R96-I102 HydrophobicContact CG-CG1 4.32Å; R96-Y138 HydrophobicContact CG-CD1 3.87Å; R96-Y138 HydrophobicContact CG-CD2 4.11Å; R96-Y138 HydrophobicContact CG-CE1 4.36Å; R96-Y138 HydrophobicContact CG-CG 3.74Å; R96-Y161 PolarHBondContact NH2-OH 2.81Å |
| 97 | T | 97.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | trans | -66.2 | 171.7 | 175.1 | 76.6 | 0 | 0 | 0 | 0 | 111.3 | P70 L72 R73 N99 N100 E101 | P70-T97 HydrophobicContact CG-CG2 4.39Å; L72-T97 HydrophobicContact CD2-CG2 4.21Å; R73-T97 PolarHBondContact NH2-O 3.5Å; T97-N99 PolarHBondContact O-N 3.05Å; T97-N99 PolarHBondContact OG1-N 2.91Å; T97-N100 PolarHBondContact O-N 3.08Å; T97-E101 HydrophobicContact CG2-CB 4.19Å; T97-E101 PolarHBondContact N-O 2.62Å; T97-E101 PolarHBondContact OG1-N 2.68Å; T97-E101 PolarHBondContact OG1-OE2 3.22Å; T97-E101 VanDerWaalsContact OG1-OE2 3.09Å | ||
| 98 | P | 94.5 | Very high | 96.1 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 20% | 0.195 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.3 | 172.8 | -22.4 | 35.6 | 0 | 0 | 0 | 113.3 | G35 W36 P71 N100 | G35-P98 WeakPolarHBondContact O-CG 3.29Å; W36-P98 HydrophobicContact CD2-CB 4.21Å; W36-P98 HydrophobicContact CD2-CG 3.82Å; W36-P98 HydrophobicContact CE3-CG 4.25Å; W36-P98 HydrophobicContact CG-CB 4.14Å; W36-P98 HydrophobicContact CG-CG 4.06Å; W36-P98 HydrophobicContact CZ2-CG 4.32Å; P71-P98 HydrophobicContact CB-CG 4.21Å; P71-P98 HydrophobicContact CG-CG 4.29Å; P71-P98 WeakPolarHBondContact O-CD 3.11Å; P98-N100 PolarHBondContact O-N 2.69Å |
| 99 | N | 94.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 26.4 Ų | 26.4 | 48% | 0.476 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 3.8 | 174.3 | -64.9 | -4.9 | 0 | 0 | 0 | 113.2 | W36 T97 E101 | W36-N99 PolarHBondContact NE1-OD1 3.13Å; T97-N99 PolarHBondContact O-N 3.05Å; T97-N99 PolarHBondContact OG1-N 2.91Å; N99-E101 HydrophobicContact CB-CG 4.24Å; N99-E101 WeakPolarHBondContact CB-OE2 3.49Å; N99-E101 PolarHBondContact ND2-OE1 3.09Å; N99-E101 PolarHBondContact O-N 2.6Å |
| 100 | N | 92.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 26.9 Ų | 26.9 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | S | Bend | trans | 68 | -3.4 | -171.5 | -61 | -59.5 | 0 | 0 | 0 | 116.5 | R73 T97 P98 Y161 | R73-N100 PolarHBondContact NH1-OD1 3.18Å; R73-N100 PolarHBondContact NH2-OD1 3.39Å; T97-N100 PolarHBondContact O-N 3.08Å; P98-N100 PolarHBondContact O-N 2.69Å; N100-Y161 WeakPolarHBondContact O-CE2 3.36Å; N100-Y161 PolarHBondContact O-OH 2.96Å |
| 101 | E | 95.5 | Very high | 96.4 | Very high | 105 Ų | 105 | 29 Ų | 29 | 49% | 0.491 | 16% | 0.156 | S | C | . | . | trans | -54.7 | 152.8 | 167.6 | -58.9 | 138.9 | 178 | 0 | 0 | 110.3 | R96 T97 N99 | R96-E101 CarbonylContact C-O 3.58Å; R96-E101 VanDerWaalsContact CA-O 3.25Å; R96-E101 WeakPolarHBondContact CA-O 3.42Å; T97-E101 HydrophobicContact CG2-CB 4.19Å; T97-E101 PolarHBondContact N-O 2.62Å; T97-E101 PolarHBondContact OG1-N 2.68Å; T97-E101 PolarHBondContact OG1-OE2 3.22Å; T97-E101 VanDerWaalsContact OG1-OE2 3.09Å; N99-E101 HydrophobicContact CB-CG 4.24Å; N99-E101 WeakPolarHBondContact CB-OE2 3.49Å; N99-E101 PolarHBondContact ND2-OE1 3.09Å; N99-E101 PolarHBondContact O-N 2.6Å | ||
| 102 | I | 97.3 | Very high | 96.2 | Very high | 25 Ų | 25 | 31.8 Ų | 31.8 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -106.2 | 129.8 | 177 | -46.2 | 174.1 | 0 | 0 | 0 | 107.8 | G95 R96 A136 R137 Y138 Y161 | G95-I102 WeakPolarHBondContact O-CA 3.31Å; R96-I102 HydrophobicContact CG-CG1 4.32Å; I102-A136 HydrophobicContact CB-CB 4.13Å; I102-A136 HydrophobicContact CG2-CB 4.12Å; I102-A136 WeakPolarHBondContact O-CB 3.48Å; I102-R137 VanDerWaalsContact CG2-C 3.44Å; I102-R137 VanDerWaalsContact CG2-N 3.3Å; I102-Y138 HydrophobicContact CD1-CD1 3.98Å; I102-Y138 HydrophobicContact CD1-CE1 4.21Å; I102-Y138 HydrophobicContact CG1-CD1 4.41Å; I102-Y138 HydrophobicContact CG2-CD1 4.45Å; I102-Y161 HydrophobicContact CD1-CD2 3.46Å; I102-Y161 VanDerWaalsContact CD1-CD2 3.46Å; I102-Y161 HydrophobicContact CD1-CE2 3.86Å; I102-Y161 HydrophobicContact CD1-CG 3.92Å; I102-Y161 HydrophobicContact CG1-CD2 3.72Å; I102-Y161 HydrophobicContact CG1-CE2 3.69Å |
| 103 | S | 96.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 34 Ų | 34 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | trans | -78 | 152.9 | 175.4 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | G94 G95 S105 A136 R137 | G94-S103 VanDerWaalsContact CA-O 3.25Å; G94-S103 WeakPolarHBondContact CA-O 3.37Å; G95-S103 PolarHBondContact O-N 2.87Å; S103-S105 WeakPolarHBondContact OG-CB 3.33Å; S103-S105 PolarHBondContact OG-N 2.88Å; S103-A136 VanDerWaalsContact O-CA 3.28Å; S103-A136 WeakPolarHBondContact O-CA 3.38Å; S103-A136 WeakPolarHBondContact O-CB 3.46Å; S103-R137 PolarHBondContact O-N 3.03Å | ||
| 104 | S | 96.2 | Very high | 95.2 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 46% | 0.462 | 20% | 0.202 | S | C | . | . | trans | -116.5 | 6.1 | 163.6 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | H93 | H93-S104 PolarHBondContact NE2-O 2.83Š| ||
| 105 | S | 96.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | trans | -76.8 | 142.6 | -179.6 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | H93 G94 S103 Y107 E126 | H93-S105 PolarHBondContact CD2-O 3.49Å; H93-S105 VanDerWaalsContact CD2-O 3.28Å; G94-S105 PolarHBondContact N-O 2.99Å; S103-S105 WeakPolarHBondContact OG-CB 3.33Å; S103-S105 PolarHBondContact OG-N 2.88Å; S105-Y107 VanDerWaalsContact CB-CZ 3.44Å; S105-Y107 WeakPolarHBondContact CB-OH 3.48Å; S105-Y107 PolarHBondContact OG-OH 2.83Å; S105-E126 WeakPolarHBondContact CB-OE1 3.46Å; S105-E126 PolarHBondContact OG-OE1 3.21Å | ||
| 106 | L | 97.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.3 | 166.4 | 178 | 67.3 | 0 | 0 | 0 | 108.4 | L91 H93 E126 K127 L129 M142 | L91-L106 HydrophobicContact CB-CD1 4.14Å; L91-L106 HydrophobicContact CD2-CD1 4.25Å; H93-L106 HydrophobicContact CB-CD1 3.95Å; L106-E126 WeakPolarHBondContact O-CA 3.49Å; L106-K127 HydrophobicContact CB-CB 4.29Å; L106-K127 HydrophobicContact CD2-CB 3.95Å; L106-K127 HydrophobicContact CG-CB 4.06Å; L106-K127 PolarHBondContact O-N 3.07Å; L106-L129 HydrophobicContact CD2-CD1 4.11Å; L106-L129 HydrophobicContact CD2-CD2 4.11Å; L106-L129 HydrophobicContact CD2-CG 4.17Å; L106-M142 HydrophobicContact CD1-CE 4.34Å; L106-M142 HydrophobicContact CD1-SD 4.25Å |
| 107 | Y | 97.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.1 | 175.2 | -56.6 | -79.6 | 0 | 0 | 0 | 110.3 | L69 L72 L91 I92 S105 K125 E126 | L69-Y107 HydrophobicContact CB-CD1 4.04Å; L69-Y107 HydrophobicContact CB-CD2 4.2Å; L69-Y107 HydrophobicContact CB-CE1 3.99Å; L69-Y107 HydrophobicContact CB-CE2 4.12Å; L69-Y107 HydrophobicContact CB-CG 4.16Å; L69-Y107 HydrophobicContact CD1-CD2 4.02Å; L69-Y107 HydrophobicContact CD1-CG 4.15Å; L72-Y107 HydrophobicContact CD1-CD2 4.41Å; L72-Y107 HydrophobicContact CD1-CE2 4.09Å; L91-Y107 CarbonylContact C-O 3.57Å; L91-Y107 WeakPolarHBondContact CA-O 3.3Å; I92-Y107 PolarHBondContact N-O 2.82Å; I92-Y107 PolarHBondContact O-N 2.85Å; S105-Y107 VanDerWaalsContact CB-CZ 3.44Å; S105-Y107 WeakPolarHBondContact CB-OH 3.48Å; S105-Y107 PolarHBondContact OG-OH 2.83Å; Y107-K125 WeakPolarHBondContact CA-O 3.23Å; Y107-E126 HydrophobicContact CD1-CB 3.91Å; Y107-E126 HydrophobicContact CD1-CG 4.18Å; Y107-E126 HydrophobicContact CE1-CB 3.87Å; Y107-E126 HydrophobicContact CE1-CG 3.86Å |
| 108 | L | 96.3 | Very high | 90.2 | Very high | 38 Ų | 38 | 59.7 Ų | 59.7 | 20% | 0.199 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.7 | 166.8 | 175.8 | 61.9 | 0 | 0 | 0 | 108.8 | L80 Y90 L91 T110 C124 K125 K127 | L80-L108 HydrophobicContact CD1-CD1 3.88Å; Y90-L108 WeakPolarHBondContact O-CA 3.42Å; L91-L108 HydrophobicContact CD2-CB 4.3Å; L91-L108 HydrophobicContact CD2-CD1 3.98Å; L108-T110 HydrophobicContact CD1-CG2 4.15Å; L108-T110 HydrophobicContact CD2-CG2 4.37Å; L108-T110 HydrophobicContact CG-CG2 4Å; L108-C124 WeakPolarHBondContact O-CA 3.32Å; L108-K125 PolarHBondContact N-O 3.5Å; L108-K125 PolarHBondContact O-N 2.83Å; L108-K127 HydrophobicContact CB-CG 4.2Å |
| 109 | L | 96.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.3 | 174.8 | -170.8 | 69.5 | 0 | 0 | 0 | 109.6 | L22 F62 S89 Y90 I92 L122 C124 | L22-L109 HydrophobicContact CD1-CD2 3.61Å; F62-L109 HydrophobicContact CE1-CD1 4.32Å; F62-L109 HydrophobicContact CZ-CD1 4.22Å; S89-L109 CarbonylContact C-O 3.52Å; S89-L109 WeakPolarHBondContact CA-O 3.26Å; S89-L109 VanDerWaalsContact CB-O 3.27Å; S89-L109 WeakPolarHBondContact CB-O 3.44Å; Y90-L109 PolarHBondContact N-O 3.01Å; Y90-L109 PolarHBondContact O-N 2.7Å; I92-L109 HydrophobicContact CD1-CB 4.48Å; I92-L109 HydrophobicContact CD1-CD2 4.33Å; L109-L122 HydrophobicContact CD1-CB 4.14Å; L109-L122 HydrophobicContact CD1-CD1 4.22Å; L109-L122 HydrophobicContact CD2-CD1 4.36Å; L109-C124 HydrophobicContact CD1-CB 3.85Å |
| 110 | T | 94.7 | Very high | 89.6 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 14% | 0.135 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 158.5 | -172.8 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | L108 L122 K123 | L108-T110 HydrophobicContact CD1-CG2 4.15Å; L108-T110 HydrophobicContact CD2-CG2 4.37Å; L108-T110 HydrophobicContact CG-CG2 4Å; T110-L122 CarbonylContact O-C 3.6Å; T110-L122 WeakPolarHBondContact O-CA 3.4Å; T110-K123 PolarHBondContact N-O 2.91Å; T110-K123 PolarHBondContact O-N 3.06Å; T110-K123 VanDerWaalsContact OG1-CB 3.29Å; T110-K123 WeakPolarHBondContact OG1-CB 3.43Å; T110-K123 WeakPolarHBondContact OG1-CG 3.49Å; T110-K123 PolarHBondContact OG1-O 2.79Å |
| 111 | M | 93.1 | Very high | 89.7 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 30% | 0.296 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 135.9 | 159.3 | -168 | -144.9 | -52.7 | 0 | 0 | 108.8 | D25 L120 | D25-M111 HydrophobicContact CB-CE 3.85Å; D25-M111 VanDerWaalsContact CG-CE 3.47Å; M111-L120 HydrophobicContact CG-CD1 3.66Å |
| 112 | D | 92.1 | Very high | 89.7 | Confident | 64 Ų | 64 | 51.3 Ų | 51.3 | 34% | 0.342 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -55.5 | 167.2 | -178.8 | 80.5 | 0 | 0 | 0 | 110.9 | S63 T121 K123 | S63-D112 WeakPolarHBondContact CB-OD1 3.2Å; D112-T121 HydrophobicContact CB-CG2 4.15Å; D112-T121 WeakPolarHBondContact CB-O 3.32Å; D112-T121 PolarHBondContact N-O 3.47Å; D112-K123 HydrophobicContact CB-CB 3.87Å; D112-K123 IonicContact OD1-NZ 2.87Å; D112-K123 PolarHBondContact OD1-NZ 2.85Å |
| 113 | S | 89.7 | Confident | 89.6 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 160.2 | -171.1 | 49.9 | 0 | 0 | 0 | 0 | 111.2 | T121 | S113-T121 PolarHBondContact N-O 2.76Å; S113-T121 PolarHBondContact O-N 3Å; S113-T121 WeakPolarHBondContact OG-CB 3.23Å |
| 114 | R | 86.9 | Confident | 89.6 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.5 | 161.3 | -75.7 | -163.5 | 179.6 | -105.4 | 5.3 | 109.3 | D25 E27 R118 K119 L120 | D25-R114 PolarHBondContact O-NH2 2.79Å; D25-R114 IonicContact OD2-CZ 3.14Å; D25-R114 IonicContact OD2-NE 2.7Å; D25-R114 PolarHBondContact OD2-NE 2.85Å; D25-R114 IonicContact OD2-NH2 2.74Å; D25-R114 PolarHBondContact OD2-NH2 2.99Å; E27-R114 IonicContact OE1-NH1 3.15Å; E27-R114 PolarHBondContact OE1-NH1 2.81Å; E27-R114 VanDerWaalsContact OE1-NH1 3.15Å; R114-R118 PolarHBondContact NH1-O 3.34Å; R114-K119 WeakPolarHBondContact CA-O 3.42Å; R114-L120 HydrophobicContact CG-CD1 4.45Å |
| 115 | G | 73.8 | Confident | 89.6 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 38% | 0.381 | 27% | 0.271 | S | S | . | . | trans | -72.5 | -179.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R118 K119 | G115-R118 WeakPolarHBondContact O-CA 3.3Å; G115-R118 PolarHBondContact O-N 3.28Å; G115-K119 PolarHBondContact N-O 2.9Å | ||
| 116 | C | 65.2 | Low | 89.6 | Confident | 120 Ų | 120 | 56 Ų | 56 | 81% | 0.811 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -47.3 | 145.4 | 166.5 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | R118 | C116-R118 PolarHBondContact O-N 3.37Š|
| 117 | N | 73.8 | Confident | 89.4 | Confident | 153 Ų | 153 | 59.9 Ų | 59.9 | 82% | 0.818 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | 61.9 | 23.7 | -171.1 | -52.4 | -32.7 | 0 | 0 | 0 | 114.8 | K119 | N117-K119 PolarHBondContact O-N 2.67Š|
| 118 | R | 74 | Confident | 89.2 | Confident | 200 Ų | 200 | 67.5 Ų | 67.5 | 76% | 0.755 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | 55.3 | 21.1 | 178.5 | -57 | -176.5 | -179.9 | -176.3 | -0.3 | 114.4 | R114 G115 C116 L120 | R114-R118 PolarHBondContact NH1-O 3.34Å; G115-R118 WeakPolarHBondContact O-CA 3.3Å; G115-R118 PolarHBondContact O-N 3.28Å; C116-R118 PolarHBondContact O-N 3.37Å; R118-L120 PolarHBondContact O-N 3.27Å |
| 119 | K | 84.6 | Confident | 89.1 | Confident | 78 Ų | 78 | 67 Ų | 67 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | trans | -62 | 120 | 176.7 | -177.3 | -177.6 | 172 | -171.6 | 0 | 108.4 | S61 R114 G115 N117 | S61-K119 VanDerWaalsContact OG-CE 3.29Å; S61-K119 WeakPolarHBondContact OG-CE 3.45Å; S61-K119 PolarHBondContact OG-NZ 2.89Å; R114-K119 WeakPolarHBondContact CA-O 3.42Å; G115-K119 PolarHBondContact N-O 2.9Å; N117-K119 PolarHBondContact O-N 2.67Å | ||
| 120 | L | 91.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128 | 175.2 | 178.1 | 60.2 | 0 | 0 | 0 | 109.5 | L29 M111 R114 R118 L122 | L29-L120 HydrophobicContact CD2-CD2 4.17Å; M111-L120 HydrophobicContact CG-CD1 3.66Å; R114-L120 HydrophobicContact CG-CD1 4.45Å; R118-L120 PolarHBondContact O-N 3.27Å; L120-L122 HydrophobicContact CD1-CD2 4.07Å; L120-L122 HydrophobicContact CD2-CD2 3.95Å; L120-L122 HydrophobicContact CG-CD2 3.87Å; L120-L122 HydrophobicContact CG-CG 4.41Å |
| 121 | T | 94 | Very high | 88.9 | Confident | 24 Ų | 24 | 73 Ų | 73 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.1 | 167.6 | -55.4 | 0 | 0 | 0 | 0 | 107.7 | S61 D112 S113 | S61-T121 WeakPolarHBondContact O-CA 3.34Å; D112-T121 HydrophobicContact CB-CG2 4.15Å; D112-T121 WeakPolarHBondContact CB-O 3.32Å; D112-T121 PolarHBondContact N-O 3.47Å; S113-T121 PolarHBondContact N-O 2.76Å; S113-T121 PolarHBondContact O-N 3Å; S113-T121 WeakPolarHBondContact OG-CB 3.23Å |
| 122 | L | 95.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155.3 | 179.9 | -60.8 | 177.5 | 0 | 0 | 0 | 111.4 | L24 L29 V45 I60 S61 F62 S63 L109 T110 L120 | L24-L122 HydrophobicContact CD2-CD2 3.61Å; L29-L122 HydrophobicContact CD1-CD1 3.76Å; L29-L122 HydrophobicContact CD1-CD2 4.32Å; V45-L122 HydrophobicContact CG1-CD1 3.93Å; I60-L122 HydrophobicContact CG2-CD1 3.63Å; I60-L122 HydrophobicContact CG2-CG 3.7Å; S61-L122 PolarHBondContact O-N 2.84Å; F62-L122 CarbonylContact C-O 3.59Å; F62-L122 WeakPolarHBondContact CA-O 3.41Å; F62-L122 HydrophobicContact CD1-CB 3.93Å; F62-L122 HydrophobicContact CE1-CB 4.05Å; F62-L122 HydrophobicContact CE1-CD1 4.25Å; S63-L122 PolarHBondContact N-O 2.92Å; L109-L122 HydrophobicContact CD1-CB 4.14Å; L109-L122 HydrophobicContact CD1-CD1 4.22Å; L109-L122 HydrophobicContact CD2-CD1 4.36Å; T110-L122 CarbonylContact O-C 3.6Å; T110-L122 WeakPolarHBondContact O-CA 3.4Å; L120-L122 HydrophobicContact CD1-CD2 4.07Å; L120-L122 HydrophobicContact CD2-CD2 3.95Å; L120-L122 HydrophobicContact CG-CD2 3.87Å; L120-L122 HydrophobicContact CG-CG 4.41Å |
| 123 | K | 95.8 | Very high | 89.3 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.9 | 170.3 | 163.8 | -177.9 | -96.7 | 51.5 | 0 | 108.4 | S63 D65 S66 T110 D112 K125 | S63-K123 PolarHBondContact OG-NZ 2.78Å; S63-K123 VanDerWaalsContact OG-NZ 3.16Å; D65-K123 VanDerWaalsContact CG-NZ 3.32Å; D65-K123 IonicContact OD1-NZ 3.72Å; D65-K123 PolarHBondContact OD1-NZ 3.1Å; D65-K123 WeakPolarHBondContact OD2-CE 3.3Å; D65-K123 IonicContact OD2-NZ 3.66Å; D65-K123 PolarHBondContact OD2-NZ 2.9Å; S66-K123 WeakPolarHBondContact OG-CA 3.18Å; T110-K123 PolarHBondContact N-O 2.91Å; T110-K123 PolarHBondContact O-N 3.06Å; T110-K123 VanDerWaalsContact OG1-CB 3.29Å; T110-K123 WeakPolarHBondContact OG1-CB 3.43Å; T110-K123 WeakPolarHBondContact OG1-CG 3.49Å; T110-K123 PolarHBondContact OG1-O 2.79Å; D112-K123 HydrophobicContact CB-CB 3.87Å; D112-K123 IonicContact OD1-NZ 2.87Å; D112-K123 PolarHBondContact OD1-NZ 2.85Å; K123-K125 HydrophobicContact CG-CG 4.25Å |
| 124 | C | 96.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.3 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | F62 S66 C67 L108 L109 | F62-C124 HydrophobicContact CD2-CB 4.04Å; F62-C124 HydrophobicContact CE2-CB 3.58Å; F62-C124 HydrophobicContact CZ-CB 4.02Å; S66-C124 CarbonylContact C-O 3.42Å; S66-C124 WeakPolarHBondContact CA-O 3.39Å; S66-C124 WeakPolarHBondContact CB-O 3.3Å; S66-C124 PolarHBondContact OG-N 2.83Å; C67-C124 PolarHBondContact N-O 2.87Å; C67-C124 WeakPolarHBondContact O-CB 3.28Å; C67-C124 PolarHBondContact SG-O 2.7Å; C67-C124 VanDerWaalsContact SG-O 3.35Å; L108-C124 WeakPolarHBondContact O-CA 3.32Å; L109-C124 HydrophobicContact CD1-CB 3.85Å |
| 125 | K | 96.2 | Very high | 90 | Very high | 87 Ų | 87 | 71.5 Ų | 71.5 | 38% | 0.378 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 125.5 | 175 | -63.2 | -161.7 | 174.7 | -166.9 | 0 | 111.1 | D65 Y107 L108 K123 | D65-K125 WeakPolarHBondContact O-CE 3.39Å; D65-K125 WeakPolarHBondContact OD2-CE 3.25Å; D65-K125 IonicContact OD2-NZ 3.14Å; D65-K125 PolarHBondContact OD2-NZ 3.03Å; Y107-K125 WeakPolarHBondContact CA-O 3.23Å; L108-K125 PolarHBondContact N-O 3.5Å; L108-K125 PolarHBondContact O-N 2.83Å; K123-K125 HydrophobicContact CG-CG 4.25Å |
| 126 | E | 95.8 | Very high | 91.1 | Very high | 101 Ų | 101 | 71.3 Ų | 71.3 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 138.1 | 166.3 | -167.6 | 156.6 | -169.6 | 0 | 0 | 109 | C67 S105 L106 Y107 | C67-E126 PolarHBondContact SG-N 3.36Å; S105-E126 WeakPolarHBondContact CB-OE1 3.46Å; S105-E126 PolarHBondContact OG-OE1 3.21Å; L106-E126 WeakPolarHBondContact O-CA 3.49Å; Y107-E126 HydrophobicContact CD1-CB 3.91Å; Y107-E126 HydrophobicContact CD1-CG 4.18Å; Y107-E126 HydrophobicContact CE1-CB 3.87Å; Y107-E126 HydrophobicContact CE1-CG 3.86Å |
| 127 | K | 94.2 | Very high | 92.7 | Very high | 83 Ų | 83 | 66.1 Ų | 66.1 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 105.3 | -177 | -85.8 | -79.7 | -166.4 | 160.5 | 0 | 107.2 | L106 L108 L187 | L106-K127 HydrophobicContact CB-CB 4.29Å; L106-K127 HydrophobicContact CD2-CB 3.95Å; L106-K127 HydrophobicContact CG-CB 4.06Å; L106-K127 PolarHBondContact O-N 3.07Å; L108-K127 HydrophobicContact CB-CG 4.2Å; K127-L187 PolarHBondContact NZ-O 3.34Å |
| 128 | E | 91.8 | Very high | 93.9 | Very high | 174 Ų | 174 | 59.8 Ų | 59.8 | 81% | 0.813 | 31% | 0.314 | S | S | * | . | trans | -62.2 | 141.1 | 168.2 | -63.9 | -174 | 165.6 | 0 | 0 | 109.8 | ||||
| 129 | L | 93.6 | Very high | 95 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | trans | -116.4 | 143.4 | 170.8 | -68.5 | 177.1 | 0 | 0 | 0 | 109 | L106 V133 F185 G190 | L106-L129 HydrophobicContact CD2-CD1 4.11Å; L106-L129 HydrophobicContact CD2-CD2 4.11Å; L106-L129 HydrophobicContact CD2-CG 4.17Å; L129-V133 HydrophobicContact CB-CG1 4.22Å; L129-V133 HydrophobicContact CB-CG2 3.91Å; L129-V133 VanDerWaalsContact O-CG2 3.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.26Å; L129-F185 HydrophobicContact CD1-CD1 3.76Å; L129-F185 HydrophobicContact CD1-CD2 4.28Å; L129-F185 HydrophobicContact CD1-CE1 3.85Å; L129-F185 HydrophobicContact CD1-CE2 4.36Å; L129-F185 HydrophobicContact CD1-CG 4Å; L129-F185 HydrophobicContact CD1-CZ 4.16Å; L129-F185 HydrophobicContact CD2-CB 4.31Å; L129-F185 HydrophobicContact CD2-CG 4.45Å; L129-G190 CarbonylContact C-O 3.56Å; L129-G190 VanDerWaalsContact CA-O 3.29Å; L129-G190 WeakPolarHBondContact CA-O 3.37Å | ||
| 130 | V | 94.6 | Very high | 95.7 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.2 | 176.5 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | G190 C191 S192 | V130-G190 PolarHBondContact N-O 3.08Å; V130-C191 CarbonylContact O-C 3.48Å; V130-S192 PolarHBondContact O-N 2.8Å |
| 131 | G | 94.8 | Very high | 96 | Very high | 67 Ų | 67 | 48 Ų | 48 | 69% | 0.691 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 95.3 | -135.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | V133 | G131-V133 VanDerWaalsContact C-N 3.31Å; G131-V133 PolarHBondContact O-N 2.96Å |
| 132 | E | 96.6 | Very high | 96.2 | Very high | 111 Ų | 111 | 47.2 Ų | 47.2 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -85.7 | 73.8 | -177.1 | -61.4 | 177.7 | 122.1 | 0 | 0 | 110.3 | F183 S192 A194 | E132-F183 WeakPolarHBondContact O-CD1 3.35Å; E132-S192 PolarHBondContact N-O 2.84Å; E132-S192 WeakPolarHBondContact O-CB 3.49Å; E132-S192 PolarHBondContact O-OG 2.83Å; E132-A194 HydrophobicContact CB-CB 3.85Å; E132-A194 PolarHBondContact OE2-N 3.05Å |
| 133 | V | 96.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 135.1 | -178.3 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | L129 G131 | L129-V133 HydrophobicContact CB-CG1 4.22Å; L129-V133 HydrophobicContact CB-CG2 3.91Å; L129-V133 VanDerWaalsContact O-CG2 3.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.26Å; G131-V133 VanDerWaalsContact C-N 3.31Å; G131-V133 PolarHBondContact O-N 2.96Å |
| 134 | P | 96.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 136.3 | 176.9 | 27.4 | -35.6 | 0 | 0 | 0 | 112.7 | M155 F183 F185 | P134-M155 HydrophobicContact CB-CE 3.44Å; P134-M155 VanDerWaalsContact CB-CE 3.44Å; P134-M155 HydrophobicContact CB-SD 4.3Å; P134-M155 HydrophobicContact CG-CE 3.75Å; P134-M155 HydrophobicContact CG-SD 4.06Å; P134-F183 HydrophobicContact CB-CD1 3.86Å; P134-F183 HydrophobicContact CB-CD2 4.2Å; P134-F183 HydrophobicContact CB-CE1 3.78Å; P134-F183 HydrophobicContact CB-CE2 4.15Å; P134-F183 HydrophobicContact CB-CG 4.07Å; P134-F183 HydrophobicContact CB-CZ 3.95Å; P134-F183 HydrophobicContact CG-CD1 4.25Å; P134-F183 HydrophobicContact CG-CG 4.43Å; P134-F185 HydrophobicContact CG-CE1 3.95Å; P134-F185 HydrophobicContact CG-CZ 3.87Å |
| 135 | G | 94.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 152.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R137 | G135-R137 PolarHBondContact O-N 3.08Å; G135-R137 PolarHBondContact O-NE 2.95Å |
| 136 | A | 97.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -50.5 | 125.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I102 S103 S160 | I102-A136 HydrophobicContact CB-CB 4.13Å; I102-A136 HydrophobicContact CG2-CB 4.12Å; I102-A136 WeakPolarHBondContact O-CB 3.48Å; S103-A136 VanDerWaalsContact O-CA 3.28Å; S103-A136 WeakPolarHBondContact O-CA 3.38Å; S103-A136 WeakPolarHBondContact O-CB 3.46Å; A136-S160 WeakPolarHBondContact O-CB 3.49Å |
| 137 | R | 98.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | trans | -151.8 | 158.8 | -172 | 60.1 | -178.2 | 73.4 | -162.7 | 5.8 | 113.8 | G94 G95 I102 S103 G135 H140 G157 R159 | G94-R137 CarbonylContact C-O 3.56Å; G94-R137 WeakPolarHBondContact CA-O 3.31Å; G95-R137 PolarHBondContact N-O 2.87Å; I102-R137 VanDerWaalsContact CG2-C 3.44Å; I102-R137 VanDerWaalsContact CG2-N 3.3Å; S103-R137 PolarHBondContact O-N 3.03Å; G135-R137 PolarHBondContact O-N 3.08Å; G135-R137 PolarHBondContact O-NE 2.95Å; R137-H140 VanDerWaalsContact C-CE1 3.48Å; R137-H140 HydrophobicContact CG-CB 4.42Å; R137-H140 PolarHBondContact O-CE1 2.84Å; R137-G157 WeakPolarHBondContact CD-O 3.39Å; R137-G157 PolarHBondContact NH1-O 3.39Å; R137-R159 CarbonylContact C-O 3.56Å; R137-R159 WeakPolarHBondContact CA-O 3.44Å; R137-R159 WeakPolarHBondContact CB-O 3.46Å | ||
| 138 | Y | 98.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -136.5 | 159.2 | 174.1 | 74.9 | -77.5 | 0 | 0 | 0 | 111.1 | C74 R96 I102 H140 G158 R159 V175 F206 | C74-Y138 HydrophobicContact CB-CD2 4.06Å; C74-Y138 WeakPolarHBondContact O-CA 3.39Å; R96-Y138 HydrophobicContact CG-CD1 3.87Å; R96-Y138 HydrophobicContact CG-CD2 4.11Å; R96-Y138 HydrophobicContact CG-CE1 4.36Å; R96-Y138 HydrophobicContact CG-CG 3.74Å; I102-Y138 HydrophobicContact CD1-CD1 3.98Å; I102-Y138 HydrophobicContact CD1-CE1 4.21Å; I102-Y138 HydrophobicContact CG1-CD1 4.41Å; I102-Y138 HydrophobicContact CG2-CD1 4.45Å; Y138-H140 PolarHBondContact O-N 2.86Å; Y138-G158 CarbonylContact O-C 3.57Å; Y138-G158 WeakPolarHBondContact O-CA 3.35Å; Y138-R159 HydrophobicContact CD1-CB 4.19Å; Y138-R159 VanDerWaalsContact CD1-O 3.26Å; Y138-R159 WeakPolarHBondContact CD1-O 2.9Å; Y138-R159 HydrophobicContact CE1-CB 3.68Å; Y138-R159 PolarHBondContact N-O 2.85Å; Y138-R159 PolarHBondContact O-N 2.79Å; Y138-V175 HydrophobicContact CE1-CG1 4.1Å; Y138-F206 HydrophobicContact CD2-CZ 4.14Å; Y138-F206 AromaticContact CE2-CZ 3.86Å; Y138-F206 HydrophobicContact CE2-CZ 3.86Å |
| 139 | G | 98.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 65.8 | 21.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C74 S205 F206 | C74-G139 PolarHBondContact O-N 2.97Å; G139-S205 CarbonylContact O-C 3.54Å; G139-S205 WeakPolarHBondContact O-CA 3.44Å; G139-F206 PolarHBondContact O-N 2.86Å |
| 140 | H | 98.7 | Very high | 95.3 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | trans | -88.8 | 169.2 | 166.8 | 54.7 | -61.4 | 0 | 0 | 0 | 110.7 | A76 H93 G94 G95 R137 Y138 M155 F156 G157 | A76-H140 WeakPolarHBondContact CB-CD2 3.29Å; A76-H140 WeakPolarHBondContact CB-NE2 3.43Å; A76-H140 WeakPolarHBondContact CB-O 3.38Å; A76-H140 PolarHBondContact N-CE1 2.87Å; H93-H140 VanDerWaalsContact C-CE1 3.41Å; H93-H140 WeakPolarHBondContact CA-NE2 3.38Å; H93-H140 WeakPolarHBondContact CB-NE2 3.49Å; H93-H140 AromaticContact CE1-NE2 3.57Å; H93-H140 AromaticContact CG-NE2 2.93Å; H93-H140 AromaticContact ND1-CD2 3.69Å; H93-H140 AromaticContact ND1-NE2 2.44Å; H93-H140 PolarHBondContact ND1-NE2 2.93Å; H93-H140 PolarHBondContact O-CE1 2.88Å; H93-H140 PolarHBondContact O-NE2 2.82Å; G94-H140 WeakPolarHBondContact CA-CE1 3.34Å; G95-H140 PolarHBondContact N-CE1 2.92Å; R137-H140 VanDerWaalsContact C-CE1 3.48Å; R137-H140 HydrophobicContact CG-CB 4.42Å; R137-H140 PolarHBondContact O-CE1 2.84Å; Y138-H140 PolarHBondContact O-N 2.86Å; H140-M155 PolarHBondContact CD2-SD 3.2Å; H140-F156 WeakPolarHBondContact CB-O 3.32Å; H140-G157 WeakPolarHBondContact CB-O 3.31Å | ||
| 141 | A | 98.3 | Very high | 95.2 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 155.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M155 F156 H207 A209 | A141-M155 WeakPolarHBondContact O-CA 3.2Å; A141-M155 VanDerWaalsContact O-CG 3.26Å; A141-M155 WeakPolarHBondContact O-CG 3.35Å; A141-F156 PolarHBondContact N-O 2.78Å; A141-F156 PolarHBondContact O-N 2.9Å; A141-F156 VanDerWaalsContact O-N 3.16Å; A141-H207 WeakPolarHBondContact CB-NE2 3.47Å; A141-A209 HydrophobicContact CB-CB 3.52Å |
| 142 | M | 97.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.044 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.1 | 166 | -79.1 | -168.6 | -52.2 | 0 | 0 | 109.8 | A76 C78 L91 H93 L106 V154 M155 F185 | A76-M142 HydrophobicContact CB-CB 4.05Å; A76-M142 HydrophobicContact CB-CE 3.99Å; A76-M142 HydrophobicContact CB-CG 3.71Å; A76-M142 HydrophobicContact CB-SD 4.44Å; A76-M142 WeakPolarHBondContact O-CE 3.37Å; C78-M142 HydrophobicContact CB-CB 3.79Å; C78-M142 HydrophobicContact CB-CE 4.29Å; L91-M142 HydrophobicContact CB-CE 3.81Å; L91-M142 WeakPolarHBondContact O-CE 3.32Å; H93-M142 HydrophobicContact CB-CE 3.58Å; H93-M142 HydrophobicContact CB-SD 3.58Å; H93-M142 VanDerWaalsContact CB-SD 3.58Å; L106-M142 HydrophobicContact CD1-CE 4.34Å; L106-M142 HydrophobicContact CD1-SD 4.25Å; M142-V154 CarbonylContact C-O 3.52Å; M142-V154 VanDerWaalsContact CA-O 3.23Å; M142-V154 WeakPolarHBondContact CA-O 3.36Å; M142-M155 HydrophobicContact CG-CB 3.92Å; M142-M155 HydrophobicContact CG-CG 3.67Å; M142-F185 HydrophobicContact SD-CE2 3.99Å |
| 143 | S | 96.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 139.3 | 176.7 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | C78 V154 | C78-S143 WeakPolarHBondContact SG-CA 3.22Å; S143-V154 PolarHBondContact N-O 2.81Å; S143-V154 PolarHBondContact O-N 2.88Å |
| 144 | I | 95.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 33 Ų | 33 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.8 | 172.8 | -56.3 | -54.5 | 0 | 0 | 0 | 109.6 | L80 L91 T151 A152 C153 L187 A211 | L80-I144 HydrophobicContact CD2-CD1 3.7Å; L80-I144 HydrophobicContact CD2-CG1 3.83Å; L80-I144 HydrophobicContact CG-CD1 4.35Å; L80-I144 HydrophobicContact CG-CG1 4.4Å; L91-I144 HydrophobicContact CD1-CD1 4.16Å; I144-T151 HydrophobicContact CG2-CG2 3.39Å; I144-A152 WeakPolarHBondContact CA-O 3.42Å; I144-C153 HydrophobicContact CD1-CB 3.98Å; I144-L187 HydrophobicContact CD1-CD1 4.16Å; I144-A211 WeakPolarHBondContact O-CB 3.32Å |
| 145 | V | 94.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.9 | 165.4 | -68.8 | 0 | 0 | 0 | 0 | 110.1 | T151 A152 V154 E213 V216 V238 | V145-T151 WeakPolarHBondContact O-CA 3.48Å; V145-A152 HydrophobicContact CG2-CB 4.13Å; V145-A152 PolarHBondContact N-O 2.9Å; V145-A152 PolarHBondContact O-N 3.4Å; V145-V154 HydrophobicContact CB-CG2 4.34Å; V145-V154 HydrophobicContact CG1-CG2 3.66Å; V145-V154 HydrophobicContact CG2-CG2 3.76Å; V145-E213 CarbonylContact C-O 3.56Å; V145-E213 WeakPolarHBondContact CA-O 3.45Å; V145-V216 HydrophobicContact CG1-CG2 3.35Å; V145-V238 HydrophobicContact CG2-CB 4.11Å; V145-V238 HydrophobicContact CG2-CG1 4.22Å |
| 146 | Q | 92.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 30.6 Ų | 30.6 | 42% | 0.421 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.7 | 173.4 | -69.4 | -173.9 | -15.8 | 0 | 0 | 109.4 | K150 T151 E213 D214 | Q146-K150 CarbonylContact C-O 3.54Å; Q146-K150 VanDerWaalsContact CA-O 3.3Å; Q146-K150 WeakPolarHBondContact CA-O 3.37Å; Q146-T151 HydrophobicContact CG-CG2 4.33Å; Q146-E213 PolarHBondContact N-O 3.03Å; Q146-E213 CarbonylContact O-C 3.5Å; Q146-D214 PolarHBondContact O-N 2.96Å |
| 147 | S | 93.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 127 | -177.1 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | G149 K150 V238 E239 L240 | S147-G149 PolarHBondContact O-N 2.98Å; S147-G149 VanDerWaalsContact O-N 3.13Å; S147-K150 PolarHBondContact N-O 3.27Å; S147-K150 PolarHBondContact O-N 3.17Å; S147-V238 WeakPolarHBondContact CB-O 3.48Å; S147-V238 PolarHBondContact OG-O 3.09Å; S147-E239 WeakPolarHBondContact OG-CA 3.38Å; S147-L240 PolarHBondContact OG-N 2.85Å |
| 148 | R | 90.6 | Very high | 95.6 | Very high | 175 Ų | 175 | 28.6 Ų | 28.6 | 66% | 0.66 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 32.3 | 177 | -55.2 | 174 | 176.6 | -129.9 | 4.2 | 114 | E239 | R148-E239 IonicContact CZ-OE2 2.64Å; R148-E239 IonicContact NE-OE2 3.9Å; R148-E239 PolarHBondContact NE-OE2 2.92Å; R148-E239 IonicContact NH2-OE2 3.57Å; R148-E239 PolarHBondContact NH2-OE2 2.87Å |
| 149 | G | 87.5 | Confident | 95.6 | Very high | 69 Ų | 69 | 29.1 Ų | 29.1 | 71% | 0.711 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 7.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S147 | S147-G149 PolarHBondContact O-N 2.98Å; S147-G149 VanDerWaalsContact O-N 3.13Å |
| 150 | K | 90.4 | Very high | 95.6 | Very high | 101 Ų | 101 | 30.2 Ų | 30.2 | 44% | 0.439 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 157.7 | 172 | -59.1 | -176 | -177.5 | -176.1 | 0 | 110.9 | Q146 S147 L240 L241 | Q146-K150 CarbonylContact C-O 3.54Å; Q146-K150 VanDerWaalsContact CA-O 3.3Å; Q146-K150 WeakPolarHBondContact CA-O 3.37Å; S147-K150 PolarHBondContact N-O 3.27Å; S147-K150 PolarHBondContact O-N 3.17Å; K150-L240 HydrophobicContact CB-CB 3.98Å; K150-L240 HydrophobicContact CB-CD1 3.76Å; K150-L240 HydrophobicContact CD-CB 4Å; K150-L241 PolarHBondContact NZ-O 2.97Å |
| 151 | T | 91.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 31 Ų | 31 | 30% | 0.301 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.7 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | I144 V145 Q146 | I144-T151 HydrophobicContact CG2-CG2 3.39Å; V145-T151 WeakPolarHBondContact O-CA 3.48Å; Q146-T151 HydrophobicContact CG-CG2 4.33Å |
| 152 | A | 94.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 5% | 0.05 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I144 V145 F185 L240 | I144-A152 WeakPolarHBondContact CA-O 3.42Å; V145-A152 HydrophobicContact CG2-CB 4.13Å; V145-A152 PolarHBondContact N-O 2.9Å; V145-A152 PolarHBondContact O-N 3.4Å; A152-F185 WeakPolarHBondContact CA-O 3.27Å; A152-L240 HydrophobicContact CB-CD1 3.82Å; A152-L240 HydrophobicContact CB-CD2 3.9Å |
| 153 | C | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.5 | 169.2 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | L91 I144 L184 F185 L187 | L91-C153 HydrophobicContact CD1-CB 4.09Å; I144-C153 HydrophobicContact CD1-CB 3.98Å; C153-L184 WeakPolarHBondContact O-CA 3.5Å; C153-F185 HydrophobicContact CB-CB 4.17Å; C153-F185 HydrophobicContact CB-CD2 3.87Å; C153-F185 HydrophobicContact CB-CG 4.42Å; C153-F185 PolarHBondContact N-O 2.82Å; C153-F185 PolarHBondContact O-N 3.37Å; C153-L187 HydrophobicContact CB-CD1 4.35Å; C153-L187 HydrophobicContact CB-CD2 4.16Å; C153-L187 HydrophobicContact CB-CG 4.42Å |
| 154 | V | 98.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 136.5 | 168.7 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | M142 S143 V145 V182 F183 L184 V216 F218 L236 V238 | M142-V154 CarbonylContact C-O 3.52Å; M142-V154 VanDerWaalsContact CA-O 3.23Å; M142-V154 WeakPolarHBondContact CA-O 3.36Å; S143-V154 PolarHBondContact N-O 2.81Å; S143-V154 PolarHBondContact O-N 2.88Å; V145-V154 HydrophobicContact CB-CG2 4.34Å; V145-V154 HydrophobicContact CG1-CG2 3.66Å; V145-V154 HydrophobicContact CG2-CG2 3.76Å; V154-V182 HydrophobicContact CG1-CG1 3.92Å; V154-F183 CarbonylContact C-O 3.59Å; V154-F183 WeakPolarHBondContact CA-O 3.46Å; V154-L184 HydrophobicContact CB-CD2 4.34Å; V154-L184 HydrophobicContact CG1-CD2 4.49Å; V154-L184 HydrophobicContact CG2-CD2 3.76Å; V154-V216 HydrophobicContact CB-CG2 4.1Å; V154-V216 HydrophobicContact CG1-CG2 4.31Å; V154-V216 HydrophobicContact CG2-CG2 3.8Å; V154-F218 HydrophobicContact CG1-CZ 4.06Å; V154-L236 HydrophobicContact CG1-CD2 3.54Å; V154-L236 HydrophobicContact CG2-CD2 4.43Å; V154-V238 HydrophobicContact CG2-CG2 4.14Å |
| 155 | M | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.4 | 169.8 | -168.8 | -153.7 | 68.7 | 0 | 0 | 111.1 | H93 P134 H140 A141 M142 F183 F185 | H93-M155 VanDerWaalsContact CE1-SD 3.56Å; H93-M155 PolarHBondContact ND1-SD 2.89Å; P134-M155 HydrophobicContact CB-CE 3.44Å; P134-M155 VanDerWaalsContact CB-CE 3.44Å; P134-M155 HydrophobicContact CB-SD 4.3Å; P134-M155 HydrophobicContact CG-CE 3.75Å; P134-M155 HydrophobicContact CG-SD 4.06Å; H140-M155 PolarHBondContact CD2-SD 3.2Å; A141-M155 WeakPolarHBondContact O-CA 3.2Å; A141-M155 VanDerWaalsContact O-CG 3.26Å; A141-M155 WeakPolarHBondContact O-CG 3.35Å; M142-M155 HydrophobicContact CG-CB 3.92Å; M142-M155 HydrophobicContact CG-CG 3.67Å; M155-F183 HydrophobicContact CB-CB 4.33Å; M155-F183 HydrophobicContact CE-CB 4.12Å; M155-F183 HydrophobicContact CE-CD2 3.41Å; M155-F183 VanDerWaalsContact CE-CD2 3.41Å; M155-F183 HydrophobicContact CE-CE2 4.04Å; M155-F183 HydrophobicContact CE-CG 3.86Å; M155-F183 PolarHBondContact N-O 2.64Å; M155-F183 PolarHBondContact O-N 3.37Å; M155-F185 HydrophobicContact CB-CE2 3.96Å; M155-F185 HydrophobicContact CB-CZ 3.76Å; M155-F185 HydrophobicContact CE-CZ 4.49Å; M155-F185 HydrophobicContact CG-CZ 4.33Å; M155-F185 HydrophobicContact SD-CZ 3.92Å |
| 156 | F | 98.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 148.4 | -178.3 | -179.6 | -122 | 0 | 0 | 0 | 113.8 | H140 A141 P180 V182 L200 Q204 H207 F218 | H140-F156 WeakPolarHBondContact CB-O 3.32Å; A141-F156 PolarHBondContact N-O 2.78Å; A141-F156 PolarHBondContact O-N 2.9Å; A141-F156 VanDerWaalsContact O-N 3.16Å; F156-P180 HydrophobicContact CE2-CB 4.08Å; F156-P180 HydrophobicContact CZ-CB 4.41Å; F156-V182 HydrophobicContact CD2-CG2 3.96Å; F156-L200 HydrophobicContact CD2-CD1 4.3Å; F156-L200 HydrophobicContact CE1-CD2 4.46Å; F156-L200 HydrophobicContact CE2-CB 4.37Å; F156-L200 HydrophobicContact CE2-CD1 3.75Å; F156-L200 HydrophobicContact CE2-CG 4.46Å; F156-L200 HydrophobicContact CZ-CB 4.32Å; F156-L200 HydrophobicContact CZ-CD1 3.99Å; F156-L200 HydrophobicContact CZ-CD2 4.01Å; F156-L200 HydrophobicContact CZ-CG 4.33Å; F156-Q204 HydrophobicContact CE1-CG 3.81Å; F156-Q204 HydrophobicContact CZ-CG 4.15Å; F156-H207 AromaticContact CD1-CE1 3.74Å; F156-H207 AromaticContact CD1-NE2 3.74Å; F156-H207 PolarHBondContact O-CE1 3.35Å; F156-F218 HydrophobicContact CB-CE1 3.76Å; F156-F218 HydrophobicContact CB-CE2 4.18Å; F156-F218 HydrophobicContact CB-CZ 3.56Å; F156-F218 HydrophobicContact CD1-CD1 4.02Å; F156-F218 HydrophobicContact CD1-CD2 4.01Å; F156-F218 HydrophobicContact CD1-CE1 4.08Å; F156-F218 HydrophobicContact CD1-CE2 4.06Å; F156-F218 AromaticContact CD1-CG 3.98Å; F156-F218 HydrophobicContact CD1-CG 3.98Å; F156-F218 HydrophobicContact CD1-CZ 4.11Å; F156-F218 HydrophobicContact CE1-CD2 4.49Å; F156-F218 HydrophobicContact CG-CE1 4.35Å; F156-F218 HydrophobicContact CG-CE2 4.24Å; F156-F218 HydrophobicContact CG-CZ 4.1Å |
| 157 | G | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | 66.6 | -147.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R137 H140 Q204 | R137-G157 WeakPolarHBondContact CD-O 3.39Å; R137-G157 PolarHBondContact NH1-O 3.39Å; H140-G157 WeakPolarHBondContact CB-O 3.31Å; G157-Q204 CarbonylContact C-O 3.55Å; G157-Q204 VanDerWaalsContact CA-O 3.26Å; G157-Q204 WeakPolarHBondContact CA-O 3.41Å | ||
| 158 | G | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | 96.8 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y138 D177 C178 Q204 | Y138-G158 CarbonylContact O-C 3.57Å; Y138-G158 WeakPolarHBondContact O-CA 3.35Å; G158-D177 CarbonylContact O-C 3.6Å; G158-D177 WeakPolarHBondContact O-CA 3.44Å; G158-C178 PolarHBondContact O-N 3.07Å; G158-Q204 PolarHBondContact N-O 2.94Å | ||
| 159 | R | 98.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146.6 | 172.4 | -68.8 | -176.8 | -163 | 178.3 | 10.9 | 112.3 | R137 Y138 V175 V176 D177 S205 H222 | R137-R159 CarbonylContact C-O 3.56Å; R137-R159 WeakPolarHBondContact CA-O 3.44Å; R137-R159 WeakPolarHBondContact CB-O 3.46Å; Y138-R159 HydrophobicContact CD1-CB 4.19Å; Y138-R159 VanDerWaalsContact CD1-O 3.26Å; Y138-R159 WeakPolarHBondContact CD1-O 2.9Å; Y138-R159 HydrophobicContact CE1-CB 3.68Å; Y138-R159 PolarHBondContact N-O 2.85Å; Y138-R159 PolarHBondContact O-N 2.79Å; R159-V175 HydrophobicContact CB-CB 4.45Å; R159-V176 CarbonylContact C-O 3.57Å; R159-V176 WeakPolarHBondContact CA-O 3.03Å; R159-V176 WeakPolarHBondContact CB-O 3.37Å; R159-D177 WeakPolarHBondContact CG-OD1 3.36Å; R159-D177 IonicContact NE-OD1 3.91Å; R159-D177 PolarHBondContact NE-OD1 2.93Å; R159-S205 PolarHBondContact NE-OG 3.07Å; R159-S205 PolarHBondContact NH2-OG 2.91Å; R159-S205 VanDerWaalsContact NH2-OG 3.15Å; R159-H222 PolarHBondContact NH2-CE1 2.93Å; R159-H222 PolarHBondContact NH2-ND1 3.45Å |
| 160 | S | 97.7 | Very high | 93.3 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 168.2 | 166.9 | 59.3 | 0 | 0 | 0 | 0 | 110 | A136 V175 V176 | A136-S160 WeakPolarHBondContact O-CB 3.49Å; S160-V175 CarbonylContact O-C 3.52Å; S160-V175 WeakPolarHBondContact O-CA 3.14Å; S160-V175 VanDerWaalsContact O-CB 3.26Å; S160-V175 WeakPolarHBondContact O-CB 3.23Å; S160-V176 PolarHBondContact N-O 3.28Å; S160-V176 PolarHBondContact O-N 3.26Å |
| 161 | Y | 96.3 | Very high | 93.2 | Very high | 29 Ų | 29 | 54 Ų | 54 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 160.5 | 164.3 | -76.5 | -56.8 | 0 | 0 | 0 | 111.2 | R96 N100 I102 R167 N173 V175 | R96-Y161 PolarHBondContact NH2-OH 2.81Å; N100-Y161 WeakPolarHBondContact O-CE2 3.36Å; N100-Y161 PolarHBondContact O-OH 2.96Å; I102-Y161 HydrophobicContact CD1-CD2 3.46Å; I102-Y161 VanDerWaalsContact CD1-CD2 3.46Å; I102-Y161 HydrophobicContact CD1-CE2 3.86Å; I102-Y161 HydrophobicContact CD1-CG 3.92Å; I102-Y161 HydrophobicContact CG1-CD2 3.72Å; I102-Y161 HydrophobicContact CG1-CE2 3.69Å; Y161-R167 VanDerWaalsContact CD2-NH2 3.34Å; Y161-R167 VanDerWaalsContact CG-NH2 3.35Å; Y161-N173 HydrophobicContact CE1-CB 4.49Å; Y161-N173 PolarHBondContact OH-OD1 2.88Å; Y161-V175 HydrophobicContact CD1-CG1 3.69Å; Y161-V175 HydrophobicContact CE1-CG1 3.98Å |
| 162 | M | 92.5 | Very high | 93 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -49.4 | 142.1 | 167.6 | -69.1 | -68.3 | -71.5 | 0 | 0 | 111.2 | E166 R167 S174 V176 | M162-E166 HydrophobicContact CE-CB 3.99Å; M162-E166 WeakPolarHBondContact CE-OE2 3.42Å; M162-R167 HydrophobicContact CB-CB 4.15Å; M162-R167 HydrophobicContact CB-CG 4.4Å; M162-S174 PolarHBondContact N-O 3.13Å; M162-S174 VanDerWaalsContact N-O 3.16Å; M162-V176 HydrophobicContact SD-CG1 3.58Å; M162-V176 VanDerWaalsContact SD-CG1 3.58Å |
| 163 | P | 90.1 | Very high | 92.8 | Very high | 66 Ų | 66 | 60 Ų | 60 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 147.4 | 176.1 | -26.2 | 35 | 0 | 0 | 0 | 112.8 | G165 E166 R167 | P163-G165 PolarHBondContact O-N 3.36Å; P163-E166 PolarHBondContact O-N 3.23Å; P163-R167 PolarHBondContact O-N 3.21Å |
| 164 | A | 85.1 | Confident | 92.7 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 84% | 0.843 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 165 | G | 87.6 | Confident | 92.6 | Very high | 82 Ų | 82 | 63.1 Ų | 63.1 | 85% | 0.845 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P163 | P163-G165 PolarHBondContact O-N 3.36Š|
| 166 | E | 87.9 | Confident | 92.6 | Very high | 124 Ų | 124 | 65.3 Ų | 65.3 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | -13.9 | -176.4 | -65.4 | 170.1 | -146.4 | 0 | 0 | 112.7 | M162 P163 T168 | M162-E166 HydrophobicContact CE-CB 3.99Å; M162-E166 WeakPolarHBondContact CE-OE2 3.42Å; P163-E166 PolarHBondContact O-N 3.23Å; E166-T168 PolarHBondContact O-N 3.3Å |
| 167 | R | 89 | Confident | 92.5 | Very high | 57 Ų | 57 | 66.1 Ų | 66.1 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | trans | -82.5 | 108.6 | -174.1 | -167.6 | -178 | -169.6 | -172.6 | 4.6 | 111.8 | Y161 M162 P163 W172 | Y161-R167 VanDerWaalsContact CD2-NH2 3.34Å; Y161-R167 VanDerWaalsContact CG-NH2 3.35Å; M162-R167 HydrophobicContact CB-CB 4.15Å; M162-R167 HydrophobicContact CB-CG 4.4Å; P163-R167 PolarHBondContact O-N 3.21Å; R167-W172 HydrophobicContact CG-CE3 3.81Å; R167-W172 HydrophobicContact CG-CZ3 4.15Å; R167-W172 PolarHBondContact NE-O 2.88Å; R167-W172 PolarHBondContact NH2-O 3.11Å | ||
| 168 | T | 88.9 | Confident | 92.5 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 39% | 0.387 | 37% | 0.366 | S | S | . | . | trans | -86.5 | 171.6 | 170.1 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | E166 E170 R171 W172 | E166-T168 PolarHBondContact O-N 3.3Å; T168-E170 VanDerWaalsContact C-N 3.35Å; T168-R171 CarbonylContact O-C 3.54Å; T168-R171 PolarHBondContact OG1-N 3.04Å; T168-W172 VanDerWaalsContact O-CA 3.28Å; T168-W172 WeakPolarHBondContact O-CA 3.38Å; T168-W172 PolarHBondContact O-N 2.88Å | ||
| 169 | T | 89.6 | Confident | 92.4 | Very high | 123 Ų | 123 | 70.1 Ų | 70.1 | 76% | 0.755 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -65.8 | -36.4 | 170.3 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | W172 | T169-W172 VanDerWaalsContact O-CB 3.3Å; T169-W172 WeakPolarHBondContact O-CB 3.06Å; T169-W172 PolarHBondContact O-N 2.94Å |
| 170 | E | 90.9 | Very high | 92.3 | Very high | 170 Ų | 170 | 69.8 Ų | 69.8 | 79% | 0.794 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -44.6 | 175.5 | -61.5 | 166.4 | 175 | 0 | 0 | 111.3 | T168 W172 | T168-E170 VanDerWaalsContact C-N 3.35Å; E170-W172 VanDerWaalsContact C-N 3.3Å; E170-W172 PolarHBondContact O-N 2.79Å |
| 171 | R | 87.8 | Confident | 92.3 | Very high | 160 Ų | 160 | 71.2 Ų | 71.2 | 60% | 0.604 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 26.8 | 178.6 | -63.7 | -174.4 | -179.7 | -169.9 | -2.8 | 112.5 | T168 N173 S174 | T168-R171 CarbonylContact O-C 3.54Å; T168-R171 PolarHBondContact OG1-N 3.04Å; R171-N173 VanDerWaalsContact C-N 3.29Å; R171-N173 PolarHBondContact O-N 2.96Å; R171-S174 WeakPolarHBondContact CB-OG 3.47Å; R171-S174 WeakPolarHBondContact O-CB 3.36Å; R171-S174 PolarHBondContact O-N 2.88Å; R171-S174 VanDerWaalsContact O-N 3.12Å; R171-S174 PolarHBondContact O-OG 2.88Å |
| 172 | W | 87.8 | Confident | 92.4 | Very high | 129 Ų | 129 | 69.9 Ų | 69.9 | 49% | 0.489 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -36.5 | -172.1 | -172.9 | -103.3 | 0 | 0 | 0 | 112.5 | R167 T168 T169 E170 | R167-W172 HydrophobicContact CG-CE3 3.81Å; R167-W172 HydrophobicContact CG-CZ3 4.15Å; R167-W172 PolarHBondContact NE-O 2.88Å; R167-W172 PolarHBondContact NH2-O 3.11Å; T168-W172 VanDerWaalsContact O-CA 3.28Å; T168-W172 WeakPolarHBondContact O-CA 3.38Å; T168-W172 PolarHBondContact O-N 2.88Å; T169-W172 VanDerWaalsContact O-CB 3.3Å; T169-W172 WeakPolarHBondContact O-CB 3.06Å; T169-W172 PolarHBondContact O-N 2.94Å; E170-W172 VanDerWaalsContact C-N 3.3Å; E170-W172 PolarHBondContact O-N 2.79Å |
| 173 | N | 91 | Very high | 92.7 | Very high | 52 Ų | 52 | 68.5 Ų | 68.5 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0.1 | 177.9 | -81.1 | -45.2 | 0 | 0 | 0 | 114.6 | Y161 R171 Y386 | Y161-N173 HydrophobicContact CE1-CB 4.49Å; Y161-N173 PolarHBondContact OH-OD1 2.88Å; R171-N173 VanDerWaalsContact C-N 3.29Å; R171-N173 PolarHBondContact O-N 2.96Å; N173-Y386 HydrophobicContact CB-CE2 3.96Å; N173-Y386 VanDerWaalsContact ND2-CZ 3.28Å; N173-Y386 PolarHBondContact ND2-OH 2.91Å |
| 174 | S | 94.3 | Very high | 93 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | trans | -65.9 | 138.1 | 178 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | M162 R171 | M162-S174 PolarHBondContact N-O 3.13Å; M162-S174 VanDerWaalsContact N-O 3.16Å; R171-S174 WeakPolarHBondContact CB-OG 3.47Å; R171-S174 WeakPolarHBondContact O-CB 3.36Å; R171-S174 PolarHBondContact O-N 2.88Å; R171-S174 VanDerWaalsContact O-N 3.12Å; R171-S174 PolarHBondContact O-OG 2.88Å | ||
| 175 | V | 96.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 16% | 0.164 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 157.5 | -174.8 | -69 | 0 | 0 | 0 | 0 | 111.1 | Y138 R159 S160 Y161 I224 | Y138-V175 HydrophobicContact CE1-CG1 4.1Å; R159-V175 HydrophobicContact CB-CB 4.45Å; S160-V175 CarbonylContact O-C 3.52Å; S160-V175 WeakPolarHBondContact O-CA 3.14Å; S160-V175 VanDerWaalsContact O-CB 3.26Å; S160-V175 WeakPolarHBondContact O-CB 3.23Å; Y161-V175 HydrophobicContact CD1-CG1 3.69Å; Y161-V175 HydrophobicContact CE1-CG1 3.98Å; V175-I224 HydrophobicContact CG2-CD1 3.92Å |
| 176 | V | 97.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 59.7 Ų | 59.7 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 152.1 | 172.7 | -72 | 0 | 0 | 0 | 0 | 109 | R159 S160 M162 | R159-V176 CarbonylContact C-O 3.57Å; R159-V176 WeakPolarHBondContact CA-O 3.03Å; R159-V176 WeakPolarHBondContact CB-O 3.37Å; S160-V176 PolarHBondContact N-O 3.28Å; S160-V176 PolarHBondContact O-N 3.26Å; M162-V176 HydrophobicContact SD-CG1 3.58Å; M162-V176 VanDerWaalsContact SD-CG1 3.58Å |
| 177 | D | 97.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 139.7 | 164.2 | -72.4 | -54.4 | 0 | 0 | 0 | 109.1 | G158 R159 S205 S223 I224 | G158-D177 CarbonylContact O-C 3.6Å; G158-D177 WeakPolarHBondContact O-CA 3.44Å; R159-D177 WeakPolarHBondContact CG-OD1 3.36Å; R159-D177 IonicContact NE-OD1 3.91Å; R159-D177 PolarHBondContact NE-OD1 2.93Å; D177-S205 WeakPolarHBondContact OD1-CB 3.46Å; D177-S205 PolarHBondContact OD1-N 2.92Å; D177-S205 PolarHBondContact OD1-OG 2.79Å; D177-S223 WeakPolarHBondContact OD2-CA 3.44Å; D177-I224 HydrophobicContact CB-CG2 4.3Å; D177-I224 WeakPolarHBondContact OD2-CB 3.35Å; D177-I224 VanDerWaalsContact OD2-CG2 3.3Å; D177-I224 WeakPolarHBondContact OD2-CG2 3.29Å; D177-I224 PolarHBondContact OD2-N 2.81Å |
| 178 | C | 97.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.1 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | G158 G203 | G158-C178 PolarHBondContact O-N 3.07Å; C178-G203 WeakPolarHBondContact O-CA 3.33Å |
| 179 | P | 96.6 | Very high | 93.4 | Very high | 81 Ų | 81 | 64 Ų | 64 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 139.4 | 171.8 | -27.9 | 35.4 | 0 | 0 | 0 | 111.6 | Q181 | P179-Q181 HydrophobicContact CB-CG 4.5Å; P179-Q181 PolarHBondContact O-N 2.84Å |
| 180 | P | 96.1 | Very high | 93.4 | Very high | 24 Ų | 24 | 58.8 Ų | 58.8 | 16% | 0.156 | 29% | 0.288 | C | S | . | . | trans | -77.7 | 50.5 | -171.5 | 32.9 | -37.7 | 0 | 0 | 0 | 113.3 | F156 L200 D202 | F156-P180 HydrophobicContact CE2-CB 4.08Å; F156-P180 HydrophobicContact CZ-CB 4.41Å; P180-L200 HydrophobicContact CB-CB 4.29Å; P180-L200 VanDerWaalsContact CB-O 3.29Å; P180-L200 WeakPolarHBondContact CB-O 3.44Å; P180-L200 WeakPolarHBondContact CG-O 2.93Å; P180-D202 WeakPolarHBondContact CB-O 3.45Å | ||
| 181 | Q | 97.3 | Very high | 93.5 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137.7 | 172.8 | -60.5 | -178 | -73.3 | 0 | 0 | 110.3 | P179 F183 H195 | P179-Q181 HydrophobicContact CB-CG 4.5Å; P179-Q181 PolarHBondContact O-N 2.84Å; Q181-F183 HydrophobicContact CB-CD2 4.45Å; Q181-F183 HydrophobicContact CB-CE2 3.77Å; Q181-F183 HydrophobicContact CB-CZ 4.11Å; Q181-F183 WeakPolarHBondContact O-CD2 3.44Å; Q181-H195 WeakPolarHBondContact CA-O 3.48Å |
| 182 | V | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.3 | 166.6 | 172.8 | 0 | 0 | 0 | 0 | 108 | V154 F156 L184 H195 L197 L200 L236 L247 | V154-V182 HydrophobicContact CG1-CG1 3.92Å; F156-V182 HydrophobicContact CD2-CG2 3.96Å; V182-L184 HydrophobicContact CG1-CD2 4.35Å; V182-H195 HydrophobicContact CB-CB 4.49Å; V182-H195 PolarHBondContact N-O 2.7Å; V182-H195 PolarHBondContact O-N 2.99Å; V182-L197 HydrophobicContact CG2-CD1 4.02Å; V182-L200 HydrophobicContact CG2-CD1 3.66Å; V182-L236 HydrophobicContact CG1-CD2 3.65Å; V182-L236 HydrophobicContact CG2-CD2 4.21Å; V182-L247 HydrophobicContact CG1-CD2 4.07Å |
| 183 | F | 98.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.6 | 173.1 | -62.6 | -102 | 0 | 0 | 0 | 109.3 | E132 P134 V154 M155 Q181 F185 S193 A194 | E132-F183 WeakPolarHBondContact O-CD1 3.35Å; P134-F183 HydrophobicContact CB-CD1 3.86Å; P134-F183 HydrophobicContact CB-CD2 4.2Å; P134-F183 HydrophobicContact CB-CE1 3.78Å; P134-F183 HydrophobicContact CB-CE2 4.15Å; P134-F183 HydrophobicContact CB-CG 4.07Å; P134-F183 HydrophobicContact CB-CZ 3.95Å; P134-F183 HydrophobicContact CG-CD1 4.25Å; P134-F183 HydrophobicContact CG-CG 4.43Å; V154-F183 CarbonylContact C-O 3.59Å; V154-F183 WeakPolarHBondContact CA-O 3.46Å; M155-F183 HydrophobicContact CB-CB 4.33Å; M155-F183 HydrophobicContact CE-CB 4.12Å; M155-F183 HydrophobicContact CE-CD2 3.41Å; M155-F183 VanDerWaalsContact CE-CD2 3.41Å; M155-F183 HydrophobicContact CE-CE2 4.04Å; M155-F183 HydrophobicContact CE-CG 3.86Å; M155-F183 PolarHBondContact N-O 2.64Å; M155-F183 PolarHBondContact O-N 3.37Å; Q181-F183 HydrophobicContact CB-CD2 4.45Å; Q181-F183 HydrophobicContact CB-CE2 3.77Å; Q181-F183 HydrophobicContact CB-CZ 4.11Å; Q181-F183 WeakPolarHBondContact O-CD2 3.44Å; F183-F185 HydrophobicContact CB-CD1 4.48Å; F183-F185 HydrophobicContact CB-CE1 3.73Å; F183-F185 HydrophobicContact CB-CZ 4.26Å; F183-S193 WeakPolarHBondContact CA-O 3.27Å; F183-A194 HydrophobicContact CD1-CB 3.91Å; F183-A194 HydrophobicContact CE1-CB 3.69Å; F183-A194 HydrophobicContact CZ-CB 4.28Å |
| 184 | L | 97.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.2 | 171.4 | -63.4 | -176.7 | 0 | 0 | 0 | 109.3 | C153 V154 V182 S192 S193 V238 P245 L247 | C153-L184 WeakPolarHBondContact O-CA 3.5Å; V154-L184 HydrophobicContact CB-CD2 4.34Å; V154-L184 HydrophobicContact CG1-CD2 4.49Å; V154-L184 HydrophobicContact CG2-CD2 3.76Å; V182-L184 HydrophobicContact CG1-CD2 4.35Å; L184-S192 WeakPolarHBondContact O-CA 3.19Å; L184-S193 PolarHBondContact N-O 3.39Å; L184-S193 PolarHBondContact O-N 2.93Å; L184-V238 HydrophobicContact CD1-CG1 3.77Å; L184-V238 HydrophobicContact CD2-CG1 4.07Å; L184-V238 HydrophobicContact CD2-CG2 4.21Å; L184-P245 HydrophobicContact CD1-CB 3.9Å; L184-P245 HydrophobicContact CD1-CG 3.69Å; L184-L247 HydrophobicContact CD1-CD1 3.79Å; L184-L247 HydrophobicContact CD1-CD2 4Å; L184-L247 HydrophobicContact CD1-CG 4.12Å; L184-L247 HydrophobicContact CG-CD2 4.31Å |
| 185 | F | 95.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.3 | 172.6 | -40.8 | -38.9 | 0 | 0 | 0 | 110.5 | L129 P134 M142 A152 C153 M155 F183 L187 C191 S192 | L129-F185 HydrophobicContact CD1-CD1 3.76Å; L129-F185 HydrophobicContact CD1-CD2 4.28Å; L129-F185 HydrophobicContact CD1-CE1 3.85Å; L129-F185 HydrophobicContact CD1-CE2 4.36Å; L129-F185 HydrophobicContact CD1-CG 4Å; L129-F185 HydrophobicContact CD1-CZ 4.16Å; L129-F185 HydrophobicContact CD2-CB 4.31Å; L129-F185 HydrophobicContact CD2-CG 4.45Å; P134-F185 HydrophobicContact CG-CE1 3.95Å; P134-F185 HydrophobicContact CG-CZ 3.87Å; M142-F185 HydrophobicContact SD-CE2 3.99Å; A152-F185 WeakPolarHBondContact CA-O 3.27Å; C153-F185 HydrophobicContact CB-CB 4.17Å; C153-F185 HydrophobicContact CB-CD2 3.87Å; C153-F185 HydrophobicContact CB-CG 4.42Å; C153-F185 PolarHBondContact N-O 2.82Å; C153-F185 PolarHBondContact O-N 3.37Å; M155-F185 HydrophobicContact CB-CE2 3.96Å; M155-F185 HydrophobicContact CB-CZ 3.76Å; M155-F185 HydrophobicContact CE-CZ 4.49Å; M155-F185 HydrophobicContact CG-CZ 4.33Å; M155-F185 HydrophobicContact SD-CZ 3.92Å; F183-F185 HydrophobicContact CB-CD1 4.48Å; F183-F185 HydrophobicContact CB-CE1 3.73Å; F183-F185 HydrophobicContact CB-CZ 4.26Å; F185-L187 HydrophobicContact CB-CD2 4.28Å; F185-C191 CarbonylContact C-O 3.59Å; F185-C191 WeakPolarHBondContact CA-O 3.23Å; F185-S192 WeakPolarHBondContact CD1-OG 3.42Å |
| 186 | D | 91.8 | Very high | 94.8 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 117.5 | 161 | -170.3 | -56 | 0 | 0 | 0 | 108.7 | E188 F189 G190 C191 | D186-E188 WeakPolarHBondContact OD1-CB 3.38Å; D186-E188 PolarHBondContact OD1-N 3.34Å; D186-F189 WeakPolarHBondContact OD1-CD2 3.47Å; D186-F189 PolarHBondContact OD1-N 2.79Å; D186-G190 CarbonylContact O-C 3.57Å; D186-G190 VanDerWaalsContact O-CA 3.23Å; D186-G190 WeakPolarHBondContact O-CA 3.26Å; D186-G190 PolarHBondContact O-N 3Å; D186-C191 HydrophobicContact CB-CB 4.2Å; D186-C191 PolarHBondContact N-O 2.98Å; D186-C191 PolarHBondContact O-N 2.81Å |
| 187 | L | 85.3 | Confident | 94.8 | Very high | 41 Ų | 41 | 42.6 Ų | 42.6 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -15.1 | -173.9 | -58.4 | 176.1 | 0 | 0 | 0 | 113.5 | L80 L91 K127 I144 C153 F185 | L80-L187 HydrophobicContact CD2-CD1 4.23Å; L91-L187 HydrophobicContact CD1-CD1 3.85Å; L91-L187 HydrophobicContact CD1-CD2 3.75Å; L91-L187 HydrophobicContact CD1-CG 4.47Å; K127-L187 PolarHBondContact NZ-O 3.34Å; I144-L187 HydrophobicContact CD1-CD1 4.16Å; C153-L187 HydrophobicContact CB-CD1 4.35Å; C153-L187 HydrophobicContact CB-CD2 4.16Å; C153-L187 HydrophobicContact CB-CG 4.42Å; F185-L187 HydrophobicContact CB-CD2 4.28Å |
| 188 | E | 85.6 | Confident | 94.7 | Very high | 159 Ų | 159 | 47.1 Ų | 47.1 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -50.9 | 176.4 | -175.2 | -179.4 | 172.5 | 0 | 0 | 109.7 | D186 | D186-E188 WeakPolarHBondContact OD1-CB 3.38Å; D186-E188 PolarHBondContact OD1-N 3.34Å |
| 189 | F | 86.8 | Confident | 94.7 | Very high | 135 Ų | 135 | 50.2 Ų | 50.2 | 59% | 0.592 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -5.8 | -177.4 | -57.9 | -71.7 | 0 | 0 | 0 | 114.4 | D186 C191 | D186-F189 WeakPolarHBondContact OD1-CD2 3.47Å; D186-F189 PolarHBondContact OD1-N 2.79Å; F189-C191 VanDerWaalsContact C-N 3.29Å; F189-C191 PolarHBondContact O-N 2.84Å |
| 190 | G | 90.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 24.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | L129 V130 D186 | L129-G190 CarbonylContact C-O 3.56Å; L129-G190 VanDerWaalsContact CA-O 3.29Å; L129-G190 WeakPolarHBondContact CA-O 3.37Å; V130-G190 PolarHBondContact N-O 3.08Å; D186-G190 CarbonylContact O-C 3.57Å; D186-G190 VanDerWaalsContact O-CA 3.23Å; D186-G190 WeakPolarHBondContact O-CA 3.26Å; D186-G190 PolarHBondContact O-N 3Å |
| 191 | C | 92.6 | Very high | 94.3 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.6 | -174 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | V130 F185 D186 F189 | V130-C191 CarbonylContact O-C 3.48Å; F185-C191 CarbonylContact C-O 3.59Å; F185-C191 WeakPolarHBondContact CA-O 3.23Å; D186-C191 HydrophobicContact CB-CB 4.2Å; D186-C191 PolarHBondContact N-O 2.98Å; D186-C191 PolarHBondContact O-N 2.81Å; F189-C191 VanDerWaalsContact C-N 3.29Å; F189-C191 PolarHBondContact O-N 2.84Å |
| 192 | S | 96.4 | Very high | 94 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.6 | 176.1 | -172.4 | 0 | 0 | 0 | 0 | 111 | V130 E132 L184 F185 | V130-S192 PolarHBondContact O-N 2.8Å; E132-S192 PolarHBondContact N-O 2.84Å; E132-S192 WeakPolarHBondContact O-CB 3.49Å; E132-S192 PolarHBondContact O-OG 2.83Å; L184-S192 WeakPolarHBondContact O-CA 3.19Å; F185-S192 WeakPolarHBondContact CD1-OG 3.42Å |
| 193 | S | 96.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 24% | 0.238 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.5 | 173.5 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | F183 L184 H195 | F183-S193 WeakPolarHBondContact CA-O 3.27Å; L184-S193 PolarHBondContact N-O 3.39Å; L184-S193 PolarHBondContact O-N 2.93Å; S193-H195 PolarHBondContact OG-NE2 2.79Å |
| 194 | A | 97.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E132 F183 | E132-A194 HydrophobicContact CB-CB 3.85Å; E132-A194 PolarHBondContact OE2-N 3.05Å; F183-A194 HydrophobicContact CD1-CB 3.91Å; F183-A194 HydrophobicContact CE1-CB 3.69Å; F183-A194 HydrophobicContact CZ-CB 4.28Å |
| 195 | H | 97.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.4 | -171.8 | -57.7 | -91 | 0 | 0 | 0 | 110.1 | Q181 V182 S193 L247 | Q181-H195 WeakPolarHBondContact CA-O 3.48Å; V182-H195 HydrophobicContact CB-CB 4.49Å; V182-H195 PolarHBondContact N-O 2.7Å; V182-H195 PolarHBondContact O-N 2.99Å; S193-H195 PolarHBondContact OG-NE2 2.79Å; H195-L247 HydrophobicContact CB-CD2 3.68Å |
| 196 | T | 97.3 | Very high | 93.8 | Very high | 105 Ų | 105 | 52.4 Ų | 52.4 | 64% | 0.644 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.8 | 173.1 | -54.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 197 | L | 97.5 | Very high | 94.1 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | trans | -122.8 | 133.7 | -176.4 | -61.8 | 170.8 | 0 | 0 | 0 | 109.5 | V182 E199 L200 L236 L247 C249 | V182-L197 HydrophobicContact CG2-CD1 4.02Å; L197-E199 PolarHBondContact O-N 3.13Å; L197-L200 HydrophobicContact CB-CD1 4.18Å; L197-L200 HydrophobicContact CB-CG 4.31Å; L197-L200 HydrophobicContact CD1-CD1 4.12Å; L197-L200 PolarHBondContact O-N 3.21Å; L197-L236 HydrophobicContact CD1-CD1 3.39Å; L197-L247 HydrophobicContact CD1-CB 4.49Å; L197-L247 HydrophobicContact CD1-CD2 4.46Å; L197-L247 HydrophobicContact CD2-CB 4.19Å; L197-C249 HydrophobicContact CD1-CB 4.2Å | ||
| 198 | P | 95.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 48.9 Ų | 48.9 | 73% | 0.734 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.9 | -170.2 | 26.7 | -33.6 | 0 | 0 | 0 | 114 | L200 | P198-L200 VanDerWaalsContact C-N 3.27Š|
| 199 | E | 96.5 | Very high | 95.3 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.4 | 174.3 | -56.3 | 72.7 | -156 | 0 | 0 | 112.4 | L197 S201 F234 C249 | L197-E199 PolarHBondContact O-N 3.13Å; E199-S201 PolarHBondContact O-N 3.18Å; E199-F234 WeakPolarHBondContact O-CE1 3.48Å; E199-C249 HydrophobicContact CB-CB 3.94Å; E199-C249 HydrophobicContact CG-CB 3.95Å; E199-C249 WeakPolarHBondContact OE2-CB 3.41Å |
| 200 | L | 95.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | trans | -103.3 | 68.9 | -176 | -55.3 | 179.2 | 0 | 0 | 0 | 109.6 | F156 P180 V182 L197 P198 F234 | F156-L200 HydrophobicContact CD2-CD1 4.3Å; F156-L200 HydrophobicContact CE1-CD2 4.46Å; F156-L200 HydrophobicContact CE2-CB 4.37Å; F156-L200 HydrophobicContact CE2-CD1 3.75Å; F156-L200 HydrophobicContact CE2-CG 4.46Å; F156-L200 HydrophobicContact CZ-CB 4.32Å; F156-L200 HydrophobicContact CZ-CD1 3.99Å; F156-L200 HydrophobicContact CZ-CD2 4.01Å; F156-L200 HydrophobicContact CZ-CG 4.33Å; P180-L200 HydrophobicContact CB-CB 4.29Å; P180-L200 VanDerWaalsContact CB-O 3.29Å; P180-L200 WeakPolarHBondContact CB-O 3.44Å; P180-L200 WeakPolarHBondContact CG-O 2.93Å; V182-L200 HydrophobicContact CG2-CD1 3.66Å; L197-L200 HydrophobicContact CB-CD1 4.18Å; L197-L200 HydrophobicContact CB-CG 4.31Å; L197-L200 HydrophobicContact CD1-CD1 4.12Å; L197-L200 PolarHBondContact O-N 3.21Å; P198-L200 VanDerWaalsContact C-N 3.27Å; L200-F234 HydrophobicContact CD2-CB 4.32Å; L200-F234 HydrophobicContact CD2-CD1 3.98Å; L200-F234 HydrophobicContact CD2-CD2 3.53Å; L200-F234 HydrophobicContact CD2-CE1 4.09Å; L200-F234 HydrophobicContact CD2-CE2 3.64Å; L200-F234 HydrophobicContact CD2-CG 3.7Å; L200-F234 HydrophobicContact CD2-CZ 3.92Å | ||
| 201 | S | 89.1 | Confident | 95.9 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 61% | 0.608 | 23% | 0.227 | S | C | * | . | trans | -70.7 | -36.5 | -173.6 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | E199 | E199-S201 PolarHBondContact O-N 3.18Š| ||
| 202 | D | 90.5 | Very high | 96 | Very high | 71 Ų | 71 | 36 Ų | 36 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -121.3 | 145.6 | -169.9 | -40.6 | -35.5 | 0 | 0 | 0 | 111.3 | P180 R232 | P180-D202 WeakPolarHBondContact CB-O 3.45Å; D202-R232 IonicContact OD2-CZ 2.69Å; D202-R232 IonicContact OD2-NH2 3.18Å; D202-R232 PolarHBondContact OD2-NH2 2.94Å |
| 203 | G | 93.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | trans | -57.5 | 150 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | C178 | C178-G203 WeakPolarHBondContact O-CA 3.33Š| ||
| 204 | Q | 96.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -154.8 | 148.6 | 173.2 | 59.1 | 175.2 | 53.8 | 0 | 0 | 113 | F156 G157 G158 G220 H222 | F156-Q204 HydrophobicContact CE1-CG 3.81Å; F156-Q204 HydrophobicContact CZ-CG 4.15Å; G157-Q204 CarbonylContact C-O 3.55Å; G157-Q204 VanDerWaalsContact CA-O 3.26Å; G157-Q204 WeakPolarHBondContact CA-O 3.41Å; G158-Q204 PolarHBondContact N-O 2.94Å; Q204-G220 PolarHBondContact NE2-O 2.67Å; Q204-G220 VanDerWaalsContact NE2-O 3.12Å; Q204-H222 WeakPolarHBondContact CA-O 3.37Å | ||
| 205 | S | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -130.8 | 161.7 | -179.6 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | G139 R159 D177 H207 G221 H222 | G139-S205 CarbonylContact O-C 3.54Å; G139-S205 WeakPolarHBondContact O-CA 3.44Å; R159-S205 PolarHBondContact NE-OG 3.07Å; R159-S205 PolarHBondContact NH2-OG 2.91Å; R159-S205 VanDerWaalsContact NH2-OG 3.15Å; D177-S205 WeakPolarHBondContact OD1-CB 3.46Å; D177-S205 PolarHBondContact OD1-N 2.92Å; D177-S205 PolarHBondContact OD1-OG 2.79Å; S205-H207 PolarHBondContact O-N 2.78Å; S205-H207 VanDerWaalsContact O-N 3.1Å; S205-G221 CarbonylContact O-C 3.01Å; S205-G221 WeakPolarHBondContact O-CA 3.33Å; S205-H222 PolarHBondContact N-O 2.94Å; S205-H222 PolarHBondContact O-N 2.96Å; S205-H222 PolarHBondContact OG-O 2.56Å |
| 206 | F | 98.4 | Very high | 95.7 | Very high | 48 Ų | 48 | 37.4 Ų | 37.4 | 21% | 0.211 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 55.8 | 27.6 | 178.3 | -49.3 | -77.6 | 0 | 0 | 0 | 114.5 | C74 Y138 G139 S259 S260 | C74-F206 HydrophobicContact CB-CE1 4.2Å; Y138-F206 HydrophobicContact CD2-CZ 4.14Å; Y138-F206 AromaticContact CE2-CZ 3.86Å; Y138-F206 HydrophobicContact CE2-CZ 3.86Å; G139-F206 PolarHBondContact O-N 2.86Å; F206-S259 WeakPolarHBondContact O-CA 3.49Å; F206-S260 WeakPolarHBondContact CB-OG 3.41Å; F206-S260 PolarHBondContact O-N 2.57Å |
| 207 | H | 98.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 7% | 0.069 | 19% | 0.186 | C | C | . | . | trans | -77.7 | 156.1 | 169.2 | 58.7 | -95.9 | 0 | 0 | 0 | 110.4 | A141 F156 S205 F218 G220 | A141-H207 WeakPolarHBondContact CB-NE2 3.47Å; F156-H207 AromaticContact CD1-CE1 3.74Å; F156-H207 AromaticContact CD1-NE2 3.74Å; F156-H207 PolarHBondContact O-CE1 3.35Å; S205-H207 PolarHBondContact O-N 2.78Å; S205-H207 VanDerWaalsContact O-N 3.1Å; H207-F218 AromaticContact CD2-CD1 3.78Å; H207-F218 AromaticContact NE2-CD1 3.75Å; H207-G220 WeakPolarHBondContact CB-O 3.49Å | ||
| 208 | V | 98.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 142 | 169.5 | 163.5 | 0 | 0 | 0 | 0 | 109 | I210 F218 I219 I258 A261 V263 | V208-I210 HydrophobicContact CG1-CD1 3.93Å; V208-I210 HydrophobicContact CG1-CG1 3.67Å; V208-F218 CarbonylContact O-C 3.6Å; V208-F218 WeakPolarHBondContact O-CA 3.14Å; V208-I219 HydrophobicContact CB-CB 4.19Å; V208-I219 HydrophobicContact CB-CG1 4.5Å; V208-I219 HydrophobicContact CG1-CB 4.44Å; V208-I219 HydrophobicContact CG1-CD1 4.17Å; V208-I219 HydrophobicContact CG1-CG1 4.24Å; V208-I219 PolarHBondContact N-O 2.82Å; V208-I219 PolarHBondContact O-N 2.82Å; V208-I258 HydrophobicContact CG2-CD1 4.44Å; V208-A261 HydrophobicContact CG2-CB 4.07Å; V208-V263 HydrophobicContact CB-CG2 4.39Å; V208-V263 HydrophobicContact CG1-CG2 3.82Å; V208-V263 HydrophobicContact CG2-CG2 3.68Å |
| 209 | A | 97.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 26.6 Ų | 26.6 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A141 V216 Y217 F218 | A141-A209 HydrophobicContact CB-CB 3.52Å; A209-V216 HydrophobicContact CB-CG1 4.3Å; A209-Y217 WeakPolarHBondContact CA-O 3.38Å; A209-F218 HydrophobicContact CB-CD1 3.79Å; A209-F218 HydrophobicContact CB-CE1 3.92Å |
| 210 | I | 96.1 | Very high | 96 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 131.1 | 177.5 | -48.9 | -178.8 | 0 | 0 | 0 | 108.2 | V208 Y217 I219 V263 Y272 V274 V291 L293 | V208-I210 HydrophobicContact CG1-CD1 3.93Å; V208-I210 HydrophobicContact CG1-CG1 3.67Å; I210-Y217 PolarHBondContact N-O 2.88Å; I210-Y217 PolarHBondContact O-N 2.88Å; I210-I219 HydrophobicContact CD1-CD1 4.14Å; I210-V263 HydrophobicContact CD1-CG1 4.3Å; I210-Y272 HydrophobicContact CD1-CD2 4.35Å; I210-Y272 HydrophobicContact CD1-CG 4.18Å; I210-Y272 HydrophobicContact CG2-CD1 4.06Å; I210-Y272 HydrophobicContact CG2-CD2 3.53Å; I210-Y272 HydrophobicContact CG2-CE1 3.81Å; I210-Y272 HydrophobicContact CG2-CE2 3.24Å; I210-Y272 HydrophobicContact CG2-CG 3.93Å; I210-Y272 VanDerWaalsContact CG2-CZ 3.4Å; I210-V274 HydrophobicContact CD1-CG2 4.44Å; I210-V291 HydrophobicContact CD1-CB 4.33Å; I210-V291 HydrophobicContact CD1-CG1 4.07Å; I210-L293 HydrophobicContact CB-CD1 4.32Å; I210-L293 HydrophobicContact CG2-CD1 3.67Å; I210-L293 HydrophobicContact CG2-CG 4.4Å |
| 211 | A | 94.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 23.1 Ų | 23.1 | 16% | 0.157 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I144 S215 V216 H270 | I144-A211 WeakPolarHBondContact O-CB 3.32Å; A211-S215 VanDerWaalsContact CA-O 3.29Å; A211-S215 WeakPolarHBondContact CA-O 3.34Å; A211-V216 HydrophobicContact CB-CG2 4.05Å; A211-H270 PolarHBondContact O-ND1 3.37Å |
| 212 | R | 93.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 19.2 Ų | 19.2 | 16% | 0.162 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 125 | 171 | 177.8 | 177.6 | -178.2 | -61.4 | -29.3 | 107.7 | D214 S215 L293 D294 | R212-D214 PolarHBondContact O-N 2.95Å; R212-S215 PolarHBondContact N-O 2.96Å; R212-S215 PolarHBondContact O-N 3.28Å; R212-L293 HydrophobicContact CB-CB 3.96Å; R212-L293 HydrophobicContact CB-CD1 3.72Å; R212-L293 WeakPolarHBondContact CD-O 3.25Å; R212-L293 HydrophobicContact CG-CB 4.39Å; R212-D294 PolarHBondContact NH1-O 3.43Å |
| 213 | E | 93.2 | Very high | 96.8 | Very high | 109 Ų | 109 | 16 Ų | 16 | 51% | 0.509 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -118.7 | 178.8 | -62.3 | 167.3 | 170 | 0 | 0 | 112.1 | V145 Q146 S215 | V145-E213 CarbonylContact C-O 3.56Å; V145-E213 WeakPolarHBondContact CA-O 3.45Å; Q146-E213 PolarHBondContact N-O 3.03Å; Q146-E213 CarbonylContact O-C 3.5Å; E213-S215 VanDerWaalsContact C-N 3.32Å; E213-S215 PolarHBondContact O-N 3.24Å |
| 214 | D | 95.5 | Very high | 96.9 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 12% | 0.118 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.3 | -177.1 | 70.1 | 13.2 | 0 | 0 | 0 | 114.4 | Q146 R212 R237 V238 | Q146-D214 PolarHBondContact O-N 2.96Å; R212-D214 PolarHBondContact O-N 2.95Å; D214-R237 WeakPolarHBondContact O-CA 3.44Å; D214-R237 WeakPolarHBondContact OD1-CG 3.35Å; D214-R237 IonicContact OD1-NE 2.66Å; D214-R237 PolarHBondContact OD1-NE 3.04Å; D214-R237 IonicContact OD2-CZ 3.46Å; D214-R237 IonicContact OD2-NE 3.82Å; D214-R237 PolarHBondContact OD2-NE 2.85Å; D214-R237 IonicContact OD2-NH2 3.84Å; D214-R237 PolarHBondContact OD2-NH2 3.18Å; D214-V238 PolarHBondContact O-N 2.92Å |
| 215 | S | 96.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.6 | -166.1 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | A211 R212 E213 R235 L236 | A211-S215 VanDerWaalsContact CA-O 3.29Å; A211-S215 WeakPolarHBondContact CA-O 3.34Å; R212-S215 PolarHBondContact N-O 2.96Å; R212-S215 PolarHBondContact O-N 3.28Å; E213-S215 VanDerWaalsContact C-N 3.32Å; E213-S215 PolarHBondContact O-N 3.24Å; S215-R235 PolarHBondContact OG-NE 3.06Å; S215-R235 VanDerWaalsContact OG-NE 3.08Å; S215-R235 PolarHBondContact OG-NH2 2.86Å; S215-L236 CarbonylContact C-O 3.46Å; S215-L236 VanDerWaalsContact CA-O 3.31Å; S215-L236 WeakPolarHBondContact CA-O 3.39Å |
| 216 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.3 | 171.8 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | V145 V154 A209 A211 F218 R235 L236 | V145-V216 HydrophobicContact CG1-CG2 3.35Å; V154-V216 HydrophobicContact CB-CG2 4.1Å; V154-V216 HydrophobicContact CG1-CG2 4.31Å; V154-V216 HydrophobicContact CG2-CG2 3.8Å; A209-V216 HydrophobicContact CB-CG1 4.3Å; A211-V216 HydrophobicContact CB-CG2 4.05Å; V216-F218 HydrophobicContact CB-CZ 4.31Å; V216-F218 HydrophobicContact CG1-CD1 4.24Å; V216-F218 HydrophobicContact CG1-CE1 3.72Å; V216-F218 HydrophobicContact CG1-CE2 4.38Å; V216-F218 HydrophobicContact CG1-CZ 3.8Å; V216-R235 CarbonylContact O-C 3.56Å; V216-R235 WeakPolarHBondContact O-CA 3.05Å; V216-L236 PolarHBondContact N-O 2.97Å; V216-L236 PolarHBondContact O-N 3.06Å |
| 217 | Y | 98.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.4 | 176.3 | -62.4 | -89.2 | 0 | 0 | 0 | 110 | A209 I210 L233 F234 R235 L252 L293 G297 I298 | A209-Y217 WeakPolarHBondContact CA-O 3.38Å; I210-Y217 PolarHBondContact N-O 2.88Å; I210-Y217 PolarHBondContact O-N 2.88Å; Y217-L233 HydrophobicContact CD1-CD1 4.49Å; Y217-F234 CarbonylContact C-O 3.56Å; Y217-F234 VanDerWaalsContact CA-O 3.31Å; Y217-F234 WeakPolarHBondContact CA-O 3.38Å; Y217-R235 HydrophobicContact CD1-CB 3.7Å; Y217-R235 HydrophobicContact CD1-CG 3.95Å; Y217-R235 HydrophobicContact CE1-CB 3.55Å; Y217-R235 HydrophobicContact CE1-CG 3.47Å; Y217-R235 VanDerWaalsContact CE1-CG 3.47Å; Y217-R235 HydrophobicContact CE2-CG 4.42Å; Y217-R235 PolarHBondContact OH-NE 3.08Å; Y217-L252 HydrophobicContact CE1-CD1 4.39Å; Y217-L293 HydrophobicContact CD2-CD1 3.77Å; Y217-L293 HydrophobicContact CD2-CD2 3.62Å; Y217-L293 HydrophobicContact CD2-CG 4.34Å; Y217-L293 HydrophobicContact CE2-CD1 4.05Å; Y217-L293 HydrophobicContact CE2-CD2 3.79Å; Y217-L293 HydrophobicContact CE2-CG 4.44Å; Y217-L293 HydrophobicContact CG-CD2 4.17Å; Y217-G297 WeakPolarHBondContact OH-CA 3.44Å; Y217-I298 HydrophobicContact CD1-CB 3.72Å; Y217-I298 HydrophobicContact CD1-CD1 4.13Å; Y217-I298 HydrophobicContact CD1-CG2 3.5Å; Y217-I298 VanDerWaalsContact CD1-CG2 3.5Å; Y217-I298 HydrophobicContact CE1-CB 3.66Å; Y217-I298 HydrophobicContact CE1-CG2 3.44Å; Y217-I298 VanDerWaalsContact CE1-CG2 3.44Å; Y217-I298 HydrophobicContact CG-CB 4.22Å; Y217-I298 HydrophobicContact CG-CD1 4.13Å; Y217-I298 HydrophobicContact CG-CG2 4.43Å |
| 218 | F | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.6 | 173.4 | -57.4 | -65.3 | 0 | 0 | 0 | 109.6 | V154 F156 H207 V208 A209 V216 L233 F234 L236 | V154-F218 HydrophobicContact CG1-CZ 4.06Å; F156-F218 HydrophobicContact CB-CE1 3.76Å; F156-F218 HydrophobicContact CB-CE2 4.18Å; F156-F218 HydrophobicContact CB-CZ 3.56Å; F156-F218 HydrophobicContact CD1-CD1 4.02Å; F156-F218 HydrophobicContact CD1-CD2 4.01Å; F156-F218 HydrophobicContact CD1-CE1 4.08Å; F156-F218 HydrophobicContact CD1-CE2 4.06Å; F156-F218 AromaticContact CD1-CG 3.98Å; F156-F218 HydrophobicContact CD1-CG 3.98Å; F156-F218 HydrophobicContact CD1-CZ 4.11Å; F156-F218 HydrophobicContact CE1-CD2 4.49Å; F156-F218 HydrophobicContact CG-CE1 4.35Å; F156-F218 HydrophobicContact CG-CE2 4.24Å; F156-F218 HydrophobicContact CG-CZ 4.1Å; H207-F218 AromaticContact CD2-CD1 3.78Å; H207-F218 AromaticContact NE2-CD1 3.75Å; V208-F218 CarbonylContact O-C 3.6Å; V208-F218 WeakPolarHBondContact O-CA 3.14Å; A209-F218 HydrophobicContact CB-CD1 3.79Å; A209-F218 HydrophobicContact CB-CE1 3.92Å; V216-F218 HydrophobicContact CB-CZ 4.31Å; V216-F218 HydrophobicContact CG1-CD1 4.24Å; V216-F218 HydrophobicContact CG1-CE1 3.72Å; V216-F218 HydrophobicContact CG1-CE2 4.38Å; V216-F218 HydrophobicContact CG1-CZ 3.8Å; F218-L233 WeakPolarHBondContact O-CA 3.05Å; F218-F234 HydrophobicContact CB-CB 4.38Å; F218-F234 HydrophobicContact CB-CD2 4.47Å; F218-F234 HydrophobicContact CD2-CB 4.41Å; F218-F234 PolarHBondContact N-O 2.46Å; F218-F234 PolarHBondContact O-N 3.48Å; F218-L236 HydrophobicContact CE2-CB 3.89Å; F218-L236 HydrophobicContact CE2-CD2 4.24Å |
| 219 | I | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.4 | -172.5 | -33.7 | -176.7 | 0 | 0 | 0 | 110.3 | V208 I210 L233 L256 I258 V291 I298 | V208-I219 HydrophobicContact CB-CB 4.19Å; V208-I219 HydrophobicContact CB-CG1 4.5Å; V208-I219 HydrophobicContact CG1-CB 4.44Å; V208-I219 HydrophobicContact CG1-CD1 4.17Å; V208-I219 HydrophobicContact CG1-CG1 4.24Å; V208-I219 PolarHBondContact N-O 2.82Å; V208-I219 PolarHBondContact O-N 2.82Å; I210-I219 HydrophobicContact CD1-CD1 4.14Å; I219-L233 HydrophobicContact CB-CD1 4.47Å; I219-L233 HydrophobicContact CG1-CD1 3.89Å; I219-L233 HydrophobicContact CG2-CD1 4.41Å; I219-L256 HydrophobicContact CG2-CB 4.04Å; I219-L256 HydrophobicContact CG2-CD1 4.26Å; I219-L256 HydrophobicContact CG2-CG 4.21Å; I219-I258 HydrophobicContact CG2-CD1 4.45Å; I219-V291 HydrophobicContact CD1-CG1 4.45Å; I219-I298 HydrophobicContact CD1-CD1 3.89Å |
| 220 | G | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | 61.6 | -139.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q204 H207 R232 L256 | Q204-G220 PolarHBondContact NE2-O 2.67Å; Q204-G220 VanDerWaalsContact NE2-O 3.12Å; H207-G220 WeakPolarHBondContact CB-O 3.49Å; G220-R232 PolarHBondContact N-O 2.84Å; G220-L256 VanDerWaalsContact CA-O 3.27Å; G220-L256 WeakPolarHBondContact CA-O 3.49Å | ||
| 221 | G | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | trans | 118 | 166.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S205 R229 I258 | S205-G221 CarbonylContact O-C 3.01Å; S205-G221 WeakPolarHBondContact O-CA 3.33Å; G221-R229 WeakPolarHBondContact O-CA 3.32Å; G221-I258 PolarHBondContact N-O 3.49Å | ||
| 222 | H | 98 | Very high | 95.8 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -109.7 | 137.8 | 166.7 | -171.7 | -88.9 | 0 | 0 | 0 | 109.7 | R159 Q204 S205 I224 D227 S228 R229 | R159-H222 PolarHBondContact NH2-CE1 2.93Å; R159-H222 PolarHBondContact NH2-ND1 3.45Å; Q204-H222 WeakPolarHBondContact CA-O 3.37Å; S205-H222 PolarHBondContact N-O 2.94Å; S205-H222 PolarHBondContact O-N 2.96Å; S205-H222 PolarHBondContact OG-O 2.56Å; H222-I224 WeakPolarHBondContact CE1-CA 3.4Å; H222-I224 PolarHBondContact CE1-N 2.81Å; H222-I224 VanDerWaalsContact NE2-CA 3.28Å; H222-I224 WeakPolarHBondContact NE2-CA 3.27Å; H222-D227 WeakPolarHBondContact NE2-CA 3.28Å; H222-D227 IonicContact NE2-OD1 2.68Å; H222-D227 PolarHBondContact NE2-OD1 2.86Å; H222-S228 WeakPolarHBondContact CA-O 3.35Å; H222-R229 HydrophobicContact CB-CG 4.4Å; H222-R229 VanDerWaalsContact CD2-CZ 3.44Å; H222-R229 PolarHBondContact CD2-NH1 3.38Å |
| 223 | S | 96.6 | Very high | 96 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -106.6 | 116.1 | 166.6 | 161.5 | 0 | 0 | 0 | 0 | 108.5 | D177 T225 S226 D227 S228 | D177-S223 WeakPolarHBondContact OD2-CA 3.44Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-S226 VanDerWaalsContact CB-OG 3.25Å; S223-S226 WeakPolarHBondContact CB-OG 3.37Å; S223-S226 PolarHBondContact OG-N 3.07Å; S223-S226 PolarHBondContact OG-OG 3.16Å; S223-D227 WeakPolarHBondContact O-CA 3.47Å; S223-D227 PolarHBondContact O-N 3.18Å; S223-S228 PolarHBondContact N-O 3.48Å; S223-S228 PolarHBondContact O-N 3.34Å; S223-S228 VanDerWaalsContact O-N 3.16Å |
| 224 | I | 95 | Very high | 96.3 | Very high | 51 Ų | 51 | 30 Ų | 30 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -28.3 | -179.8 | -155.6 | 179.3 | 0 | 0 | 0 | 112.2 | V175 D177 H222 S226 | V175-I224 HydrophobicContact CG2-CD1 3.92Å; D177-I224 HydrophobicContact CB-CG2 4.3Å; D177-I224 WeakPolarHBondContact OD2-CB 3.35Å; D177-I224 VanDerWaalsContact OD2-CG2 3.3Å; D177-I224 WeakPolarHBondContact OD2-CG2 3.29Å; D177-I224 PolarHBondContact OD2-N 2.81Å; H222-I224 WeakPolarHBondContact CE1-CA 3.4Å; H222-I224 PolarHBondContact CE1-N 2.81Å; H222-I224 VanDerWaalsContact NE2-CA 3.28Å; H222-I224 WeakPolarHBondContact NE2-CA 3.27Å; I224-S226 VanDerWaalsContact C-N 3.28Å; I224-S226 PolarHBondContact O-N 3.19Å |
| 225 | T | 91.8 | Very high | 96.4 | Very high | 129 Ų | 129 | 31.5 Ų | 31.5 | 79% | 0.791 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25.6 | 179.5 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | S223 | S223-T225 VanDerWaalsContact C-N 3.33Š|
| 226 | S | 92.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 31.4 Ų | 31.4 | 45% | 0.448 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 8.5 | -179.6 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | S223 I224 S228 | S223-S226 VanDerWaalsContact CB-OG 3.25Å; S223-S226 WeakPolarHBondContact CB-OG 3.37Å; S223-S226 PolarHBondContact OG-N 3.07Å; S223-S226 PolarHBondContact OG-OG 3.16Å; I224-S226 VanDerWaalsContact C-N 3.28Å; I224-S226 PolarHBondContact O-N 3.19Å; S226-S228 VanDerWaalsContact C-N 3.29Å; S226-S228 WeakPolarHBondContact O-CB 3.31Å; S226-S228 PolarHBondContact O-N 3.21Å; S226-S228 PolarHBondContact O-OG 2.91Å; S226-S228 PolarHBondContact OG-OG 3.19Å |
| 227 | D | 94.3 | Very high | 96.5 | Very high | 106 Ų | 106 | 35.4 Ų | 35.4 | 57% | 0.567 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 32.5 | 55.9 | -170.3 | -162.9 | 40.7 | 0 | 0 | 0 | 114.4 | H222 S223 | H222-D227 WeakPolarHBondContact NE2-CA 3.28Å; H222-D227 IonicContact NE2-OD1 2.68Å; H222-D227 PolarHBondContact NE2-OD1 2.86Å; S223-D227 WeakPolarHBondContact O-CA 3.47Å; S223-D227 PolarHBondContact O-N 3.18Å |
| 228 | S | 95 | Very high | 96.4 | Very high | 42 Ų | 42 | 35.1 Ų | 35.1 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -147.9 | 156.1 | -169.1 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | H222 S223 S226 P230 | H222-S228 WeakPolarHBondContact CA-O 3.35Å; S223-S228 PolarHBondContact N-O 3.48Å; S223-S228 PolarHBondContact O-N 3.34Å; S223-S228 VanDerWaalsContact O-N 3.16Å; S226-S228 VanDerWaalsContact C-N 3.29Å; S226-S228 WeakPolarHBondContact O-CB 3.31Å; S226-S228 PolarHBondContact O-N 3.21Å; S226-S228 PolarHBondContact O-OG 2.91Å; S226-S228 PolarHBondContact OG-OG 3.19Å; S228-P230 VanDerWaalsContact O-CD 3.22Å; S228-P230 WeakPolarHBondContact O-CD 3.32Å |
| 229 | R | 96.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 11% | 0.106 | 20% | 0.199 | C | C | . | . | trans | -114.7 | 68.7 | 177.8 | -63.6 | 173.9 | -176.1 | 71.2 | -1.9 | 109.9 | G221 H222 S257 S259 Y278 Q279 D281 | G221-R229 WeakPolarHBondContact O-CA 3.32Å; H222-R229 HydrophobicContact CB-CG 4.4Å; H222-R229 VanDerWaalsContact CD2-CZ 3.44Å; H222-R229 PolarHBondContact CD2-NH1 3.38Å; R229-S257 WeakPolarHBondContact O-CB 3.42Å; R229-S257 PolarHBondContact O-OG 2.89Å; R229-S259 PolarHBondContact NE-OG 2.74Å; R229-Y278 VanDerWaalsContact CD-O 3.26Å; R229-Y278 WeakPolarHBondContact CD-O 3.26Å; R229-Q279 WeakPolarHBondContact CD-O 3.41Å; R229-D281 IonicContact CZ-OD1 2.69Å; R229-D281 IonicContact NH1-OD1 2.65Å; R229-D281 PolarHBondContact NH1-OD1 2.81Å; R229-D281 IonicContact NH2-OD1 2.68Å; R229-D281 PolarHBondContact NH2-OD1 2.86Å; R229-D281 IonicContact NH2-OD2 3.15Å | ||
| 230 | P | 94.2 | Very high | 96.2 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 21% | 0.214 | 20% | 0.203 | C | C | . | . | trans | -58.3 | 145.2 | 179.6 | 26.7 | -35.1 | 0 | 0 | 0 | 110.2 | S228 R232 | S228-P230 VanDerWaalsContact O-CD 3.22Å; S228-P230 WeakPolarHBondContact O-CD 3.32Å; P230-R232 HydrophobicContact CB-CG 4.09Å; P230-R232 HydrophobicContact CG-CG 3.93Å; P230-R232 PolarHBondContact O-N 2.82Å | ||
| 231 | P | 95.9 | Very high | 95.9 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 53% | 0.526 | 22% | 0.217 | S | C | . | . | trans | -75.5 | 54.6 | -178.5 | 32.8 | -36.8 | 0 | 0 | 0 | 112 | G255 | P231-G255 CarbonylContact O-C 3.56Å; P231-G255 VanDerWaalsContact O-CA 3.26Å; P231-G255 WeakPolarHBondContact O-CA 3.4Å | ||
| 232 | R | 95.1 | Very high | 95.3 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 14% | 0.143 | 26% | 0.26 | C | S | . | . | trans | -67.9 | 138.7 | -178.2 | -70.2 | 172.5 | 177.6 | 173.6 | 1.6 | 110.2 | D202 G220 P230 F234 | D202-R232 IonicContact OD2-CZ 2.69Å; D202-R232 IonicContact OD2-NH2 3.18Å; D202-R232 PolarHBondContact OD2-NH2 2.94Å; G220-R232 PolarHBondContact N-O 2.84Å; P230-R232 HydrophobicContact CB-CG 4.09Å; P230-R232 HydrophobicContact CG-CG 3.93Å; P230-R232 PolarHBondContact O-N 2.82Å; R232-F234 HydrophobicContact CB-CD2 4.47Å; R232-F234 HydrophobicContact CB-CE2 4.04Å; R232-F234 HydrophobicContact CB-CZ 4.33Å; R232-F234 HydrophobicContact CG-CE2 4.14Å; R232-F234 HydrophobicContact CG-CZ 4.09Å | ||
| 233 | L | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 112.3 | 160.7 | 172.5 | 61.2 | 0 | 0 | 0 | 107.2 | Y217 F218 I219 L252 F254 G255 I298 I300 | Y217-L233 HydrophobicContact CD1-CD1 4.49Å; F218-L233 WeakPolarHBondContact O-CA 3.05Å; I219-L233 HydrophobicContact CB-CD1 4.47Å; I219-L233 HydrophobicContact CG1-CD1 3.89Å; I219-L233 HydrophobicContact CG2-CD1 4.41Å; L233-L252 HydrophobicContact CB-CB 4.28Å; L233-L252 HydrophobicContact CD2-CB 3.81Å; L233-L252 HydrophobicContact CD2-CD1 4Å; L233-L252 HydrophobicContact CG-CB 3.88Å; L233-L252 HydrophobicContact CG-CD1 4.07Å; L233-L252 HydrophobicContact CG-CG 4.43Å; L233-L252 PolarHBondContact O-N 3.07Å; L233-F254 HydrophobicContact CD2-CD2 3.87Å; L233-F254 HydrophobicContact CD2-CE2 3.65Å; L233-F254 HydrophobicContact CD2-CG 4.46Å; L233-F254 HydrophobicContact CD2-CZ 4.07Å; L233-G255 VanDerWaalsContact CB-CA 3.49Å; L233-I298 HydrophobicContact CD1-CD1 3.92Å; L233-I298 HydrophobicContact CD2-CD1 4.43Å; L233-I298 HydrophobicContact CD2-CG2 3.93Å; L233-I300 HydrophobicContact CD2-CD1 4.1Å |
| 234 | F | 98 | Very high | 94.3 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.057 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.8 | 174.5 | -57.2 | -62.9 | 0 | 0 | 0 | 108.8 | E199 L200 Y217 F218 R232 E250 T251 | E199-F234 WeakPolarHBondContact O-CE1 3.48Å; L200-F234 HydrophobicContact CD2-CB 4.32Å; L200-F234 HydrophobicContact CD2-CD1 3.98Å; L200-F234 HydrophobicContact CD2-CD2 3.53Å; L200-F234 HydrophobicContact CD2-CE1 4.09Å; L200-F234 HydrophobicContact CD2-CE2 3.64Å; L200-F234 HydrophobicContact CD2-CG 3.7Å; L200-F234 HydrophobicContact CD2-CZ 3.92Å; Y217-F234 CarbonylContact C-O 3.56Å; Y217-F234 VanDerWaalsContact CA-O 3.31Å; Y217-F234 WeakPolarHBondContact CA-O 3.38Å; F218-F234 HydrophobicContact CB-CB 4.38Å; F218-F234 HydrophobicContact CB-CD2 4.47Å; F218-F234 HydrophobicContact CD2-CB 4.41Å; F218-F234 PolarHBondContact N-O 2.46Å; F218-F234 PolarHBondContact O-N 3.48Å; R232-F234 HydrophobicContact CB-CD2 4.47Å; R232-F234 HydrophobicContact CB-CE2 4.04Å; R232-F234 HydrophobicContact CB-CZ 4.33Å; R232-F234 HydrophobicContact CG-CE2 4.14Å; R232-F234 HydrophobicContact CG-CZ 4.09Å; F234-E250 CarbonylContact C-O 3.51Å; F234-E250 WeakPolarHBondContact CA-O 3.27Å; F234-T251 HydrophobicContact CD1-CG2 4.28Å; F234-T251 HydrophobicContact CE1-CG2 4.16Å |
| 235 | R | 98.2 | Very high | 94.2 | Very high | 53 Ų | 53 | 56.1 Ų | 56.1 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.1 | 161.2 | 177.7 | -156 | -172.3 | 171.2 | 3.4 | 108.4 | S215 V216 Y217 C249 E250 L252 | S215-R235 PolarHBondContact OG-NE 3.06Å; S215-R235 VanDerWaalsContact OG-NE 3.08Å; S215-R235 PolarHBondContact OG-NH2 2.86Å; V216-R235 CarbonylContact O-C 3.56Å; V216-R235 WeakPolarHBondContact O-CA 3.05Å; Y217-R235 HydrophobicContact CD1-CB 3.7Å; Y217-R235 HydrophobicContact CD1-CG 3.95Å; Y217-R235 HydrophobicContact CE1-CB 3.55Å; Y217-R235 HydrophobicContact CE1-CG 3.47Å; Y217-R235 VanDerWaalsContact CE1-CG 3.47Å; Y217-R235 HydrophobicContact CE2-CG 4.42Å; Y217-R235 PolarHBondContact OH-NE 3.08Å; R235-C249 CarbonylContact O-C 3.55Å; R235-C249 WeakPolarHBondContact O-CA 3.43Å; R235-E250 HydrophobicContact CB-CG 3.77Å; R235-E250 WeakPolarHBondContact CD-OE1 3.25Å; R235-E250 HydrophobicContact CG-CG 4.45Å; R235-E250 IonicContact CZ-OE1 2.64Å; R235-E250 PolarHBondContact N-O 2.88Å; R235-E250 IonicContact NE-OE1 2.87Å; R235-E250 IonicContact NH1-OE1 2.76Å; R235-E250 PolarHBondContact NH1-OE1 3.05Å; R235-E250 PolarHBondContact O-N 3.17Å; R235-L252 HydrophobicContact CB-CD1 4.48Å |
| 236 | L | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 131.8 | 162.4 | 177.1 | 72.6 | 0 | 0 | 0 | 109 | V154 V182 L197 S215 V216 F218 V238 L247 | V154-L236 HydrophobicContact CG1-CD2 3.54Å; V154-L236 HydrophobicContact CG2-CD2 4.43Å; V182-L236 HydrophobicContact CG1-CD2 3.65Å; V182-L236 HydrophobicContact CG2-CD2 4.21Å; L197-L236 HydrophobicContact CD1-CD1 3.39Å; S215-L236 CarbonylContact C-O 3.46Å; S215-L236 VanDerWaalsContact CA-O 3.31Å; S215-L236 WeakPolarHBondContact CA-O 3.39Å; V216-L236 PolarHBondContact N-O 2.97Å; V216-L236 PolarHBondContact O-N 3.06Å; F218-L236 HydrophobicContact CE2-CB 3.89Å; F218-L236 HydrophobicContact CE2-CD2 4.24Å; L236-V238 HydrophobicContact CD2-CG2 3.76Å; L236-V238 HydrophobicContact CG-CG2 3.86Å; L236-L247 HydrophobicContact CD1-CB 4.35Å; L236-L247 HydrophobicContact CD1-CD2 4.28Å |
| 237 | R | 97.9 | Very high | 94.7 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 32% | 0.317 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.2 | 168.4 | -168.1 | 174.4 | -174.9 | -121.6 | -9.9 | 110 | D214 E239 L247 S248 | D214-R237 WeakPolarHBondContact O-CA 3.44Å; D214-R237 WeakPolarHBondContact OD1-CG 3.35Å; D214-R237 IonicContact OD1-NE 2.66Å; D214-R237 PolarHBondContact OD1-NE 3.04Å; D214-R237 IonicContact OD2-CZ 3.46Å; D214-R237 IonicContact OD2-NE 3.82Å; D214-R237 PolarHBondContact OD2-NE 2.85Å; D214-R237 IonicContact OD2-NH2 3.84Å; D214-R237 PolarHBondContact OD2-NH2 3.18Å; R237-E239 IonicContact CZ-OE1 3.2Å; R237-E239 IonicContact NH1-OE1 2.67Å; R237-E239 PolarHBondContact NH1-OE1 2.96Å; R237-E239 IonicContact NH2-OE1 2.89Å; R237-L247 WeakPolarHBondContact O-CA 3.48Å; R237-S248 PolarHBondContact N-O 2.85Å; R237-S248 PolarHBondContact O-N 2.83Å; R237-S248 VanDerWaalsContact O-N 3.07Å |
| 238 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 106.5 | -173.9 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | V145 S147 V154 L184 D214 L236 L240 L247 | V145-V238 HydrophobicContact CG2-CB 4.11Å; V145-V238 HydrophobicContact CG2-CG1 4.22Å; S147-V238 WeakPolarHBondContact CB-O 3.48Å; S147-V238 PolarHBondContact OG-O 3.09Å; V154-V238 HydrophobicContact CG2-CG2 4.14Å; L184-V238 HydrophobicContact CD1-CG1 3.77Å; L184-V238 HydrophobicContact CD2-CG1 4.07Å; L184-V238 HydrophobicContact CD2-CG2 4.21Å; D214-V238 PolarHBondContact O-N 2.92Å; L236-V238 HydrophobicContact CD2-CG2 3.76Å; L236-V238 HydrophobicContact CG-CG2 3.86Å; V238-L240 HydrophobicContact CG1-CD2 3.84Å; V238-L240 HydrophobicContact CG1-CG 4.38Å; V238-L247 HydrophobicContact CG2-CG 4.49Å |
| 239 | E | 96.9 | Very high | 95 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 112.6 | 174.3 | -67.1 | -159.3 | -139.1 | 0 | 0 | 111.4 | S147 R148 R237 L241 P245 L246 | S147-E239 WeakPolarHBondContact OG-CA 3.38Å; R148-E239 IonicContact CZ-OE2 2.64Å; R148-E239 IonicContact NE-OE2 3.9Å; R148-E239 PolarHBondContact NE-OE2 2.92Å; R148-E239 IonicContact NH2-OE2 3.57Å; R148-E239 PolarHBondContact NH2-OE2 2.87Å; R237-E239 IonicContact CZ-OE1 3.2Å; R237-E239 IonicContact NH1-OE1 2.67Å; R237-E239 PolarHBondContact NH1-OE1 2.96Å; R237-E239 IonicContact NH2-OE1 2.89Å; E239-L241 HydrophobicContact CB-CD2 4.19Å; E239-L241 PolarHBondContact O-N 2.96Å; E239-P245 WeakPolarHBondContact O-CA 3.18Å; E239-L246 HydrophobicContact CB-CB 4.27Å; E239-L246 PolarHBondContact N-O 3.16Å; E239-L246 PolarHBondContact O-N 3.28Å |
| 240 | L | 94.6 | Very high | 95.1 | Very high | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | trans | -85.2 | 75.5 | -176.1 | -60.6 | 175.2 | 0 | 0 | 0 | 111.1 | S147 K150 A152 V238 P245 | S147-L240 PolarHBondContact OG-N 2.85Å; K150-L240 HydrophobicContact CB-CB 3.98Å; K150-L240 HydrophobicContact CB-CD1 3.76Å; K150-L240 HydrophobicContact CD-CB 4Å; A152-L240 HydrophobicContact CB-CD1 3.82Å; A152-L240 HydrophobicContact CB-CD2 3.9Å; V238-L240 HydrophobicContact CG1-CD2 3.84Å; V238-L240 HydrophobicContact CG1-CG 4.38Å; L240-P245 HydrophobicContact CD2-CB 4.25Å | ||
| 241 | L | 91.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 54 Ų | 54 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | trans | -68 | -178.3 | -179.1 | -52 | -177.3 | 0 | 0 | 0 | 112.9 | K150 E239 L246 | K150-L241 PolarHBondContact NZ-O 2.97Å; E239-L241 HydrophobicContact CB-CD2 4.19Å; E239-L241 PolarHBondContact O-N 2.96Å; L241-L246 HydrophobicContact CD1-CB 3.99Å; L241-L246 HydrophobicContact CG-CB 4.48Å | ||
| 242 | Q | 85 | Confident | 95.3 | Very high | 195 Ų | 195 | 51.8 Ų | 51.8 | 91% | 0.911 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -90.8 | 115 | 166.2 | -173.7 | 175.2 | 8.4 | 0 | 0 | 108.7 | ||
| 243 | G | 85 | Confident | 95.2 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 75% | 0.753 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 105.7 | -135.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 244 | S | 87.7 | Confident | 95.1 | Very high | 92 Ų | 92 | 63 Ų | 63 | 64% | 0.643 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -71.1 | 141.4 | 176.9 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 245 | P | 94.3 | Very high | 95 | Very high | 37 Ų | 37 | 63 Ų | 63 | 24% | 0.24 | 35% | 0.349 | C | S | . | . | trans | -65.1 | 153.9 | 166.1 | 30.8 | -34.7 | 0 | 0 | 0 | 110.6 | L184 E239 L240 L247 | L184-P245 HydrophobicContact CD1-CB 3.9Å; L184-P245 HydrophobicContact CD1-CG 3.69Å; E239-P245 WeakPolarHBondContact O-CA 3.18Å; L240-P245 HydrophobicContact CD2-CB 4.25Å; P245-L247 HydrophobicContact CB-CD1 4.06Å; P245-L247 HydrophobicContact CG-CD1 4.01Å | ||
| 246 | L | 96.7 | Very high | 94.8 | Very high | 97 Ų | 97 | 61.7 Ų | 61.7 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.7 | 169.4 | 171.9 | 65.3 | 0 | 0 | 0 | 108.6 | E239 L241 | E239-L246 HydrophobicContact CB-CB 4.27Å; E239-L246 PolarHBondContact N-O 3.16Å; E239-L246 PolarHBondContact O-N 3.28Å; L241-L246 HydrophobicContact CD1-CB 3.99Å; L241-L246 HydrophobicContact CG-CB 4.48Å |
| 247 | L | 97.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.3 | 178.2 | -64.5 | 78.4 | 0 | 0 | 0 | 109.6 | V182 L184 H195 L197 L236 R237 V238 P245 | V182-L247 HydrophobicContact CG1-CD2 4.07Å; L184-L247 HydrophobicContact CD1-CD1 3.79Å; L184-L247 HydrophobicContact CD1-CD2 4Å; L184-L247 HydrophobicContact CD1-CG 4.12Å; L184-L247 HydrophobicContact CG-CD2 4.31Å; H195-L247 HydrophobicContact CB-CD2 3.68Å; L197-L247 HydrophobicContact CD1-CB 4.49Å; L197-L247 HydrophobicContact CD1-CD2 4.46Å; L197-L247 HydrophobicContact CD2-CB 4.19Å; L236-L247 HydrophobicContact CD1-CB 4.35Å; L236-L247 HydrophobicContact CD1-CD2 4.28Å; R237-L247 WeakPolarHBondContact O-CA 3.48Å; V238-L247 HydrophobicContact CG2-CG 4.49Å; P245-L247 HydrophobicContact CB-CD1 4.06Å; P245-L247 HydrophobicContact CG-CD1 4.01Å |
| 248 | S | 97.6 | Very high | 94.7 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 136.3 | 168.9 | 59.5 | 0 | 0 | 0 | 0 | 109.6 | R237 | R237-S248 PolarHBondContact N-O 2.85Å; R237-S248 PolarHBondContact O-N 2.83Å; R237-S248 VanDerWaalsContact O-N 3.07Å |
| 249 | C | 98.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 143.2 | 173.2 | -161.6 | 0 | 0 | 0 | 0 | 109.9 | L197 E199 R235 | L197-C249 HydrophobicContact CD1-CB 4.2Å; E199-C249 HydrophobicContact CB-CB 3.94Å; E199-C249 HydrophobicContact CG-CB 3.95Å; E199-C249 WeakPolarHBondContact OE2-CB 3.41Å; R235-C249 CarbonylContact O-C 3.55Å; R235-C249 WeakPolarHBondContact O-CA 3.43Å |
| 250 | E | 97.2 | Very high | 94.7 | Very high | 83 Ų | 83 | 61 Ų | 61 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.4 | 166.4 | 61.5 | -176 | -171.3 | 0 | 0 | 110.2 | F234 R235 L252 | F234-E250 CarbonylContact C-O 3.51Å; F234-E250 WeakPolarHBondContact CA-O 3.27Å; R235-E250 HydrophobicContact CB-CG 3.77Å; R235-E250 WeakPolarHBondContact CD-OE1 3.25Å; R235-E250 HydrophobicContact CG-CG 4.45Å; R235-E250 IonicContact CZ-OE1 2.64Å; R235-E250 PolarHBondContact N-O 2.88Å; R235-E250 IonicContact NE-OE1 2.87Å; R235-E250 IonicContact NH1-OE1 2.76Å; R235-E250 PolarHBondContact NH1-OE1 3.05Å; R235-E250 PolarHBondContact O-N 3.17Å; E250-L252 HydrophobicContact CG-CD2 4.24Å |
| 251 | T | 97.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 47% | 0.466 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.3 | 172.4 | -54.9 | 0 | 0 | 0 | 0 | 109 | F234 | F234-T251 HydrophobicContact CD1-CG2 4.28Å; F234-T251 HydrophobicContact CE1-CG2 4.16Å |
| 252 | L | 97.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | trans | -120.5 | 126.7 | -178 | -56.3 | 177.3 | 0 | 0 | 0 | 109.9 | Y217 L233 R235 E250 F254 I298 | Y217-L252 HydrophobicContact CE1-CD1 4.39Å; L233-L252 HydrophobicContact CB-CB 4.28Å; L233-L252 HydrophobicContact CD2-CB 3.81Å; L233-L252 HydrophobicContact CD2-CD1 4Å; L233-L252 HydrophobicContact CG-CB 3.88Å; L233-L252 HydrophobicContact CG-CD1 4.07Å; L233-L252 HydrophobicContact CG-CG 4.43Å; L233-L252 PolarHBondContact O-N 3.07Å; R235-L252 HydrophobicContact CB-CD1 4.48Å; E250-L252 HydrophobicContact CG-CD2 4.24Å; L252-F254 HydrophobicContact CB-CD1 4.27Å; L252-F254 HydrophobicContact CB-CE1 3.86Å; L252-F254 HydrophobicContact CB-CZ 4.28Å; L252-F254 HydrophobicContact CD1-CE1 4.46Å; L252-F254 HydrophobicContact CD1-CZ 4.2Å; L252-F254 PolarHBondContact O-N 3.01Å; L252-I298 HydrophobicContact CD1-CG2 3.71Å | ||
| 253 | D | 94.5 | Very high | 95.7 | Very high | 166 Ų | 166 | 52 Ų | 52 | 89% | 0.888 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 5.7 | -165.3 | -57.8 | -44.7 | 0 | 0 | 0 | 115.7 | ||
| 254 | F | 95.4 | Very high | 96.1 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 47% | 0.469 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 31.1 | -174.1 | 59.2 | -88.4 | 0 | 0 | 0 | 113.4 | L233 L252 I298 I300 | L233-F254 HydrophobicContact CD2-CD2 3.87Å; L233-F254 HydrophobicContact CD2-CE2 3.65Å; L233-F254 HydrophobicContact CD2-CG 4.46Å; L233-F254 HydrophobicContact CD2-CZ 4.07Å; L252-F254 HydrophobicContact CB-CD1 4.27Å; L252-F254 HydrophobicContact CB-CE1 3.86Å; L252-F254 HydrophobicContact CB-CZ 4.28Å; L252-F254 HydrophobicContact CD1-CE1 4.46Å; L252-F254 HydrophobicContact CD1-CZ 4.2Å; L252-F254 PolarHBondContact O-N 3.01Å; F254-I298 HydrophobicContact CE2-CG2 4.11Å; F254-I298 HydrophobicContact CZ-CG2 4.07Å; F254-I300 HydrophobicContact CD2-CD1 4.49Å |
| 255 | G | 94.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 47 Ų | 47 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | trans | -71.6 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P231 L233 | P231-G255 CarbonylContact O-C 3.56Å; P231-G255 VanDerWaalsContact O-CA 3.26Å; P231-G255 WeakPolarHBondContact O-CA 3.4Å; L233-G255 VanDerWaalsContact CB-CA 3.49Å | ||
| 256 | L | 95.8 | Very high | 95.9 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | trans | -111.7 | 131 | -175.1 | -61.7 | 177 | 0 | 0 | 0 | 111.2 | I219 G220 I258 N289 I300 | I219-L256 HydrophobicContact CG2-CB 4.04Å; I219-L256 HydrophobicContact CG2-CD1 4.26Å; I219-L256 HydrophobicContact CG2-CG 4.21Å; G220-L256 VanDerWaalsContact CA-O 3.27Å; G220-L256 WeakPolarHBondContact CA-O 3.49Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 HydrophobicContact CB-CD1 3.87Å; L256-I258 HydrophobicContact CB-CG1 3.91Å; L256-I258 HydrophobicContact CB-CG2 4.15Å; L256-I258 HydrophobicContact CD1-CD1 4.03Å; L256-I258 PolarHBondContact O-N 3.02Å; L256-N289 WeakPolarHBondContact CD1-OD1 3.36Å; L256-I300 HydrophobicContact CD1-CD1 4.49Å; L256-I300 HydrophobicContact CD1-CG2 4.09Å; L256-I300 HydrophobicContact CD2-CG2 4.24Å; L256-I300 HydrophobicContact CG-CD1 4.35Å; L256-I300 HydrophobicContact CG-CG2 4.38Å | ||
| 257 | S | 96.1 | Very high | 95.1 | Very high | 49 Ų | 49 | 42.6 Ų | 42.6 | 34% | 0.343 | 25% | 0.245 | S | C | . | . | trans | -77.5 | 83.8 | 171.2 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | R229 | R229-S257 WeakPolarHBondContact O-CB 3.42Å; R229-S257 PolarHBondContact O-OG 2.89Å | ||
| 258 | I | 97.2 | Very high | 94 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | trans | -142.1 | 146.6 | -175 | 58.5 | 178.3 | 0 | 0 | 0 | 112.1 | V208 I219 G221 L256 A261 V274 Y278 | V208-I258 HydrophobicContact CG2-CD1 4.44Å; I219-I258 HydrophobicContact CG2-CD1 4.45Å; G221-I258 PolarHBondContact N-O 3.49Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 HydrophobicContact CB-CD1 3.87Å; L256-I258 HydrophobicContact CB-CG1 3.91Å; L256-I258 HydrophobicContact CB-CG2 4.15Å; L256-I258 HydrophobicContact CD1-CD1 4.03Å; L256-I258 PolarHBondContact O-N 3.02Å; I258-A261 HydrophobicContact CD1-CB 4.04Å; I258-V274 HydrophobicContact CD1-CG1 3.88Å; I258-Y278 WeakPolarHBondContact CA-O 3.35Å | ||
| 259 | S | 98.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -132.7 | 153.7 | 158.7 | 79.3 | 0 | 0 | 0 | 0 | 111.4 | F206 R229 A261 G277 Y278 | F206-S259 WeakPolarHBondContact O-CA 3.49Å; R229-S259 PolarHBondContact NE-OG 2.74Å; S259-A261 PolarHBondContact O-N 2.91Å; S259-G277 CarbonylContact O-C 3.52Å; S259-G277 VanDerWaalsContact O-CA 3.28Å; S259-G277 WeakPolarHBondContact O-CA 3.43Å; S259-Y278 PolarHBondContact N-O 2.92Å; S259-Y278 PolarHBondContact O-N 2.79Å |
| 260 | S | 97.6 | Very high | 92.8 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 56.2 | 30.3 | 175.3 | -43.7 | 0 | 0 | 0 | 0 | 114.3 | F206 | F206-S260 WeakPolarHBondContact CB-OG 3.41Å; F206-S260 PolarHBondContact O-N 2.57Å |
| 261 | A | 97.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | trans | -70.8 | 148.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V208 I258 S259 V274 G276 | V208-A261 HydrophobicContact CG2-CB 4.07Å; I258-A261 HydrophobicContact CD1-CB 4.04Å; S259-A261 PolarHBondContact O-N 2.91Å; A261-V274 HydrophobicContact CB-CG1 3.76Å; A261-G276 WeakPolarHBondContact CB-O 3.44Å | ||
| 262 | L | 96.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.12 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.5 | -180 | -53.6 | -176.7 | 0 | 0 | 0 | 109.4 | L275 G320 I328 L330 | L262-L275 HydrophobicContact CB-CB 4.33Å; L262-L275 PolarHBondContact N-O 2.83Å; L262-L275 PolarHBondContact O-N 3.38Å; L262-G320 WeakPolarHBondContact CD2-O 3.48Å; L262-I328 HydrophobicContact CB-CD1 4.02Å; L262-I328 HydrophobicContact CB-CG2 4.3Å; L262-I328 HydrophobicContact CD1-CG2 3.69Å; L262-L330 HydrophobicContact CD1-CD1 3.77Å |
| 263 | V | 95.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.2 | -176.2 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | V208 I210 Y272 I273 V274 S322 | V208-V263 HydrophobicContact CB-CG2 4.39Å; V208-V263 HydrophobicContact CG1-CG2 3.82Å; V208-V263 HydrophobicContact CG2-CG2 3.68Å; I210-V263 HydrophobicContact CD1-CG1 4.3Å; V263-Y272 HydrophobicContact CG1-CD1 4.46Å; V263-I273 WeakPolarHBondContact CA-O 3.25Å; V263-V274 HydrophobicContact CG2-CG2 4.32Å; V263-S322 WeakPolarHBondContact O-CB 3.38Å |
| 264 | T | 94.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.6 | 171.3 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | Y272 I273 S322 C327 I328 F351 | T264-Y272 CarbonylContact O-C 3.59Å; T264-Y272 VanDerWaalsContact O-CA 3.25Å; T264-Y272 WeakPolarHBondContact O-CA 3.22Å; T264-I273 HydrophobicContact CG2-CB 4.16Å; T264-I273 PolarHBondContact N-O 3.11Å; T264-I273 VanDerWaalsContact N-O 3.08Å; T264-I273 PolarHBondContact O-N 3.04Å; T264-S322 PolarHBondContact OG1-OG 2.97Å; T264-S322 VanDerWaalsContact OG1-OG 3.08Å; T264-C327 PolarHBondContact OG1-O 3.24Å; T264-C327 VanDerWaalsContact OG1-O 3.06Å; T264-I328 HydrophobicContact CG2-CD1 3.87Å; T264-I328 HydrophobicContact CG2-CG1 3.84Å; T264-F351 HydrophobicContact CG2-CD2 4.36Å |
| 265 | R | 90.7 | Very high | 92.6 | Very high | 59 Ų | 59 | 32 Ų | 32 | 22% | 0.223 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.2 | 178.9 | -171.5 | -176.9 | -178.8 | 171.3 | -2 | 109 | D81 P268 G269 Y272 G326 | D81-R265 IonicContact OD1-NH1 2.83Å; D81-R265 IonicContact OD2-CZ 2.82Å; D81-R265 IonicContact OD2-NH1 3.31Å; D81-R265 PolarHBondContact OD2-NH1 3.04Å; R265-P268 PolarHBondContact NH2-O 3.42Å; R265-G269 PolarHBondContact NE-O 2.94Å; R265-G269 VanDerWaalsContact NE-O 3.11Å; R265-Y272 HydrophobicContact CB-CD1 3.87Å; R265-Y272 HydrophobicContact CB-CE1 3.98Å; R265-Y272 HydrophobicContact CG-CD1 3.99Å; R265-Y272 HydrophobicContact CG-CE1 3.78Å; R265-G326 PolarHBondContact O-N 3.41Å; R265-G326 VanDerWaalsContact O-N 3.1Å |
| 266 | T | 87.1 | Confident | 92.6 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 13% | 0.129 | 19% | 0.188 | C | C | . | . | trans | -100.4 | 87.8 | -178.9 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | K271 I273 | T266-K271 PolarHBondContact N-O 3.17Å; T266-K271 VanDerWaalsContact OG1-CG 3.3Å; T266-K271 WeakPolarHBondContact OG1-CG 3.28Å; T266-K271 PolarHBondContact OG1-O 3.26Å; T266-K271 VanDerWaalsContact OG1-O 3.08Å; T266-I273 HydrophobicContact CG2-CD1 3.56Å; T266-I273 HydrophobicContact CG2-CG1 3.95Å | ||
| 267 | G | 78.8 | Confident | 92.6 | Very high | 20 Ų | 20 | 30.2 Ų | 30.2 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 83 | -169.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G269 | G267-G269 PolarHBondContact O-N 2.84Š|
| 268 | P | 74.8 | Confident | 92.7 | Very high | 124 Ų | 124 | 29.6 Ų | 29.6 | 81% | 0.805 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -74.1 | -23.7 | -172.1 | 28.8 | -35.1 | 0 | 0 | 0 | 113.7 | R265 | R265-P268 PolarHBondContact NH2-O 3.42Š|
| 269 | G | 80.3 | Confident | 92.5 | Very high | 39 Ų | 39 | 31.9 Ų | 31.9 | 40% | 0.402 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -63.9 | 166.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | R265 G267 K271 | R265-G269 PolarHBondContact NE-O 2.94Å; R265-G269 VanDerWaalsContact NE-O 3.11Å; G267-G269 PolarHBondContact O-N 2.84Å; G269-K271 PolarHBondContact O-N 2.64Å |
| 270 | H | 90.1 | Very high | 92.3 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 26% | 0.259 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -80.7 | 49 | 169.3 | -68 | -88.9 | 0 | 0 | 0 | 111 | A211 Y272 L293 | A211-H270 PolarHBondContact O-ND1 3.37Å; H270-Y272 HydrophobicContact CB-CE2 3.82Å; H270-Y272 PolarHBondContact ND1-OH 2.93Å; H270-Y272 WeakPolarHBondContact O-CD2 3.45Å; H270-Y272 WeakPolarHBondContact O-CE2 3.44Å; H270-L293 HydrophobicContact CB-CB 3.88Å; H270-L293 WeakPolarHBondContact CB-O 3.35Å; H270-L293 PolarHBondContact O-N 3.12Å |
| 271 | K | 93.8 | Very high | 91.9 | Very high | 90 Ų | 90 | 35.5 Ų | 35.5 | 39% | 0.391 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.5 | 173.3 | -171.3 | 179.6 | -174.3 | 177.3 | 0 | 108 | T266 G269 T290 I292 | T266-K271 PolarHBondContact N-O 3.17Å; T266-K271 VanDerWaalsContact OG1-CG 3.3Å; T266-K271 WeakPolarHBondContact OG1-CG 3.28Å; T266-K271 PolarHBondContact OG1-O 3.26Å; T266-K271 VanDerWaalsContact OG1-O 3.08Å; G269-K271 PolarHBondContact O-N 2.64Å; K271-T290 HydrophobicContact CD-CG2 4.29Å; K271-T290 VanDerWaalsContact CE-CG2 3.42Å; K271-T290 HydrophobicContact CG-CG2 3.89Å; K271-I292 HydrophobicContact CG-CG1 4.33Å |
| 272 | Y | 95.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157.1 | -176.6 | -52.5 | -94.8 | 0 | 0 | 0 | 109.5 | I210 V263 T264 R265 H270 T290 V291 L293 | I210-Y272 HydrophobicContact CD1-CD2 4.35Å; I210-Y272 HydrophobicContact CD1-CG 4.18Å; I210-Y272 HydrophobicContact CG2-CD1 4.06Å; I210-Y272 HydrophobicContact CG2-CD2 3.53Å; I210-Y272 HydrophobicContact CG2-CE1 3.81Å; I210-Y272 HydrophobicContact CG2-CE2 3.24Å; I210-Y272 HydrophobicContact CG2-CG 3.93Å; I210-Y272 VanDerWaalsContact CG2-CZ 3.4Å; V263-Y272 HydrophobicContact CG1-CD1 4.46Å; T264-Y272 CarbonylContact O-C 3.59Å; T264-Y272 VanDerWaalsContact O-CA 3.25Å; T264-Y272 WeakPolarHBondContact O-CA 3.22Å; R265-Y272 HydrophobicContact CB-CD1 3.87Å; R265-Y272 HydrophobicContact CB-CE1 3.98Å; R265-Y272 HydrophobicContact CG-CD1 3.99Å; R265-Y272 HydrophobicContact CG-CE1 3.78Å; H270-Y272 HydrophobicContact CB-CE2 3.82Å; H270-Y272 PolarHBondContact ND1-OH 2.93Å; H270-Y272 WeakPolarHBondContact O-CD2 3.45Å; H270-Y272 WeakPolarHBondContact O-CE2 3.44Å; Y272-T290 WeakPolarHBondContact O-CA 3.43Å; Y272-V291 PolarHBondContact N-O 2.95Å; Y272-V291 PolarHBondContact O-N 3.17Å; Y272-L293 HydrophobicContact CE2-CD1 4.24Å; Y272-L293 HydrophobicContact CE2-CG 4.3Å |
| 273 | I | 96.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.4 | 170.5 | -68.4 | 176.3 | 0 | 0 | 0 | 108.2 | V263 T264 T266 N289 L303 F351 | V263-I273 WeakPolarHBondContact CA-O 3.25Å; T264-I273 HydrophobicContact CG2-CB 4.16Å; T264-I273 PolarHBondContact N-O 3.11Å; T264-I273 VanDerWaalsContact N-O 3.08Å; T264-I273 PolarHBondContact O-N 3.04Å; T266-I273 HydrophobicContact CG2-CD1 3.56Å; T266-I273 HydrophobicContact CG2-CG1 3.95Å; I273-N289 CarbonylContact C-O 3.47Å; I273-N289 VanDerWaalsContact CA-O 3.3Å; I273-N289 WeakPolarHBondContact CA-O 3.5Å; I273-L303 HydrophobicContact CD1-CD2 3.69Å; I273-L303 HydrophobicContact CG1-CD2 4.01Å; I273-L303 HydrophobicContact CG2-CD2 3.98Å; I273-F351 HydrophobicContact CD1-CB 3.36Å; I273-F351 HydrophobicContact CD1-CD1 3.55Å; I273-F351 HydrophobicContact CD1-CD2 4.3Å; I273-F351 HydrophobicContact CD1-CE1 4.44Å; I273-F351 HydrophobicContact CD1-CG 3.47Å; I273-F351 VanDerWaalsContact CD1-CG 3.47Å; I273-F351 HydrophobicContact CG2-CD1 4Å; I273-F351 HydrophobicContact CG2-CD2 4.32Å; I273-F351 HydrophobicContact CG2-CE1 3.86Å; I273-F351 HydrophobicContact CG2-CE2 4.19Å; I273-F351 HydrophobicContact CG2-CG 4.25Å; I273-F351 HydrophobicContact CG2-CZ 3.97Å |
| 274 | V | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 106.7 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | I210 I258 A261 V263 N289 V291 | I210-V274 HydrophobicContact CD1-CG2 4.44Å; I258-V274 HydrophobicContact CD1-CG1 3.88Å; A261-V274 HydrophobicContact CB-CG1 3.76Å; V263-V274 HydrophobicContact CG2-CG2 4.32Å; V274-N289 HydrophobicContact CB-CB 4.47Å; V274-N289 PolarHBondContact N-O 3.01Å; V274-N289 PolarHBondContact O-N 2.9Å; V274-V291 HydrophobicContact CG2-CG2 3.65Å |
| 275 | L | 95.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.5 | -177 | 179.7 | 61.2 | 0 | 0 | 0 | 110.6 | L262 G277 C288 W308 I328 V349 F351 | L262-L275 HydrophobicContact CB-CB 4.33Å; L262-L275 PolarHBondContact N-O 2.83Å; L262-L275 PolarHBondContact O-N 3.38Å; L275-G277 PolarHBondContact O-N 2.92Å; L275-C288 WeakPolarHBondContact CD1-SG 3.38Å; L275-W308 HydrophobicContact CD1-CH2 3.78Å; L275-W308 HydrophobicContact CD1-CZ2 3.8Å; L275-W308 HydrophobicContact CD2-CH2 4.29Å; L275-W308 HydrophobicContact CG-CH2 4.37Å; L275-I328 HydrophobicContact CB-CD1 3.65Å; L275-I328 HydrophobicContact CD2-CB 4.28Å; L275-I328 HydrophobicContact CD2-CD1 3.66Å; L275-I328 HydrophobicContact CD2-CG2 4.04Å; L275-I328 HydrophobicContact CG-CD1 4.3Å; L275-V349 HydrophobicContact CD2-CB 4.45Å; L275-V349 HydrophobicContact CD2-CG1 4.41Å; L275-V349 HydrophobicContact CD2-CG2 4.19Å; L275-F351 HydrophobicContact CD1-CZ 4.03Å; L275-F351 HydrophobicContact CD2-CE2 4.21Å; L275-F351 HydrophobicContact CD2-CZ 4.12Å; L275-F351 HydrophobicContact CG-CZ 4.49Å |
| 276 | G | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | 60.7 | -125.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A261 R285 E287 | A261-G276 WeakPolarHBondContact CB-O 3.44Å; G276-R285 WeakPolarHBondContact CA-O 3.4Å; G276-E287 PolarHBondContact N-O 2.87Å; G276-E287 VanDerWaalsContact N-O 3.13Å | ||
| 277 | G | 96.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | 87.7 | -146.6 | -164.8 | 0 | 0 | 0 | 0 | 0 | 112 | S259 L275 R285 W318 | S259-G277 CarbonylContact O-C 3.52Å; S259-G277 VanDerWaalsContact O-CA 3.28Å; S259-G277 WeakPolarHBondContact O-CA 3.43Å; L275-G277 PolarHBondContact O-N 2.92Å; G277-R285 PolarHBondContact O-N 2.92Å; G277-W318 PolarHBondContact O-NE1 3.28Å | ||
| 278 | Y | 97.6 | Very high | 92.7 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -130.4 | 139.1 | -178.1 | -60.1 | -96.7 | 0 | 0 | 0 | 110.9 | R229 I258 S259 K284 T317 W318 | R229-Y278 VanDerWaalsContact CD-O 3.26Å; R229-Y278 WeakPolarHBondContact CD-O 3.26Å; I258-Y278 WeakPolarHBondContact CA-O 3.35Å; S259-Y278 PolarHBondContact N-O 2.92Å; S259-Y278 PolarHBondContact O-N 2.79Å; Y278-K284 HydrophobicContact CD1-CG 4.39Å; Y278-K284 HydrophobicContact CE1-CG 4.12Å; Y278-T317 WeakPolarHBondContact OH-CB 3.42Å; Y278-W318 AromaticContact CE2-CD1 3.93Å; Y278-W318 AromaticContact CZ-CD1 3.71Å; Y278-W318 PolarHBondContact OH-N 3.32Å; Y278-W318 PolarHBondContact OH-O 3.41Å |
| 279 | Q | 94.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 38.8 Ų | 38.8 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -94.7 | -33.2 | 171.7 | -86.5 | 160.5 | -17.9 | 0 | 0 | 111.2 | R229 Q283 R285 E287 | R229-Q279 WeakPolarHBondContact CD-O 3.41Å; Q279-Q283 HydrophobicContact CB-CG 4.48Å; Q279-Q283 PolarHBondContact N-O 2.67Å; Q279-R285 HydrophobicContact CG-CB 4.01Å; Q279-R285 HydrophobicContact CG-CG 4.23Å; Q279-E287 PolarHBondContact NE2-OE1 2.85Å |
| 280 | S | 92.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 37.4 Ų | 37.4 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -146.1 | 176.2 | 170.9 | 77 | 0 | 0 | 0 | 0 | 110.3 | S282 Q283 | S280-S282 PolarHBondContact O-N 2.44Å; S280-S282 PolarHBondContact OG-N 2.79Å; S280-S282 PolarHBondContact OG-OG 2.93Å; S280-S282 VanDerWaalsContact OG-OG 3.12Å; S280-Q283 PolarHBondContact N-O 3.44Å; S280-Q283 PolarHBondContact O-N 3.26Å; S280-Q283 WeakPolarHBondContact OG-CB 3.49Å; S280-Q283 PolarHBondContact OG-N 3.49Å |
| 281 | D | 89.9 | Confident | 94.8 | Very high | 95 Ų | 95 | 34.8 Ų | 34.8 | 51% | 0.508 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -69.8 | -12.5 | 176.4 | -80.1 | 57 | 0 | 0 | 0 | 113.9 | R229 | R229-D281 IonicContact CZ-OD1 2.69Å; R229-D281 IonicContact NH1-OD1 2.65Å; R229-D281 PolarHBondContact NH1-OD1 2.81Å; R229-D281 IonicContact NH2-OD1 2.68Å; R229-D281 PolarHBondContact NH2-OD1 2.86Å; R229-D281 IonicContact NH2-OD2 3.15Å |
| 282 | S | 89.8 | Confident | 94.9 | Very high | 107 Ų | 107 | 32.8 Ų | 32.8 | 75% | 0.748 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -107 | -12 | 171.8 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | S280 | S280-S282 PolarHBondContact O-N 2.44Å; S280-S282 PolarHBondContact OG-N 2.79Å; S280-S282 PolarHBondContact OG-OG 2.93Å; S280-S282 VanDerWaalsContact OG-OG 3.12Å |
| 283 | Q | 93.4 | Very high | 94.9 | Very high | 106 Ų | 106 | 31.9 Ų | 31.9 | 50% | 0.495 | 17% | 0.169 | S | C | . | . | trans | -126.9 | 107.5 | -169.9 | -169.1 | 172.4 | 3.2 | 0 | 0 | 112.9 | Q279 S280 | Q279-Q283 HydrophobicContact CB-CG 4.48Å; Q279-Q283 PolarHBondContact N-O 2.67Å; S280-Q283 PolarHBondContact N-O 3.44Å; S280-Q283 PolarHBondContact O-N 3.26Å; S280-Q283 WeakPolarHBondContact OG-CB 3.49Å; S280-Q283 PolarHBondContact OG-N 3.49Å | ||
| 284 | K | 96.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 8% | 0.078 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -62.2 | 142.4 | 162.8 | -51.5 | -164.9 | -48.2 | -66.1 | 0 | 109.8 | Y278 M286 I312 I313 S315 W318 | Y278-K284 HydrophobicContact CD1-CG 4.39Å; Y278-K284 HydrophobicContact CE1-CG 4.12Å; K284-M286 HydrophobicContact CB-SD 4.08Å; K284-I312 WeakPolarHBondContact CE-O 3.4Å; K284-I312 PolarHBondContact NZ-O 2.75Å; K284-I313 PolarHBondContact NZ-O 2.64Å; K284-S315 WeakPolarHBondContact CD-O 3.4Å; K284-S315 WeakPolarHBondContact CE-O 3.48Å; K284-S315 PolarHBondContact NZ-O 3.1Å; K284-W318 HydrophobicContact CB-CZ2 4.28Å; K284-W318 HydrophobicContact CD-CB 4.43Å; K284-W318 HydrophobicContact CD-CD2 4Å; K284-W318 HydrophobicContact CD-CG 3.92Å |
| 285 | R | 95.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | trans | -84.4 | 115.1 | 173.6 | 178.8 | 167.6 | -176 | -116.4 | -0.5 | 110.3 | G276 G277 Q279 E287 N289 W318 | G276-R285 WeakPolarHBondContact CA-O 3.4Å; G277-R285 PolarHBondContact O-N 2.92Å; Q279-R285 HydrophobicContact CG-CB 4.01Å; Q279-R285 HydrophobicContact CG-CG 4.23Å; R285-E287 VanDerWaalsContact C-N 3.34Å; R285-E287 HydrophobicContact CG-CB 4.06Å; R285-E287 IonicContact CZ-OE2 3.93Å; R285-E287 IonicContact NE-OE2 3.83Å; R285-E287 PolarHBondContact NE-OE2 2.84Å; R285-E287 IonicContact NH2-OE2 3.88Å; R285-E287 PolarHBondContact NH2-OE2 2.88Å; R285-E287 PolarHBondContact O-N 2.84Å; R285-N289 VanDerWaalsContact CZ-OD1 3.28Å; R285-N289 PolarHBondContact NH1-OD1 3.4Å; R285-N289 PolarHBondContact NH2-OD1 3.3Å; R285-W318 VanDerWaalsContact O-CH2 3.23Å; R285-W318 WeakPolarHBondContact O-CH2 3.3Å; R285-W318 WeakPolarHBondContact O-CZ2 3.31Å | ||
| 286 | M | 95.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | trans | -87.5 | -1.7 | -177.5 | -52.7 | -54.5 | -65.1 | 0 | 0 | 114.4 | K284 P305 W308 I312 I313 W318 | K284-M286 HydrophobicContact CB-SD 4.08Å; M286-P305 WeakPolarHBondContact O-CB 3.44Å; M286-W308 HydrophobicContact CE-CB 4.17Å; M286-W308 HydrophobicContact CE-CD2 4.11Å; M286-W308 HydrophobicContact CE-CG 3.68Å; M286-W308 PolarHBondContact O-NE1 2.87Å; M286-I312 HydrophobicContact CE-CG2 4.21Å; M286-I313 HydrophobicContact CE-CG1 4.33Å; M286-W318 HydrophobicContact CE-CZ3 4.44Å; M286-W318 HydrophobicContact SD-CH2 4.25Å | ||
| 287 | E | 92.6 | Very high | 94.1 | Very high | 75 Ų | 75 | 50.5 Ų | 50.5 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | trans | -85.7 | 161.7 | -176.2 | -63.1 | 156 | -147.3 | 0 | 0 | 113.8 | G276 Q279 R285 | G276-E287 PolarHBondContact N-O 2.87Å; G276-E287 VanDerWaalsContact N-O 3.13Å; Q279-E287 PolarHBondContact NE2-OE1 2.85Å; R285-E287 VanDerWaalsContact C-N 3.34Å; R285-E287 HydrophobicContact CG-CB 4.06Å; R285-E287 IonicContact CZ-OE2 3.93Å; R285-E287 IonicContact NE-OE2 3.83Å; R285-E287 PolarHBondContact NE-OE2 2.84Å; R285-E287 IonicContact NH2-OE2 3.88Å; R285-E287 PolarHBondContact NH2-OE2 2.88Å; R285-E287 PolarHBondContact O-N 2.84Å | ||
| 288 | C | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 156.6 | 168 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | L275 L303 | L275-C288 WeakPolarHBondContact CD1-SG 3.38Å; C288-L303 HydrophobicContact CB-CB 3.88Å; C288-L303 HydrophobicContact CB-CD2 4.19Å; C288-L303 HydrophobicContact CB-CG 4.2Å; C288-L303 WeakPolarHBondContact CB-O 3.32Å; C288-L303 PolarHBondContact O-N 3.04Å; C288-L303 VanDerWaalsContact O-N 3.09Å |
| 289 | N | 96.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.3 | 164.5 | -68.2 | 103 | 0 | 0 | 0 | 111.6 | L256 I273 V274 R285 I300 E301 | L256-N289 WeakPolarHBondContact CD1-OD1 3.36Å; I273-N289 CarbonylContact C-O 3.47Å; I273-N289 VanDerWaalsContact CA-O 3.3Å; I273-N289 WeakPolarHBondContact CA-O 3.5Å; V274-N289 HydrophobicContact CB-CB 4.47Å; V274-N289 PolarHBondContact N-O 3.01Å; V274-N289 PolarHBondContact O-N 2.9Å; R285-N289 VanDerWaalsContact CZ-OD1 3.28Å; R285-N289 PolarHBondContact NH1-OD1 3.4Å; R285-N289 PolarHBondContact NH2-OD1 3.3Å; N289-I300 HydrophobicContact CB-CG2 4.12Å; N289-E301 WeakPolarHBondContact CA-O 3.4Å; N289-E301 VanDerWaalsContact CB-O 3.32Å; N289-E301 WeakPolarHBondContact CB-O 3.26Å; N289-E301 PolarHBondContact ND2-O 3.12Å |
| 290 | T | 96.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135 | 154.1 | -53.9 | 0 | 0 | 0 | 0 | 107.8 | K271 Y272 I292 E301 | K271-T290 HydrophobicContact CD-CG2 4.29Å; K271-T290 VanDerWaalsContact CE-CG2 3.42Å; K271-T290 HydrophobicContact CG-CG2 3.89Å; Y272-T290 WeakPolarHBondContact O-CA 3.43Å; T290-I292 HydrophobicContact CG2-CD1 4.28Å; T290-I292 HydrophobicContact CG2-CG1 3.84Å; T290-E301 PolarHBondContact N-O 2.8Å; T290-E301 PolarHBondContact O-N 2.81Å |
| 291 | V | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122 | 170 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | I210 I219 Y272 V274 L293 I298 H299 I300 | I210-V291 HydrophobicContact CD1-CB 4.33Å; I210-V291 HydrophobicContact CD1-CG1 4.07Å; I219-V291 HydrophobicContact CD1-CG1 4.45Å; Y272-V291 PolarHBondContact N-O 2.95Å; Y272-V291 PolarHBondContact O-N 3.17Å; V274-V291 HydrophobicContact CG2-CG2 3.65Å; V291-L293 HydrophobicContact CG1-CD2 4.33Å; V291-I298 HydrophobicContact CG1-CD1 3.68Å; V291-I298 HydrophobicContact CG1-CG1 3.82Å; V291-H299 WeakPolarHBondContact CA-O 3.39Å; V291-I300 HydrophobicContact CG2-CG1 4.28Å; V291-I300 HydrophobicContact CG2-CG2 4.36Å |
| 292 | I | 96.2 | Very high | 94.6 | Very high | 48 Ų | 48 | 57 Ų | 57 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.5 | -179 | -49.2 | 179.6 | 0 | 0 | 0 | 107.7 | K271 T290 H299 | K271-I292 HydrophobicContact CG-CG1 4.33Å; T290-I292 HydrophobicContact CG2-CD1 4.28Å; T290-I292 HydrophobicContact CG2-CG1 3.84Å; I292-H299 HydrophobicContact CB-CB 4.42Å; I292-H299 PolarHBondContact N-O 3.22Å; I292-H299 PolarHBondContact O-N 3.04Å |
| 293 | L | 95.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.6 | 167.9 | -48.7 | -177.7 | 0 | 0 | 0 | 109.7 | I210 R212 Y217 H270 Y272 V291 G297 I298 | I210-L293 HydrophobicContact CB-CD1 4.32Å; I210-L293 HydrophobicContact CG2-CD1 3.67Å; I210-L293 HydrophobicContact CG2-CG 4.4Å; R212-L293 HydrophobicContact CB-CB 3.96Å; R212-L293 HydrophobicContact CB-CD1 3.72Å; R212-L293 WeakPolarHBondContact CD-O 3.25Å; R212-L293 HydrophobicContact CG-CB 4.39Å; Y217-L293 HydrophobicContact CD2-CD1 3.77Å; Y217-L293 HydrophobicContact CD2-CD2 3.62Å; Y217-L293 HydrophobicContact CD2-CG 4.34Å; Y217-L293 HydrophobicContact CE2-CD1 4.05Å; Y217-L293 HydrophobicContact CE2-CD2 3.79Å; Y217-L293 HydrophobicContact CE2-CG 4.44Å; Y217-L293 HydrophobicContact CG-CD2 4.17Å; H270-L293 HydrophobicContact CB-CB 3.88Å; H270-L293 WeakPolarHBondContact CB-O 3.35Å; H270-L293 PolarHBondContact O-N 3.12Å; Y272-L293 HydrophobicContact CE2-CD1 4.24Å; Y272-L293 HydrophobicContact CE2-CG 4.3Å; V291-L293 HydrophobicContact CG1-CD2 4.33Å; L293-G297 VanDerWaalsContact CA-O 3.3Å; L293-G297 WeakPolarHBondContact CA-O 3.37Å; L293-I298 HydrophobicContact CD2-CB 3.61Å; L293-I298 HydrophobicContact CD2-CD1 3.98Å; L293-I298 HydrophobicContact CD2-CG1 3.62Å |
| 294 | D | 92.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 55 Ų | 55 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | trans | -128.8 | -159.4 | 178.9 | 80.7 | -10.6 | 0 | 0 | 0 | 111.8 | R212 K296 G297 H299 | R212-D294 PolarHBondContact NH1-O 3.43Å; D294-K296 VanDerWaalsContact C-N 3.34Å; D294-K296 WeakPolarHBondContact OD1-CA 3.46Å; D294-K296 WeakPolarHBondContact OD1-CB 3.39Å; D294-K296 PolarHBondContact OD1-N 2.81Å; D294-K296 IonicContact OD2-NZ 2.89Å; D294-G297 PolarHBondContact N-O 3.1Å; D294-G297 PolarHBondContact OD1-N 2.87Å; D294-H299 IonicContact OD1-NE2 2.79Å; D294-H299 IonicContact OD2-NE2 2.64Å | ||
| 295 | E | 89.9 | Confident | 94.5 | Very high | 182 Ų | 182 | 56.3 Ų | 56.3 | 85% | 0.85 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -74 | -22 | 176.7 | -62.3 | 178.5 | 173.9 | 0 | 0 | 113.5 | ||
| 296 | K | 90.3 | Very high | 94.3 | Very high | 169 Ų | 169 | 56.4 Ų | 56.4 | 74% | 0.735 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -88.7 | -30.5 | -179.8 | -57.6 | 166.5 | -167.6 | 141.4 | 0 | 111.3 | D294 | D294-K296 VanDerWaalsContact C-N 3.34Å; D294-K296 WeakPolarHBondContact OD1-CA 3.46Å; D294-K296 WeakPolarHBondContact OD1-CB 3.39Å; D294-K296 PolarHBondContact OD1-N 2.81Å; D294-K296 IonicContact OD2-NZ 2.89Å |
| 297 | G | 93.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | trans | 147.9 | -124.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y217 L293 D294 | Y217-G297 WeakPolarHBondContact OH-CA 3.44Å; L293-G297 VanDerWaalsContact CA-O 3.3Å; L293-G297 WeakPolarHBondContact CA-O 3.37Å; D294-G297 PolarHBondContact N-O 3.1Å; D294-G297 PolarHBondContact OD1-N 2.87Å | ||
| 298 | I | 97.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.6 | 178.5 | -177.8 | 169.2 | 0 | 0 | 0 | 111.1 | Y217 I219 L233 L252 F254 V291 L293 I300 | Y217-I298 HydrophobicContact CD1-CB 3.72Å; Y217-I298 HydrophobicContact CD1-CD1 4.13Å; Y217-I298 HydrophobicContact CD1-CG2 3.5Å; Y217-I298 VanDerWaalsContact CD1-CG2 3.5Å; Y217-I298 HydrophobicContact CE1-CB 3.66Å; Y217-I298 HydrophobicContact CE1-CG2 3.44Å; Y217-I298 VanDerWaalsContact CE1-CG2 3.44Å; Y217-I298 HydrophobicContact CG-CB 4.22Å; Y217-I298 HydrophobicContact CG-CD1 4.13Å; Y217-I298 HydrophobicContact CG-CG2 4.43Å; I219-I298 HydrophobicContact CD1-CD1 3.89Å; L233-I298 HydrophobicContact CD1-CD1 3.92Å; L233-I298 HydrophobicContact CD2-CD1 4.43Å; L233-I298 HydrophobicContact CD2-CG2 3.93Å; L252-I298 HydrophobicContact CD1-CG2 3.71Å; F254-I298 HydrophobicContact CE2-CG2 4.11Å; F254-I298 HydrophobicContact CZ-CG2 4.07Å; V291-I298 HydrophobicContact CG1-CD1 3.68Å; V291-I298 HydrophobicContact CG1-CG1 3.82Å; L293-I298 HydrophobicContact CD2-CB 3.61Å; L293-I298 HydrophobicContact CD2-CD1 3.98Å; L293-I298 HydrophobicContact CD2-CG1 3.62Å; I298-I300 HydrophobicContact CD1-CD1 4.08Å; I298-I300 HydrophobicContact CD1-CG1 4.06Å; I298-I300 HydrophobicContact CG1-CD1 4.47Å; I298-I300 HydrophobicContact CG1-CG1 3.97Å |
| 299 | H | 96.5 | Very high | 94.3 | Very high | 78 Ų | 78 | 63 Ų | 63 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.1 | 169.9 | -64.3 | -41.2 | 0 | 0 | 0 | 109.3 | V291 I292 D294 | V291-H299 WeakPolarHBondContact CA-O 3.39Å; I292-H299 HydrophobicContact CB-CB 4.42Å; I292-H299 PolarHBondContact N-O 3.22Å; I292-H299 PolarHBondContact O-N 3.04Å; D294-H299 IonicContact OD1-NE2 2.79Å; D294-H299 IonicContact OD2-NE2 2.64Å |
| 300 | I | 97.3 | Very high | 94.2 | Very high | 37 Ų | 37 | 68.5 Ų | 68.5 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118 | -179.4 | -54.1 | -175.8 | 0 | 0 | 0 | 107.8 | L233 F254 L256 N289 V291 I298 | L233-I300 HydrophobicContact CD2-CD1 4.1Å; F254-I300 HydrophobicContact CD2-CD1 4.49Å; L256-I300 HydrophobicContact CD1-CD1 4.49Å; L256-I300 HydrophobicContact CD1-CG2 4.09Å; L256-I300 HydrophobicContact CD2-CG2 4.24Å; L256-I300 HydrophobicContact CG-CD1 4.35Å; L256-I300 HydrophobicContact CG-CG2 4.38Å; N289-I300 HydrophobicContact CB-CG2 4.12Å; V291-I300 HydrophobicContact CG2-CG1 4.28Å; V291-I300 HydrophobicContact CG2-CG2 4.36Å; I298-I300 HydrophobicContact CD1-CD1 4.08Å; I298-I300 HydrophobicContact CD1-CG1 4.06Å; I298-I300 HydrophobicContact CG1-CD1 4.47Å; I298-I300 HydrophobicContact CG1-CG1 3.97Å |
| 301 | E | 95.9 | Very high | 94 | Very high | 101 Ų | 101 | 71.2 Ų | 71.2 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148.3 | -178.6 | -59.9 | 176.3 | 153.6 | 0 | 0 | 109.5 | N289 T290 | N289-E301 WeakPolarHBondContact CA-O 3.4Å; N289-E301 VanDerWaalsContact CB-O 3.32Å; N289-E301 WeakPolarHBondContact CB-O 3.26Å; N289-E301 PolarHBondContact ND2-O 3.12Å; T290-E301 PolarHBondContact N-O 2.8Å; T290-E301 PolarHBondContact O-N 2.81Å |
| 302 | H | 94.8 | Very high | 93.9 | Very high | 130 Ų | 130 | 71.2 Ų | 71.2 | 60% | 0.602 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 139.2 | 169.8 | -179 | 73.6 | 0 | 0 | 0 | 109.8 | ||
| 303 | L | 94.1 | Very high | 93.8 | Very high | 32 Ų | 32 | 72.6 Ų | 72.6 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.5 | 174.9 | -178.5 | 65.6 | 0 | 0 | 0 | 108.6 | M1 I273 C288 F351 | M1-L303 HydrophobicContact CE-CD1 3.72Å; M1-L303 HydrophobicContact CE-CG 4.02Å; M1-L303 HydrophobicContact SD-CD1 4.11Å; M1-L303 HydrophobicContact SD-CD2 3.96Å; M1-L303 HydrophobicContact SD-CG 3.91Å; I273-L303 HydrophobicContact CD1-CD2 3.69Å; I273-L303 HydrophobicContact CG1-CD2 4.01Å; I273-L303 HydrophobicContact CG2-CD2 3.98Å; C288-L303 HydrophobicContact CB-CB 3.88Å; C288-L303 HydrophobicContact CB-CD2 4.19Å; C288-L303 HydrophobicContact CB-CG 4.2Å; C288-L303 WeakPolarHBondContact CB-O 3.32Å; C288-L303 PolarHBondContact O-N 3.04Å; C288-L303 VanDerWaalsContact O-N 3.09Å; L303-F351 HydrophobicContact CD2-CD1 3.92Å; L303-F351 HydrophobicContact CD2-CE1 4.08Å |
| 304 | E | 92.1 | Very high | 93.6 | Very high | 140 Ų | 140 | 79 Ų | 79 | 65% | 0.654 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 124.3 | 178.3 | -171.7 | -174.6 | 171.8 | 0 | 0 | 109.6 | M1 | M1-E304 HydrophobicContact CE-CB 4.32Å; M1-E304 WeakPolarHBondContact CE-O 3.39Å; M1-E304 VanDerWaalsContact SD-O 3.34Å |
| 305 | P | 90.6 | Very high | 93.6 | Very high | 45 Ų | 45 | 77.4 Ų | 77.4 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -70 | 153.9 | -178.1 | 28.5 | -34.4 | 0 | 0 | 0 | 112.1 | M286 | M286-P305 WeakPolarHBondContact O-CB 3.44Š|
| 306 | P | 90.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 77.2 Ų | 77.2 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 152 | 168.8 | 29.6 | -35.9 | 0 | 0 | 0 | 110.3 | L3 W308 V349 | L3-P306 HydrophobicContact CB-CB 4.22Å; P306-W308 HydrophobicContact CG-CD2 4.23Å; P306-W308 HydrophobicContact CG-CE3 4.14Å; P306-W308 HydrophobicContact CG-CH2 3.69Å; P306-W308 HydrophobicContact CG-CZ2 3.75Å; P306-W308 HydrophobicContact CG-CZ3 3.88Å; P306-W308 PolarHBondContact O-N 2.81Å; P306-V349 HydrophobicContact CB-CG1 4.44Å; P306-V349 HydrophobicContact CG-CG1 4Å |
| 307 | K | 93.2 | Very high | 93.9 | Very high | 192 Ų | 192 | 71.9 Ų | 71.9 | 84% | 0.835 | 34% | 0.343 | S | S | * | . | trans | -66.1 | 96.5 | 175.6 | -66.7 | -174.5 | 179.2 | -177.2 | 0 | 110.1 | L3 | L3-K307 VanDerWaalsContact CD2-O 3.3Å; L3-K307 WeakPolarHBondContact CD2-O 3.44Å | ||
| 308 | W | 95.5 | Very high | 94.1 | Very high | 34 Ų | 34 | 72.3 Ų | 72.3 | 13% | 0.129 | 34% | 0.343 | C | S | . | . | trans | -62.2 | 139.9 | -177.8 | -62 | 120.8 | 0 | 0 | 0 | 112.3 | L3 L275 M286 P306 I312 I313 W318 L330 | L3-W308 HydrophobicContact CD1-CZ3 4.33Å; L3-W308 HydrophobicContact CD2-CE3 4.15Å; L275-W308 HydrophobicContact CD1-CH2 3.78Å; L275-W308 HydrophobicContact CD1-CZ2 3.8Å; L275-W308 HydrophobicContact CD2-CH2 4.29Å; L275-W308 HydrophobicContact CG-CH2 4.37Å; M286-W308 HydrophobicContact CE-CB 4.17Å; M286-W308 HydrophobicContact CE-CD2 4.11Å; M286-W308 HydrophobicContact CE-CG 3.68Å; M286-W308 PolarHBondContact O-NE1 2.87Å; P306-W308 HydrophobicContact CG-CD2 4.23Å; P306-W308 HydrophobicContact CG-CE3 4.14Å; P306-W308 HydrophobicContact CG-CH2 3.69Å; P306-W308 HydrophobicContact CG-CZ2 3.75Å; P306-W308 HydrophobicContact CG-CZ3 3.88Å; P306-W308 PolarHBondContact O-N 2.81Å; W308-I312 HydrophobicContact CD2-CG2 4.2Å; W308-I312 HydrophobicContact CE3-CB 4.38Å; W308-I312 HydrophobicContact CE3-CD1 3.82Å; W308-I312 HydrophobicContact CE3-CG2 3.72Å; W308-I312 HydrophobicContact CZ3-CD1 4.2Å; W308-I312 HydrophobicContact CZ3-CG2 4.18Å; W308-I313 HydrophobicContact CB-CD1 4.18Å; W308-I313 HydrophobicContact CB-CG1 3.82Å; W308-W318 HydrophobicContact CH2-CH2 4.29Å; W308-W318 AromaticContact CH2-CZ3 3.82Å; W308-W318 HydrophobicContact CH2-CZ3 3.82Å; W308-W318 HydrophobicContact CZ2-CH2 4.11Å; W308-W318 HydrophobicContact CZ2-CZ3 4Å; W308-W318 HydrophobicContact CZ3-CZ3 4.16Å; W308-L330 HydrophobicContact CH2-CD2 4.23Å; W308-L330 HydrophobicContact CZ3-CD2 3.7Å | ||
| 309 | T | 94.9 | Very high | 94 | Very high | 44 Ų | 44 | 73.1 Ų | 73.1 | 27% | 0.27 | 35% | 0.346 | S | S | . | . | trans | -73.5 | 159.3 | 171.3 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | L3 D311 I312 I313 Y347 | L3-T309 HydrophobicContact CD2-CG2 4.14Å; T309-D311 PolarHBondContact O-N 3.34Å; T309-I312 PolarHBondContact O-N 3.47Å; T309-I312 VanDerWaalsContact O-N 3.11Å; T309-I312 WeakPolarHBondContact OG1-CD1 3.48Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.38Å; T309-I313 WeakPolarHBondContact O-CG1 3.33Å; T309-I313 PolarHBondContact O-N 3.31Å; T309-Y347 HydrophobicContact CG2-CE1 3.87Å; T309-Y347 PolarHBondContact OG1-OH 3.46Å | ||
| 310 | Q | 93.4 | Very high | 94 | Very high | 124 Ų | 124 | 70.4 Ų | 70.4 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.9 | -30.9 | 178.5 | -63.5 | -61.5 | -8.3 | 0 | 0 | 112.5 | I313 H314 | Q310-I313 PolarHBondContact O-N 2.63Å; Q310-H314 WeakPolarHBondContact O-CB 3.5Å; Q310-H314 PolarHBondContact O-N 3.29Å; Q310-H314 PolarHBondContact O-ND1 2.89Å; Q310-H314 PolarHBondContact OE1-CE1 3.46Å |
| 311 | D | 92.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 69.2 Ų | 69.2 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.3 | -38.5 | -80.4 | 0 | 0 | 0 | 111.6 | T309 S315 Y345 Y347 | T309-D311 PolarHBondContact O-N 3.34Å; D311-S315 WeakPolarHBondContact O-CB 3.26Å; D311-S315 PolarHBondContact O-N 3.33Å; D311-Y345 HydrophobicContact CB-CD2 4.28Å; D311-Y347 PolarHBondContact OD2-OH 2.97Å |
| 312 | I | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.3 | -35.3 | 177.8 | -59.4 | 166 | 0 | 0 | 0 | 111 | L3 K284 M286 W308 T309 W318 L330 V332 Y347 | L3-I312 HydrophobicContact CD1-CD1 4.23Å; L3-I312 HydrophobicContact CD2-CD1 3.98Å; K284-I312 WeakPolarHBondContact CE-O 3.4Å; K284-I312 PolarHBondContact NZ-O 2.75Å; M286-I312 HydrophobicContact CE-CG2 4.21Å; W308-I312 HydrophobicContact CD2-CG2 4.2Å; W308-I312 HydrophobicContact CE3-CB 4.38Å; W308-I312 HydrophobicContact CE3-CD1 3.82Å; W308-I312 HydrophobicContact CE3-CG2 3.72Å; W308-I312 HydrophobicContact CZ3-CD1 4.2Å; W308-I312 HydrophobicContact CZ3-CG2 4.18Å; T309-I312 PolarHBondContact O-N 3.47Å; T309-I312 VanDerWaalsContact O-N 3.11Å; T309-I312 WeakPolarHBondContact OG1-CD1 3.48Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.38Å; I312-W318 HydrophobicContact CG2-CE3 3.77Å; I312-W318 HydrophobicContact CG2-CZ3 3.78Å; I312-L330 HydrophobicContact CD1-CD2 4.12Å; I312-L330 HydrophobicContact CG2-CD2 4.39Å; I312-V332 HydrophobicContact CG1-CG1 4.14Å; I312-Y347 HydrophobicContact CD1-CD1 4Å; I312-Y347 HydrophobicContact CD1-CD2 3.73Å; I312-Y347 HydrophobicContact CD1-CE1 4.07Å; I312-Y347 HydrophobicContact CD1-CE2 3.78Å; I312-Y347 HydrophobicContact CD1-CG 3.84Å; I312-Y347 HydrophobicContact CG1-CD2 3.98Å; I312-Y347 HydrophobicContact CG1-CE2 3.65Å |
| 313 | I | 94.4 | Very high | 93.7 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.4 | -56 | 175.5 | -68.4 | 165.9 | 0 | 0 | 0 | 109.8 | K284 M286 W308 T309 Q310 | K284-I313 PolarHBondContact NZ-O 2.64Å; M286-I313 HydrophobicContact CE-CG1 4.33Å; W308-I313 HydrophobicContact CB-CD1 4.18Å; W308-I313 HydrophobicContact CB-CG1 3.82Å; T309-I313 WeakPolarHBondContact O-CG1 3.33Å; T309-I313 PolarHBondContact O-N 3.31Å; Q310-I313 PolarHBondContact O-N 2.63Å |
| 314 | H | 91.9 | Very high | 93.4 | Very high | 143 Ų | 143 | 59.1 Ų | 59.1 | 66% | 0.662 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -79.6 | -28.7 | -171.1 | -66.8 | 94.7 | 0 | 0 | 0 | 115.1 | Q310 R316 | Q310-H314 WeakPolarHBondContact O-CB 3.5Å; Q310-H314 PolarHBondContact O-N 3.29Å; Q310-H314 PolarHBondContact O-ND1 2.89Å; Q310-H314 PolarHBondContact OE1-CE1 3.46Å; H314-R316 PolarHBondContact O-N 3.22Å |
| 315 | S | 93.2 | Very high | 93 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | trans | -61.4 | 138.2 | -178.5 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | K284 D311 T317 P333 E335 | K284-S315 WeakPolarHBondContact CD-O 3.4Å; K284-S315 WeakPolarHBondContact CE-O 3.48Å; K284-S315 PolarHBondContact NZ-O 3.1Å; D311-S315 WeakPolarHBondContact O-CB 3.26Å; D311-S315 PolarHBondContact O-N 3.33Å; S315-T317 VanDerWaalsContact C-N 3.26Å; S315-T317 PolarHBondContact O-N 3.13Å; S315-T317 PolarHBondContact OG-O 3.37Å; S315-P333 WeakPolarHBondContact OG-CD 3.36Å; S315-P333 WeakPolarHBondContact OG-CG 3.17Å; S315-E335 PolarHBondContact OG-OE1 2.8Å | ||
| 316 | R | 92.3 | Very high | 93.1 | Very high | 178 Ų | 178 | 55.6 Ų | 55.6 | 67% | 0.672 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -65.9 | -28.6 | -177.4 | -175 | 175.2 | 175.1 | 176.3 | -1.4 | 112.9 | H314 E335 | H314-R316 PolarHBondContact O-N 3.22Å; R316-E335 PolarHBondContact N-OE1 3.5Å |
| 317 | T | 94.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 56 Ų | 56 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | trans | -138.1 | 160.4 | -172.1 | 63.7 | 0 | 0 | 0 | 0 | 113 | Y278 S315 P333 | Y278-T317 WeakPolarHBondContact OH-CB 3.42Å; S315-T317 VanDerWaalsContact C-N 3.26Å; S315-T317 PolarHBondContact O-N 3.13Å; S315-T317 PolarHBondContact OG-O 3.37Å; T317-P333 WeakPolarHBondContact O-CD 3.21Å | ||
| 318 | W | 96.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | trans | -149.6 | 160.3 | 171.1 | 59.8 | 1 | 0 | 0 | 0 | 111.5 | G277 Y278 K284 R285 M286 W308 I312 L330 A331 V332 | G277-W318 PolarHBondContact O-NE1 3.28Å; Y278-W318 AromaticContact CE2-CD1 3.93Å; Y278-W318 AromaticContact CZ-CD1 3.71Å; Y278-W318 PolarHBondContact OH-N 3.32Å; Y278-W318 PolarHBondContact OH-O 3.41Å; K284-W318 HydrophobicContact CB-CZ2 4.28Å; K284-W318 HydrophobicContact CD-CB 4.43Å; K284-W318 HydrophobicContact CD-CD2 4Å; K284-W318 HydrophobicContact CD-CG 3.92Å; R285-W318 VanDerWaalsContact O-CH2 3.23Å; R285-W318 WeakPolarHBondContact O-CH2 3.3Å; R285-W318 WeakPolarHBondContact O-CZ2 3.31Å; M286-W318 HydrophobicContact CE-CZ3 4.44Å; M286-W318 HydrophobicContact SD-CH2 4.25Å; W308-W318 HydrophobicContact CH2-CH2 4.29Å; W308-W318 AromaticContact CH2-CZ3 3.82Å; W308-W318 HydrophobicContact CH2-CZ3 3.82Å; W308-W318 HydrophobicContact CZ2-CH2 4.11Å; W308-W318 HydrophobicContact CZ2-CZ3 4Å; W308-W318 HydrophobicContact CZ3-CZ3 4.16Å; I312-W318 HydrophobicContact CG2-CE3 3.77Å; I312-W318 HydrophobicContact CG2-CZ3 3.78Å; W318-L330 HydrophobicContact CB-CD1 4.11Å; W318-L330 HydrophobicContact CD2-CD1 4.08Å; W318-L330 HydrophobicContact CE3-CD1 3.78Å; W318-L330 HydrophobicContact CE3-CD2 3.95Å; W318-L330 HydrophobicContact CE3-CG 4.38Å; W318-L330 HydrophobicContact CG-CD1 4.26Å; W318-L330 HydrophobicContact CZ3-CD2 4.25Å; W318-A331 VanDerWaalsContact CA-O 3.31Å; W318-A331 WeakPolarHBondContact CA-O 3.4Å; W318-V332 HydrophobicContact CB-CG1 3.95Å | ||
| 319 | F | 96.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 10% | 0.101 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 170.5 | 171 | 64.9 | -82.7 | 0 | 0 | 0 | 110.1 | Q16 P17 A331 H344 | Q16-F319 VanDerWaalsContact O-CE2 3.32Å; Q16-F319 WeakPolarHBondContact O-CE2 3.39Å; P17-F319 HydrophobicContact CB-CD1 4.16Å; P17-F319 HydrophobicContact CB-CG 4.25Å; P17-F319 HydrophobicContact CG-CD1 3.72Å; P17-F319 HydrophobicContact CG-CE1 3.79Å; P17-F319 HydrophobicContact CG-CG 4.28Å; P17-F319 HydrophobicContact CG-CZ 4.39Å; F319-A331 HydrophobicContact CD1-CB 4.16Å; F319-A331 HydrophobicContact CD2-CB 4.19Å; F319-A331 HydrophobicContact CE1-CB 3.75Å; F319-A331 HydrophobicContact CE2-CB 3.79Å; F319-A331 HydrophobicContact CG-CB 4.37Å; F319-A331 HydrophobicContact CZ-CB 3.56Å; F319-A331 PolarHBondContact N-O 3.35Å; F319-A331 PolarHBondContact O-N 2.95Å; F319-H344 AromaticContact CE1-CD2 3.58Å; F319-H344 AromaticContact CE1-NE2 3.53Å; F319-H344 AromaticContact CZ-CD2 3.9Å; F319-H344 AromaticContact CZ-CE1 3.93Å; F319-H344 AromaticContact CZ-NE2 3.73Å |
| 320 | G | 96 | Very high | 93.5 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.8 | -161.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L262 L329 | L262-G320 WeakPolarHBondContact CD2-O 3.48Å; G320-L329 CarbonylContact C-O 3.59Å; G320-L329 WeakPolarHBondContact CA-O 3.36Å |
| 321 | G | 95.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 12% | 0.124 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 171 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A323 I328 L329 | G321-A323 PolarHBondContact O-N 3.35Å; G321-I328 WeakPolarHBondContact O-CA 3.29Å; G321-I328 WeakPolarHBondContact O-CG2 3.48Å; G321-L329 PolarHBondContact N-O 3.09Å; G321-L329 PolarHBondContact O-N 2.79Å |
| 322 | S | 94.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 131.9 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 111 | L21 V263 T264 G324 | L21-S322 WeakPolarHBondContact CB-O 3.48Å; V263-S322 WeakPolarHBondContact O-CB 3.38Å; T264-S322 PolarHBondContact OG1-OG 2.97Å; T264-S322 VanDerWaalsContact OG1-OG 3.08Å; S322-G324 VanDerWaalsContact C-N 3.31Å; S322-G324 PolarHBondContact OG-N 2.9Å; S322-G324 VanDerWaalsContact OG-N 3.1Å |
| 323 | A | 92.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 36 Ų | 36 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | trans | -97.8 | 21.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I28 G321 C327 | I28-A323 VanDerWaalsContact CD1-C 3.47Å; I28-A323 VanDerWaalsContact CD1-O 3.25Å; I28-A323 WeakPolarHBondContact CD1-O 3.37Å; I28-A323 WeakPolarHBondContact CG1-O 3.25Å; G321-A323 PolarHBondContact O-N 3.35Å; A323-C327 HydrophobicContact CB-CB 3.98Å; A323-C327 PolarHBondContact N-O 2.96Å | ||
| 324 | G | 86.3 | Confident | 92.9 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 77 | 167.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | S322 G326 C327 | S322-G324 VanDerWaalsContact C-N 3.31Å; S322-G324 PolarHBondContact OG-N 2.9Å; S322-G324 VanDerWaalsContact OG-N 3.1Å; G324-G326 VanDerWaalsContact C-N 3.34Å; G324-G326 PolarHBondContact O-N 3.41Å; G324-C327 WeakPolarHBondContact O-CA 3.19Å; G324-C327 WeakPolarHBondContact O-CB 3.1Å; G324-C327 PolarHBondContact O-N 3.25Å |
| 325 | D | 85.4 | Confident | 91.8 | Very high | 112 Ų | 112 | 32.3 Ų | 32.3 | 60% | 0.599 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 42.2 | 159.3 | -52 | -18.3 | 0 | 0 | 0 | 117 | Q23 C327 | Q23-D325 PolarHBondContact NE2-OD1 3.03Å; D325-C327 VanDerWaalsContact C-N 3.32Å |
| 326 | G | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 16.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | R265 G324 F351 | R265-G326 PolarHBondContact O-N 3.41Å; R265-G326 VanDerWaalsContact O-N 3.1Å; G324-G326 VanDerWaalsContact C-N 3.34Å; G324-G326 PolarHBondContact O-N 3.41Å; G326-F351 WeakPolarHBondContact O-CA 3.5Å; G326-F351 VanDerWaalsContact O-CB 3.28Å; G326-F351 WeakPolarHBondContact O-CB 3.5Å; G326-F351 WeakPolarHBondContact O-CD2 3.4Å; G326-F351 PolarHBondContact O-N 2.68Å |
| 327 | C | 94.1 | Very high | 88.2 | Confident | 17 Ų | 17 | 34.2 Ų | 34.2 | 12% | 0.115 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 156.7 | 176.8 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | T264 A323 G324 D325 H348 V349 S350 | T264-C327 PolarHBondContact OG1-O 3.24Å; T264-C327 VanDerWaalsContact OG1-O 3.06Å; A323-C327 HydrophobicContact CB-CB 3.98Å; A323-C327 PolarHBondContact N-O 2.96Å; G324-C327 WeakPolarHBondContact O-CA 3.19Å; G324-C327 WeakPolarHBondContact O-CB 3.1Å; G324-C327 PolarHBondContact O-N 3.25Å; D325-C327 VanDerWaalsContact C-N 3.32Å; C327-H348 WeakPolarHBondContact CB-NE2 3.46Å; C327-V349 CarbonylContact C-O 3.59Å; C327-V349 VanDerWaalsContact CA-O 3.26Å; C327-V349 WeakPolarHBondContact CA-O 3.26Å; C327-S350 PolarHBondContact SG-OG 3.03Å |
| 328 | I | 96.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135.4 | 176.4 | -70.7 | 175.3 | 0 | 0 | 0 | 108.9 | L262 T264 L275 G321 V349 F351 | L262-I328 HydrophobicContact CB-CD1 4.02Å; L262-I328 HydrophobicContact CB-CG2 4.3Å; L262-I328 HydrophobicContact CD1-CG2 3.69Å; T264-I328 HydrophobicContact CG2-CD1 3.87Å; T264-I328 HydrophobicContact CG2-CG1 3.84Å; L275-I328 HydrophobicContact CB-CD1 3.65Å; L275-I328 HydrophobicContact CD2-CB 4.28Å; L275-I328 HydrophobicContact CD2-CD1 3.66Å; L275-I328 HydrophobicContact CD2-CG2 4.04Å; L275-I328 HydrophobicContact CG-CD1 4.3Å; G321-I328 WeakPolarHBondContact O-CA 3.29Å; G321-I328 WeakPolarHBondContact O-CG2 3.48Å; I328-V349 HydrophobicContact CB-CB 4.4Å; I328-V349 PolarHBondContact N-O 3.37Å; I328-V349 PolarHBondContact O-N 3.24Å; I328-F351 HydrophobicContact CD1-CE2 4.2Å |
| 329 | L | 96.5 | Very high | 84 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.5 | 163.6 | -179.9 | 68.1 | 0 | 0 | 0 | 108.4 | L6 L15 L21 M55 G320 G321 | L6-L329 HydrophobicContact CD1-CD1 3.54Å; L15-L329 HydrophobicContact CD2-CD2 4.34Å; L21-L329 HydrophobicContact CD1-CB 3.72Å; L21-L329 HydrophobicContact CD1-CD2 4.06Å; L21-L329 HydrophobicContact CD1-CG 4.47Å; M55-L329 HydrophobicContact CE-CD2 3.71Å; M55-L329 HydrophobicContact SD-CD1 4.31Å; M55-L329 HydrophobicContact SD-CD2 4.02Å; G320-L329 CarbonylContact C-O 3.59Å; G320-L329 WeakPolarHBondContact CA-O 3.36Å; G321-L329 PolarHBondContact N-O 3.09Å; G321-L329 PolarHBondContact O-N 2.79Å |
| 330 | L | 96.4 | Very high | 81.9 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.3 | -178.5 | -177.6 | 70.4 | 0 | 0 | 0 | 109.6 | L262 W308 I312 W318 F346 Y347 V349 | L262-L330 HydrophobicContact CD1-CD1 3.77Å; W308-L330 HydrophobicContact CH2-CD2 4.23Å; W308-L330 HydrophobicContact CZ3-CD2 3.7Å; I312-L330 HydrophobicContact CD1-CD2 4.12Å; I312-L330 HydrophobicContact CG2-CD2 4.39Å; W318-L330 HydrophobicContact CB-CD1 4.11Å; W318-L330 HydrophobicContact CD2-CD1 4.08Å; W318-L330 HydrophobicContact CE3-CD1 3.78Å; W318-L330 HydrophobicContact CE3-CD2 3.95Å; W318-L330 HydrophobicContact CE3-CG 4.38Å; W318-L330 HydrophobicContact CG-CD1 4.26Å; W318-L330 HydrophobicContact CZ3-CD2 4.25Å; L330-F346 CarbonylContact O-C 3.12Å; L330-F346 WeakPolarHBondContact O-CA 3.48Å; L330-Y347 PolarHBondContact N-O 3.27Å; L330-Y347 PolarHBondContact O-N 2.84Å; L330-V349 HydrophobicContact CB-CG2 4.37Å; L330-V349 HydrophobicContact CD2-CG2 4.49Å |
| 331 | A | 94.9 | Very high | 80 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W318 F319 H344 Y345 F346 | W318-A331 VanDerWaalsContact CA-O 3.31Å; W318-A331 WeakPolarHBondContact CA-O 3.4Å; F319-A331 HydrophobicContact CD1-CB 4.16Å; F319-A331 HydrophobicContact CD2-CB 4.19Å; F319-A331 HydrophobicContact CE1-CB 3.75Å; F319-A331 HydrophobicContact CE2-CB 3.79Å; F319-A331 HydrophobicContact CG-CB 4.37Å; F319-A331 HydrophobicContact CZ-CB 3.56Å; F319-A331 PolarHBondContact N-O 3.35Å; F319-A331 PolarHBondContact O-N 2.95Å; A331-H344 HydrophobicContact CB-CB 4.47Å; A331-Y345 WeakPolarHBondContact CA-O 3.18Å; A331-F346 HydrophobicContact CB-CD1 3.71Å; A331-F346 HydrophobicContact CB-CE1 3.67Å |
| 332 | V | 94.3 | Very high | 78.3 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.5 | 174.3 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | I312 W318 H344 Y345 Y347 | I312-V332 HydrophobicContact CG1-CG1 4.14Å; W318-V332 HydrophobicContact CB-CG1 3.95Å; V332-H344 CarbonylContact O-C 3.59Å; V332-H344 WeakPolarHBondContact O-CA 3.49Å; V332-H344 WeakPolarHBondContact O-CB 3.25Å; V332-Y345 HydrophobicContact CG2-CD2 4.39Å; V332-Y345 PolarHBondContact N-O 3.4Å; V332-Y345 PolarHBondContact O-N 2.77Å; V332-Y347 HydrophobicContact CG2-CE2 3.91Å |
| 333 | P | 90.5 | Very high | 77.6 | Confident | 29 Ų | 29 | 52 Ų | 52 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 147.1 | 180 | 29.1 | -36.6 | 0 | 0 | 0 | 113.1 | S315 T317 E335 V343 | S315-P333 WeakPolarHBondContact OG-CD 3.36Å; S315-P333 WeakPolarHBondContact OG-CG 3.17Å; T317-P333 WeakPolarHBondContact O-CD 3.21Å; P333-E335 HydrophobicContact CG-CG 4.37Å; P333-E335 PolarHBondContact O-N 3.49Å; P333-E335 VanDerWaalsContact O-N 3.16Å; P333-V343 WeakPolarHBondContact CA-O 3.47Å |
| 334 | T | 83.6 | Confident | 77.5 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | trans | -84.9 | 76.4 | 175.2 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | D342 V343 Y345 | T334-D342 WeakPolarHBondContact CG2-O 3.38Å; T334-D342 PolarHBondContact OG1-O 3.44Å; T334-D342 VanDerWaalsContact OG1-O 3.05Å; T334-V343 PolarHBondContact N-O 2.56Å; T334-V343 VanDerWaalsContact N-O 3.08Å; T334-V343 VanDerWaalsContact OG1-C 3.3Å; T334-V343 PolarHBondContact OG1-O 3.15Å; T334-Y345 HydrophobicContact CG2-CD1 4.02Å; T334-Y345 HydrophobicContact CG2-CD2 4.05Å; T334-Y345 HydrophobicContact CG2-CE1 3.89Å; T334-Y345 HydrophobicContact CG2-CE2 3.94Å; T334-Y345 HydrophobicContact CG2-CG 4.09Å | ||
| 335 | E | 69.1 | Low | 77.8 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 54% | 0.542 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 137.8 | 178.7 | -64.9 | 176.9 | -136.9 | 0 | 0 | 111.7 | S315 R316 P333 R337 | S315-E335 PolarHBondContact OG-OE1 2.8Å; R316-E335 PolarHBondContact N-OE1 3.5Å; P333-E335 HydrophobicContact CG-CG 4.37Å; P333-E335 PolarHBondContact O-N 3.49Å; P333-E335 VanDerWaalsContact O-N 3.16Å; E335-R337 PolarHBondContact O-N 2.78Å |
| 336 | G | 56.7 | Low | 78.2 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 83% | 0.825 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 10.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 337 | R | 51.7 | Low | 78.4 | Confident | 149 Ų | 149 | 50.6 Ų | 50.6 | 56% | 0.562 | 29% | 0.293 | S | S | * | . | trans | -125.9 | 99.9 | 178.1 | -65.3 | -172.3 | -175.8 | 175.3 | 3.9 | 113.2 | E335 S339 Q340 | E335-R337 PolarHBondContact O-N 2.78Å; R337-S339 PolarHBondContact O-N 2.6Å; R337-S339 VanDerWaalsContact O-N 3.12Å; R337-Q340 HydrophobicContact CB-CG 4.42Å | ||
| 338 | P | 51.6 | Low | 78.5 | Confident | 141 Ų | 141 | 51.3 Ų | 51.3 | 92% | 0.916 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 2.9 | -178.4 | 30.7 | -36 | 0 | 0 | 0 | 114.9 | ||
| 339 | S | 50.2 | Low | 78.4 | Confident | 98 Ų | 98 | 51.3 Ų | 51.3 | 69% | 0.685 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 19.8 | -176.3 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | R337 | R337-S339 PolarHBondContact O-N 2.6Å; R337-S339 VanDerWaalsContact O-N 3.12Å |
| 340 | Q | 53.7 | Low | 78.3 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | trans | -123.3 | 128 | 177.9 | -65.7 | -74.1 | -100 | 0 | 0 | 110.1 | R337 D342 | R337-Q340 HydrophobicContact CB-CG 4.42Å; Q340-D342 VanDerWaalsContact C-N 3.31Å | ||
| 341 | P | 55.2 | Low | 78 | Confident | 100 Ų | 100 | 52.4 Ų | 52.4 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -76.2 | -21.6 | 173.7 | 31.7 | -34.8 | 0 | 0 | 0 | 112.4 | T12 V343 | T12-P341 VanDerWaalsContact CG2-O 3.25Å; T12-P341 WeakPolarHBondContact CG2-O 3.39Å; P341-V343 PolarHBondContact O-N 2.72Å |
| 342 | D | 60.2 | Low | 76.8 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | trans | -80.3 | 117.3 | 177.7 | -74.5 | -51.8 | 0 | 0 | 0 | 111.5 | P8 T12 T334 Q340 H344 | P8-D342 HydrophobicContact CG-CB 4.41Å; P8-D342 VanDerWaalsContact CG-CG 3.47Å; P8-D342 WeakPolarHBondContact CG-OD1 3.16Å; P8-D342 WeakPolarHBondContact CG-OD2 3.37Å; T12-D342 WeakPolarHBondContact CB-OD1 3.13Å; T12-D342 WeakPolarHBondContact CG2-OD1 3.3Å; T12-D342 PolarHBondContact OG1-OD1 2.94Å; T334-D342 WeakPolarHBondContact CG2-O 3.38Å; T334-D342 PolarHBondContact OG1-O 3.44Å; T334-D342 VanDerWaalsContact OG1-O 3.05Å; Q340-D342 VanDerWaalsContact C-N 3.31Å; D342-H344 VanDerWaalsContact C-N 3.3Å; D342-H344 PolarHBondContact O-N 2.86Å | ||
| 343 | V | 80.6 | Confident | 75 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 39% | 0.394 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -77.1 | -15.2 | -177.1 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | P333 T334 P341 | P333-V343 WeakPolarHBondContact CA-O 3.47Å; T334-V343 PolarHBondContact N-O 2.56Å; T334-V343 VanDerWaalsContact N-O 3.08Å; T334-V343 VanDerWaalsContact OG1-C 3.3Å; T334-V343 PolarHBondContact OG1-O 3.15Å; P341-V343 PolarHBondContact O-N 2.72Å |
| 344 | H | 89.4 | Confident | 72.5 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 11% | 0.111 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 142 | -177.7 | -48.8 | 101.1 | 0 | 0 | 0 | 111.4 | F319 A331 V332 D342 F346 | F319-H344 AromaticContact CE1-CD2 3.58Å; F319-H344 AromaticContact CE1-NE2 3.53Å; F319-H344 AromaticContact CZ-CD2 3.9Å; F319-H344 AromaticContact CZ-CE1 3.93Å; F319-H344 AromaticContact CZ-NE2 3.73Å; A331-H344 HydrophobicContact CB-CB 4.47Å; V332-H344 CarbonylContact O-C 3.59Å; V332-H344 WeakPolarHBondContact O-CA 3.49Å; V332-H344 WeakPolarHBondContact O-CB 3.25Å; D342-H344 VanDerWaalsContact C-N 3.3Å; D342-H344 PolarHBondContact O-N 2.86Å; H344-F346 HydrophobicContact CB-CE1 4.19Å; H344-F346 HydrophobicContact CB-CE2 4.28Å; H344-F346 HydrophobicContact CB-CZ 3.89Å |
| 345 | Y | 91.8 | Very high | 70.2 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 137.7 | 161.2 | -60.5 | -52.2 | 0 | 0 | 0 | 109.8 | D311 A331 V332 T334 | D311-Y345 HydrophobicContact CB-CD2 4.28Å; A331-Y345 WeakPolarHBondContact CA-O 3.18Å; V332-Y345 HydrophobicContact CG2-CD2 4.39Å; V332-Y345 PolarHBondContact N-O 3.4Å; V332-Y345 PolarHBondContact O-N 2.77Å; T334-Y345 HydrophobicContact CG2-CD1 4.02Å; T334-Y345 HydrophobicContact CG2-CD2 4.05Å; T334-Y345 HydrophobicContact CG2-CE1 3.89Å; T334-Y345 HydrophobicContact CG2-CE2 3.94Å; T334-Y345 HydrophobicContact CG2-CG 4.09Å |
| 346 | F | 94.2 | Very high | 68.2 | Low | 8 Ų | 8 | 82.3 Ų | 82.3 | 4% | 0.035 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.2 | -179.2 | -63.8 | -72.8 | 0 | 0 | 0 | 111.2 | L6 P8 L15 M55 L330 A331 H344 | L6-F346 HydrophobicContact CB-CB 4.04Å; L6-F346 PolarHBondContact N-O 2.75Å; P8-F346 HydrophobicContact CB-CD2 4.09Å; P8-F346 HydrophobicContact CB-CE2 4.1Å; P8-F346 HydrophobicContact CG-CD2 4.17Å; P8-F346 HydrophobicContact CG-CE2 4.3Å; L15-F346 HydrophobicContact CB-CE1 4.12Å; L15-F346 HydrophobicContact CB-CZ 4.04Å; L15-F346 HydrophobicContact CD1-CZ 4.49Å; L15-F346 HydrophobicContact CD2-CD1 4.33Å; L15-F346 HydrophobicContact CD2-CE1 3.59Å; L15-F346 HydrophobicContact CD2-CZ 4.12Å; L15-F346 HydrophobicContact CG-CE1 4.33Å; L15-F346 HydrophobicContact CG-CZ 4.43Å; M55-F346 HydrophobicContact SD-CG 4.44Å; L330-F346 CarbonylContact O-C 3.12Å; L330-F346 WeakPolarHBondContact O-CA 3.48Å; A331-F346 HydrophobicContact CB-CD1 3.71Å; A331-F346 HydrophobicContact CB-CE1 3.67Å; H344-F346 HydrophobicContact CB-CE1 4.19Å; H344-F346 HydrophobicContact CB-CE2 4.28Å; H344-F346 HydrophobicContact CB-CZ 3.89Å |
| 347 | Y | 95.9 | Very high | 66.7 | Low | 10 Ų | 10 | 83 Ų | 83 | 4% | 0.039 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 135.7 | 179.7 | -61.3 | -92 | 0 | 0 | 0 | 111.1 | L3 Q4 A5 T309 D311 I312 L330 V332 | L3-Y347 HydrophobicContact CD1-CD1 4.16Å; L3-Y347 HydrophobicContact CD1-CG 4.27Å; L3-Y347 HydrophobicContact CG-CD1 4.35Å; Q4-Y347 CarbonylContact O-C 3.53Å; Q4-Y347 WeakPolarHBondContact O-CA 3.43Å; A5-Y347 HydrophobicContact CB-CD1 3.97Å; A5-Y347 HydrophobicContact CB-CE1 3.86Å; T309-Y347 HydrophobicContact CG2-CE1 3.87Å; T309-Y347 PolarHBondContact OG1-OH 3.46Å; D311-Y347 PolarHBondContact OD2-OH 2.97Å; I312-Y347 HydrophobicContact CD1-CD1 4Å; I312-Y347 HydrophobicContact CD1-CD2 3.73Å; I312-Y347 HydrophobicContact CD1-CE1 4.07Å; I312-Y347 HydrophobicContact CD1-CE2 3.78Å; I312-Y347 HydrophobicContact CD1-CG 3.84Å; I312-Y347 HydrophobicContact CG1-CD2 3.98Å; I312-Y347 HydrophobicContact CG1-CE2 3.65Å; L330-Y347 PolarHBondContact N-O 3.27Å; L330-Y347 PolarHBondContact O-N 2.84Å; V332-Y347 HydrophobicContact CG2-CE2 3.91Å |
| 348 | H | 95.5 | Very high | 65.4 | Low | 31 Ų | 31 | 84 Ų | 84 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121 | 168.8 | -172.2 | -107 | 0 | 0 | 0 | 109.5 | Q4 L6 C327 | Q4-H348 HydrophobicContact CB-CB 4.44Å; Q4-H348 PolarHBondContact N-O 2.91Å; Q4-H348 PolarHBondContact O-N 2.66Å; L6-H348 HydrophobicContact CD1-CB 4.11Å; L6-H348 HydrophobicContact CD2-CB 4.06Å; L6-H348 HydrophobicContact CG-CB 4.16Å; C327-H348 WeakPolarHBondContact CB-NE2 3.46Å |
| 349 | V | 95.4 | Very high | 64.4 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.4 | 173.5 | -163.4 | 0 | 0 | 0 | 0 | 108.1 | T2 L3 L275 P306 C327 I328 L330 F351 | T2-V349 WeakPolarHBondContact O-CA 3.22Å; L3-V349 HydrophobicContact CD1-CG2 3.84Å; L275-V349 HydrophobicContact CD2-CB 4.45Å; L275-V349 HydrophobicContact CD2-CG1 4.41Å; L275-V349 HydrophobicContact CD2-CG2 4.19Å; P306-V349 HydrophobicContact CB-CG1 4.44Å; P306-V349 HydrophobicContact CG-CG1 4Å; C327-V349 CarbonylContact C-O 3.59Å; C327-V349 VanDerWaalsContact CA-O 3.26Å; C327-V349 WeakPolarHBondContact CA-O 3.26Å; I328-V349 HydrophobicContact CB-CB 4.4Å; I328-V349 PolarHBondContact N-O 3.37Å; I328-V349 PolarHBondContact O-N 3.24Å; L330-V349 HydrophobicContact CB-CG2 4.37Å; L330-V349 HydrophobicContact CD2-CG2 4.49Å; V349-F351 HydrophobicContact CB-CE2 4.11Å; V349-F351 HydrophobicContact CG1-CD2 4.32Å; V349-F351 HydrophobicContact CG1-CE1 4.48Å; V349-F351 HydrophobicContact CG1-CE2 3.5Å; V349-F351 VanDerWaalsContact CG1-CE2 3.5Å; V349-F351 HydrophobicContact CG1-CZ 3.59Å |
| 350 | S | 94 | Very high | 63.3 | Low | 26 Ų | 26 | 89.9 Ų | 89.9 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.3 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 112 | M1 T2 C327 | M1-S350 CarbonylContact C-O 3.56Å; M1-S350 VanDerWaalsContact CA-O 3.27Å; M1-S350 WeakPolarHBondContact CA-O 3.33Å; T2-S350 PolarHBondContact N-O 2.69Å; T2-S350 PolarHBondContact O-N 3.43Å; C327-S350 PolarHBondContact SG-OG 3.03Å |
| 351 | F | 89.9 | Confident | 62.1 | Low | 5 Ų | 5 | 94.9 Ų | 94.9 | 2% | 0.022 | 47% | 0.471 | C | S | . | . | trans | -98.6 | 92 | 174.7 | -58.4 | -91 | 0 | 0 | 0 | 108.3 | M1 T264 I273 L275 L303 G326 I328 V349 Q353 | M1-F351 HydrophobicContact CG-CD1 3.61Å; M1-F351 HydrophobicContact CG-CE1 4.2Å; M1-F351 HydrophobicContact CG-CG 4.38Å; M1-F351 HydrophobicContact SD-CD1 3.43Å; M1-F351 WeakPolarHBondContact SD-CD1 3.48Å; M1-F351 HydrophobicContact SD-CE1 3.62Å; T264-F351 HydrophobicContact CG2-CD2 4.36Å; I273-F351 HydrophobicContact CD1-CB 3.36Å; I273-F351 HydrophobicContact CD1-CD1 3.55Å; I273-F351 HydrophobicContact CD1-CD2 4.3Å; I273-F351 HydrophobicContact CD1-CE1 4.44Å; I273-F351 HydrophobicContact CD1-CG 3.47Å; I273-F351 VanDerWaalsContact CD1-CG 3.47Å; I273-F351 HydrophobicContact CG2-CD1 4Å; I273-F351 HydrophobicContact CG2-CD2 4.32Å; I273-F351 HydrophobicContact CG2-CE1 3.86Å; I273-F351 HydrophobicContact CG2-CE2 4.19Å; I273-F351 HydrophobicContact CG2-CG 4.25Å; I273-F351 HydrophobicContact CG2-CZ 3.97Å; L275-F351 HydrophobicContact CD1-CZ 4.03Å; L275-F351 HydrophobicContact CD2-CE2 4.21Å; L275-F351 HydrophobicContact CD2-CZ 4.12Å; L275-F351 HydrophobicContact CG-CZ 4.49Å; L303-F351 HydrophobicContact CD2-CD1 3.92Å; L303-F351 HydrophobicContact CD2-CE1 4.08Å; G326-F351 WeakPolarHBondContact O-CA 3.5Å; G326-F351 VanDerWaalsContact O-CB 3.28Å; G326-F351 WeakPolarHBondContact O-CB 3.5Å; G326-F351 WeakPolarHBondContact O-CD2 3.4Å; G326-F351 PolarHBondContact O-N 2.68Å; I328-F351 HydrophobicContact CD1-CE2 4.2Å; V349-F351 HydrophobicContact CB-CE2 4.11Å; V349-F351 HydrophobicContact CG1-CD2 4.32Å; V349-F351 HydrophobicContact CG1-CE1 4.48Å; V349-F351 HydrophobicContact CG1-CE2 3.5Å; V349-F351 VanDerWaalsContact CG1-CE2 3.5Å; V349-F351 HydrophobicContact CG1-CZ 3.59Å; F351-Q353 PolarHBondContact O-N 3.35Å | ||
| 352 | Q | 69.4 | Low | 60.7 | Low | 136 Ų | 136 | 93.7 Ų | 93.7 | 64% | 0.636 | 48% | 0.477 | S | S | * | . | trans | -49.1 | 124.6 | 180 | -71.6 | 160 | -71.2 | 0 | 0 | 110.9 | ||||
| 353 | Q | 57.3 | Low | 59 | Low | 96 Ų | 96 | 98.3 Ų | 98.3 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | trans | -62.6 | 147.1 | 153.6 | -68.6 | 171.2 | -7.4 | 0 | 0 | 108.7 | F351 K355 | F351-Q353 PolarHBondContact O-N 3.35Å; Q353-K355 PolarHBondContact O-N 3.22Å | ||
| 354 | E | 37.6 | Very low | 56.4 | Low | 195 Ų | 195 | 104.2 Ų | 104.2 | 91% | 0.911 | 53% | 0.53 | S | S | * | . | trans | -65 | 88.8 | 156.9 | -69.1 | 171.9 | 141 | 0 | 0 | 107.6 | ||||
| 355 | K | 35 | Very low | 53.1 | Low | 180 Ų | 180 | 106.8 Ų | 106.8 | 78% | 0.783 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 132.3 | 158.2 | -67.8 | -175.3 | 177.7 | -177.5 | 0 | 106.7 | Q353 S357 | Q353-K355 PolarHBondContact O-N 3.22Å; K355-S357 PolarHBondContact O-N 3.28Å |
| 356 | E | 27.2 | Very low | 50 | Low | 196 Ų | 196 | 109.9 Ų | 109.9 | 92% | 0.916 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 137.5 | 167.5 | -66.4 | -178.7 | 131.8 | 0 | 0 | 109.1 | N358 | E356-N358 PolarHBondContact O-N 3.03Š|
| 357 | S | 24.2 | Very low | 46.8 | Very low | 96 Ų | 96 | 115.3 Ų | 115.3 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 119.2 | -159.4 | 51 | 0 | 0 | 0 | 0 | 113.3 | K355 | K355-S357 PolarHBondContact O-N 3.28Š|
| 358 | N | 25.8 | Very low | 43.6 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 90% | 0.898 | 66% | 0.657 | S | S | * | * | trans | -115.6 | 108.4 | 141.7 | -90 | -20.2 | 0 | 0 | 0 | 106.8 | E356 | E356-N358 PolarHBondContact O-N 3.03Š| ||
| 359 | E | 29.2 | Very low | 40.2 | Very low | 174 Ų | 174 | 128.4 Ų | 128.4 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | trans | -84.6 | 142.8 | 179.9 | -56.1 | 177.8 | 131.8 | 0 | 0 | 110.2 | ||||
| 360 | E | 28.6 | Very low | 36.9 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | trans | 172.7 | 86.6 | 150.9 | -99.9 | 169.5 | -151.5 | 0 | 0 | 105.1 | ||||
| 361 | E | 27.6 | Very low | 33.5 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 92% | 0.921 | 74% | 0.743 | S | S | * | * | 87.1 | 126.4 | 84.8 | -170.3 | 174.7 | -113.9 | 0 | 0 | 111.8 | |||||
| 362 | G | 25.3 | Very low | 30.4 | Very low | 75 Ų | 75 | 143.1 Ų | 143.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 159.8 | 92.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 363 | T | 24.4 | Very low | 28.4 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -96.6 | -173.6 | -169.9 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 364 | Q | 25.8 | Very low | 27 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 88.1 | 151.5 | 162.3 | -153.7 | 172.6 | 13.9 | 0 | 0 | 117.6 | ||||
| 365 | A | 21.3 | Very low | 26.4 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | -177.9 | 148.9 | -75.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 366 | C | 25.4 | Very low | 26.1 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 66.7 | 160.3 | 174.5 | -53.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 367 | S | 28 | Very low | 26.1 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | cis | -143.4 | 170.6 | 17.7 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 368 | Q | 27.7 | Very low | 26.6 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -85 | 175.1 | 170 | -72.3 | 162.9 | -96.2 | 0 | 0 | 112.1 | ||||
| 369 | E | 25.2 | Very low | 26.8 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | cis | -131.1 | -126.3 | 9.8 | -154.9 | 83.8 | -90.2 | 0 | 0 | 111.7 | ||||
| 370 | S | 25.3 | Very low | 26.7 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -154.7 | 165.9 | 7.1 | 70.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 371 | T | 23.1 | Very low | 26.5 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -54.1 | 163.9 | 164.3 | 45.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 372 | D | 24.6 | Very low | 27.1 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | cis | -161.2 | 169.5 | 9.5 | -113.1 | -17 | 0 | 0 | 0 | 113.7 | ||||
| 373 | Y | 28.3 | Very low | 27.4 | Very low | 205 Ų | 205 | 137.8 Ų | 137.8 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 11.5 | 148.9 | 159.9 | -66.3 | -85.5 | 0 | 0 | 0 | 122.5 | ||||
| 374 | D | 28 | Very low | 28 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | -163.7 | -165.8 | 61.4 | -150.7 | -18 | 0 | 0 | 0 | 115.7 | |||||
| 375 | N | 25.3 | Very low | 28.4 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -79.2 | 137.3 | -153.6 | -88.2 | -81.3 | 0 | 0 | 0 | 120.7 | ||||
| 376 | S | 29 | Very low | 28.8 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 17.4 | 144.7 | 135.2 | 71.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 377 | T | 26.9 | Very low | 29 | Very low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | -157.6 | 157 | 127.5 | 5.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 378 | P | 34 | Very low | 29.1 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -106.6 | 136 | -167.5 | 37.4 | -30.3 | 0 | 0 | 0 | 115.3 | ||||
| 379 | L | 29.8 | Very low | 29.3 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -146.4 | 123.9 | 159 | -63.6 | 173.6 | 0 | 0 | 0 | 104.9 | ||||
| 380 | E | 27.1 | Very low | 29.5 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | cis | 88.3 | 114.2 | 48.8 | -163.5 | 162.8 | -117.3 | 0 | 0 | 112.7 | ||||
| 381 | D | 24.9 | Very low | 29.8 | Very low | 143 Ų | 143 | 146.6 Ų | 146.6 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | 48.5 | 112 | 178.3 | -95.8 | -32.8 | 0 | 0 | 0 | 123.4 | ||||
| 382 | S | 40.8 | Very low | 30.1 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | 38.8 | 107.9 | 113.7 | -47.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 383 | E | 31.4 | Very low | 30.4 | Very low | 170 Ų | 170 | 153 Ų | 153 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -150.9 | 135.1 | 143.7 | 50.5 | -173.8 | 161.1 | 0 | 0 | 114.3 | L385 | E383-L385 HydrophobicContact CG-CD2 4.27Š| ||
| 384 | E | 35.4 | Very low | 30.6 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -81.4 | 110.3 | 169.5 | -65.5 | -172.3 | 137.9 | 0 | 0 | 109.3 | Y386 | E384-Y386 PolarHBondContact O-N 3.12Š| ||
| 385 | L | 34.8 | Very low | 30.6 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | trans | -72.5 | 90.5 | -174.3 | -69.9 | -178 | 0 | 0 | 0 | 113.9 | E383 F387 | E383-L385 HydrophobicContact CG-CD2 4.27Å; L385-F387 PolarHBondContact O-N 3.26Å | ||
| 386 | Y | 29.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 155.3 Ų | 155.3 | 58% | 0.584 | 80% | 0.798 | S | S | * | * | trans | -61.1 | 118.4 | 159.2 | -130.5 | -102.4 | 0 | 0 | 0 | 109.5 | N173 E384 G388 | N173-Y386 HydrophobicContact CB-CE2 3.96Å; N173-Y386 VanDerWaalsContact ND2-CZ 3.28Å; N173-Y386 PolarHBondContact ND2-OH 2.91Å; E384-Y386 PolarHBondContact O-N 3.12Å; Y386-G388 VanDerWaalsContact C-N 3.27Å; Y386-G388 PolarHBondContact O-N 3.32Å | ||
| 387 | F | 30.9 | Very low | 30.8 | Very low | 198 Ų | 198 | 156.4 Ų | 156.4 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -77 | 80.9 | 172.1 | -77.8 | -79.1 | 0 | 0 | 0 | 111.1 | L385 | L385-F387 PolarHBondContact O-N 3.26Š| ||
| 388 | G | 28.8 | Very low | 31.1 | Very low | 67 Ų | 67 | 154.2 Ų | 154.2 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -59.4 | 150.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y386 | Y386-G388 VanDerWaalsContact C-N 3.27Å; Y386-G388 PolarHBondContact O-N 3.32Å | ||
| 389 | R | 33.3 | Very low | 31.1 | Very low | 243 Ų | 243 | 156 Ų | 156 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -124.5 | 110.6 | -176.1 | -177 | -168.5 | -168.5 | -165 | 4.3 | 108.9 | ||||
| 390 | E | 27.7 | Very low | 31.2 | Very low | 187 Ų | 187 | 155.9 Ų | 155.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -112.4 | 161.3 | 170.2 | -69.2 | -147.5 | 132.6 | 0 | 0 | 111.6 | ||||
| 391 | P | 33.5 | Very low | 31.7 | Very low | 98 Ų | 98 | 156.5 Ų | 156.5 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -109.4 | -171 | -161.6 | 33.3 | -17.2 | 0 | 0 | 0 | 113.1 | ||||
| 392 | H | 28.6 | Very low | 32.2 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | 78.4 | 68.3 | 175.7 | -46.4 | -73.5 | 0 | 0 | 0 | 117.1 | ||||
| 393 | E | 30.6 | Very low | 32 | Very low | 198 Ų | 198 | 156 Ų | 156 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -131.3 | 98.7 | 130.1 | -72.1 | -162.7 | 161.1 | 0 | 0 | 108.7 | ||||
| 394 | L | 32.4 | Very low | 32.3 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -124.2 | 93.7 | 164.5 | -90.4 | 177.1 | 0 | 0 | 0 | 106.3 | ||||
| 395 | E | 28.6 | Very low | 32.6 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -147.1 | 154.2 | 162.6 | -134.5 | 163.3 | -143.7 | 0 | 0 | 110.2 | ||||
| 396 | N | 29.1 | Very low | 32.9 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -93.4 | 142.1 | -156.3 | -56.6 | -38.8 | 0 | 0 | 0 | 112.6 | ||||
| 397 | S | 28.1 | Very low | 33.6 | Very low | 119 Ų | 119 | 157 Ų | 157 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -132.6 | 115.3 | 147.4 | 50.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 398 | S | 33.5 | Very low | 34.1 | Very low | 96 Ų | 96 | 156 Ų | 156 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | -74.7 | 155.2 | 155.5 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 399 | D | 33.7 | Very low | 34.8 | Very low | 150 Ų | 150 | 160.2 Ų | 160.2 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | -172.8 | 159.2 | 104.2 | -83.7 | -9 | 0 | 0 | 0 | 109.3 | |||||
| 400 | D | 32.6 | Very low | 35.3 | Very low | 157 Ų | 157 | 155.1 Ų | 155.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -73.6 | 148.9 | 178.2 | -86.5 | -58 | 0 | 0 | 0 | 111.8 | ||||
| 401 | E | 38.1 | Very low | 36 | Very low | 196 Ų | 196 | 155.3 Ų | 155.3 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | -166.1 | 139.4 | 100.6 | -104.8 | -173.9 | -164.5 | 0 | 0 | 114.3 | |||||
| 402 | G | 35.4 | Very low | 36.3 | Very low | 75 Ų | 75 | 155.8 Ų | 155.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -50.4 | 138.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 403 | D | 37 | Very low | 36.8 | Very low | 162 Ų | 162 | 153.7 Ų | 153.7 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -122.3 | 132.6 | 143.1 | -131.9 | -22.9 | 0 | 0 | 0 | 107.3 | Y405 | D403-Y405 PolarHBondContact O-N 2.85Š| ||
| 404 | I | 36.8 | Very low | 37.2 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -81.6 | 111 | -161.5 | -61.7 | 172.7 | 0 | 0 | 0 | 111.1 | ||||
| 405 | Y | 41.8 | Very low | 37.2 | Very low | 211 Ų | 211 | 147.9 Ų | 147.9 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -69 | 137.5 | 164.8 | -108.6 | -106.8 | 0 | 0 | 0 | 110.6 | D403 | D403-Y405 PolarHBondContact O-N 2.85Š| ||
| 406 | N | 42.1 | Very low | 37.6 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 58% | 0.583 | 76% | 0.759 | S | S | * | * | trans | -107.1 | 96.8 | 177 | -166.1 | 73.1 | 0 | 0 | 0 | 109.7 | E408 | N406-E408 PolarHBondContact O-N 3.39Å; N406-E408 VanDerWaalsContact O-N 3.14Å | ||
| 407 | E | 44.3 | Very low | 37.7 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -70.9 | -3.2 | -172.6 | -59.9 | -176.9 | 163.3 | 0 | 0 | 114.3 | D409 | E407-D409 VanDerWaalsContact C-N 3.26Å; E407-D409 PolarHBondContact O-N 3.11Å |
| 408 | E | 39.5 | Very low | 37.9 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -75.8 | -4.6 | -178.1 | -59.3 | -169.5 | 145.5 | 0 | 0 | 114.9 | N406 | N406-E408 PolarHBondContact O-N 3.39Å; N406-E408 VanDerWaalsContact O-N 3.14Å |
| 409 | D | 44 | Very low | 38.4 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -101.4 | 8.5 | 179.5 | -120 | 11 | 0 | 0 | 0 | 112.9 | E407 E411 | E407-D409 VanDerWaalsContact C-N 3.26Å; E407-D409 PolarHBondContact O-N 3.11Å; D409-E411 PolarHBondContact O-N 3.44Å |
| 410 | E | 45.1 | Very low | 38.8 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | -74.8 | 106.3 | 173.9 | -71.4 | -77.6 | 139.6 | 0 | 0 | 111.3 | D412 | E410-D412 PolarHBondContact O-N 3.35Š| ||
| 411 | E | 42.4 | Very low | 39.4 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -68.6 | 94 | 168.6 | -77.6 | -169.6 | 135.6 | 0 | 0 | 110.8 | D409 E413 | D409-E411 PolarHBondContact O-N 3.44Å; E411-E413 PolarHBondContact O-N 3.15Å; E411-E413 VanDerWaalsContact O-N 3.08Å | ||
| 412 | D | 39 | Very low | 40 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 58% | 0.578 | 71% | 0.712 | S | S | * | * | trans | 8.8 | 82.3 | 168.5 | -173.1 | 6.3 | 0 | 0 | 0 | 116.1 | E410 S414 Q415 | E410-D412 PolarHBondContact O-N 3.35Å; D412-S414 PolarHBondContact O-N 3.05Å; D412-S414 WeakPolarHBondContact OD1-CB 3.44Å; D412-S414 PolarHBondContact OD1-N 3.23Å; D412-S414 VanDerWaalsContact OD1-N 3.13Å; D412-S414 PolarHBondContact OD1-OG 3.23Å; D412-S414 PolarHBondContact OD2-OG 3.25Å; D412-Q415 PolarHBondContact O-N 3.3Å | ||
| 413 | E | 39.4 | Very low | 40.8 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 59% | 0.593 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -60.8 | -4.4 | 178.6 | -73.6 | -149.6 | 131.2 | 0 | 0 | 113.9 | E411 Q415 T416 | E411-E413 PolarHBondContact O-N 3.15Å; E411-E413 VanDerWaalsContact O-N 3.08Å; E413-Q415 PolarHBondContact O-N 3.43Å; E413-T416 PolarHBondContact O-N 2.76Å; E413-T416 VanDerWaalsContact O-N 3.17Å; E413-T416 PolarHBondContact O-OG1 2.94Å |
| 414 | S | 38.2 | Very low | 41.3 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -61.4 | -16.9 | 177.3 | 74.6 | 0 | 0 | 0 | 0 | 114 | D412 | D412-S414 PolarHBondContact O-N 3.05Å; D412-S414 WeakPolarHBondContact OD1-CB 3.44Å; D412-S414 PolarHBondContact OD1-N 3.23Å; D412-S414 VanDerWaalsContact OD1-N 3.13Å; D412-S414 PolarHBondContact OD1-OG 3.23Å; D412-S414 PolarHBondContact OD2-OG 3.25Å |
| 415 | Q | 33.5 | Very low | 42.1 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -85.9 | -16.4 | 178.1 | -63.1 | -67 | -44.6 | 0 | 0 | 114.8 | D412 E413 | D412-Q415 PolarHBondContact O-N 3.3Å; E413-Q415 PolarHBondContact O-N 3.43Å |
| 416 | T | 36.2 | Very low | 42.7 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | trans | -105.6 | 20.3 | -172.2 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | E413 Y418 | E413-T416 PolarHBondContact O-N 2.76Å; E413-T416 VanDerWaalsContact O-N 3.17Å; E413-T416 PolarHBondContact O-OG1 2.94Å; T416-Y418 PolarHBondContact O-N 2.87Å | ||
| 417 | G | 30.4 | Very low | 43.1 | Very low | 62 Ų | 62 | 130.6 Ų | 130.6 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | trans | -69.4 | 88.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | W419 | G417-W419 PolarHBondContact O-N 3.1Š| ||
| 418 | Y | 32.7 | Very low | 43.4 | Very low | 196 Ų | 196 | 125.7 Ų | 125.7 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | trans | -67.4 | 102.6 | 168.2 | -87.8 | -57.4 | 0 | 0 | 0 | 112.2 | T416 | T416-Y418 PolarHBondContact O-N 2.87Š| ||
| 419 | W | 45.3 | Very low | 43.9 | Very low | 228 Ų | 228 | 120.3 Ų | 120.3 | 86% | 0.864 | 62% | 0.624 | S | S | * | * | trans | 66.2 | 68.5 | 156.8 | -44.3 | 117 | 0 | 0 | 0 | 118.7 | G417 | G417-W419 PolarHBondContact O-N 3.1Š| ||
| 420 | I | 40.7 | Very low | 44.1 | Very low | 138 Ų | 138 | 117.1 Ų | 117.1 | 71% | 0.708 | 61% | 0.612 | S | S | * | * | trans | -115.7 | 58.2 | 170.7 | -40.9 | -179 | 0 | 0 | 0 | 112.9 | P430 | I420-P430 HydrophobicContact CG2-CG 4.42Š| ||
| 421 | K | 44.7 | Very low | 43.9 | Very low | 182 Ų | 182 | 117.6 Ų | 117.6 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | trans | -145.2 | 102.9 | 160.6 | -72.8 | -163 | 177.1 | 178 | 0 | 111.8 | ||||
| 422 | C | 50.8 | Low | 44 | Very low | 24 Ų | 24 | 113.6 Ų | 113.6 | 16% | 0.162 | 61% | 0.608 | C | S | . | * | S | Bend | trans | -77.1 | -25.6 | 177.1 | -171.7 | 0 | 0 | 0 | 0 | 113.5 | C426 H459 | C422-C426 HydrophobicContact CB-CB 4.18Å; C422-H459 PolarHBondContact SG-N 3.12Å; C422-H459 VanDerWaalsContact SG-N 3.41Å; C422-H459 PolarHBondContact SG-ND1 3.27Å |
| 423 | C | 54.1 | Low | 44 | Very low | 33 Ų | 33 | 113.5 Ų | 113.5 | 22% | 0.223 | 60% | 0.599 | C | S | . | * | S | Bend | trans | -168.8 | 175.5 | 171.4 | 60.2 | 0 | 0 | 0 | 0 | 108.2 | G425 C426 D484 | C423-G425 PolarHBondContact O-N 3.22Å; C423-C426 PolarHBondContact SG-N 2.98Å; C423-C426 VanDerWaalsContact SG-N 3.37Å; C423-D484 VanDerWaalsContact CB-OD2 3.3Å; C423-D484 WeakPolarHBondContact CB-OD2 3.42Å |
| 424 | L | 47.3 | Very low | 43.7 | Very low | 169 Ų | 169 | 115.9 Ų | 115.9 | 89% | 0.885 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -10.2 | 176.9 | -80.7 | 168 | 0 | 0 | 0 | 114.6 | ||
| 425 | G | 53.1 | Low | 43.5 | Very low | 57 Ų | 57 | 113.5 Ų | 113.5 | 59% | 0.588 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 13 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C423 Q427 | C423-G425 PolarHBondContact O-N 3.22Å; G425-Q427 PolarHBondContact O-N 2.94Å; G425-Q427 VanDerWaalsContact O-N 3.13Å |
| 426 | C | 55.1 | Low | 43.4 | Very low | 49 Ų | 49 | 114.3 Ų | 114.3 | 33% | 0.331 | 60% | 0.601 | S | S | . | * | trans | -69 | 108.1 | -175.5 | -179.9 | 0 | 0 | 0 | 0 | 112 | C422 C423 | C422-C426 HydrophobicContact CB-CB 4.18Å; C423-C426 PolarHBondContact SG-N 2.98Å; C423-C426 VanDerWaalsContact SG-N 3.37Å | ||
| 427 | Q | 49.7 | Very low | 43.7 | Very low | 193 Ų | 193 | 117.1 Ų | 117.1 | 90% | 0.902 | 60% | 0.602 | S | S | * | * | trans | -100.5 | 15.3 | 176.1 | -63.1 | -170.2 | 0.2 | 0 | 0 | 114.2 | G425 D429 | G425-Q427 PolarHBondContact O-N 2.94Å; G425-Q427 VanDerWaalsContact O-N 3.13Å; Q427-D429 PolarHBondContact O-N 2.88Å | ||
| 428 | V | 51.2 | Low | 44.1 | Very low | 62 Ų | 62 | 116.7 Ų | 116.7 | 38% | 0.376 | 59% | 0.589 | S | S | . | * | trans | -73.2 | 115.4 | 172.9 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | W433 | V428-W433 HydrophobicContact CG1-CB 4.46Å; V428-W433 HydrophobicContact CG1-CG 4.3Å | ||
| 429 | D | 49.2 | Very low | 44.8 | Very low | 65 Ų | 65 | 113.3 Ų | 113.3 | 35% | 0.348 | 59% | 0.589 | S | S | . | * | trans | -70.5 | 123.9 | 168.7 | 166.7 | 27.2 | 0 | 0 | 0 | 109.7 | Q427 N431 T432 | Q427-D429 PolarHBondContact O-N 2.88Å; D429-N431 PolarHBondContact O-N 3.48Å; D429-N431 VanDerWaalsContact O-N 3.17Å; D429-N431 PolarHBondContact OD1-N 2.82Å; D429-N431 PolarHBondContact OD1-ND2 3.45Å; D429-T432 WeakPolarHBondContact CB-OG1 3.21Å; D429-T432 WeakPolarHBondContact OD2-CB 3.48Å; D429-T432 VanDerWaalsContact OD2-CG2 3.27Å; D429-T432 WeakPolarHBondContact OD2-CG2 3.26Å; D429-T432 PolarHBondContact OD2-N 2.76Å; D429-T432 PolarHBondContact OD2-OG1 2.86Å | ||
| 430 | P | 47.9 | Very low | 44.7 | Very low | 88 Ų | 88 | 110.7 Ų | 110.7 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -24.2 | 177.2 | -25.1 | 35.2 | 0 | 0 | 0 | 114.6 | I420 | I420-P430 HydrophobicContact CG2-CG 4.42Š|
| 431 | N | 41.8 | Very low | 44.6 | Very low | 145 Ų | 145 | 110.9 Ų | 110.9 | 78% | 0.775 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -10.5 | -168.9 | -56.1 | -62 | 0 | 0 | 0 | 114.8 | D429 | D429-N431 PolarHBondContact O-N 3.48Å; D429-N431 VanDerWaalsContact O-N 3.17Å; D429-N431 PolarHBondContact OD1-N 2.82Å; D429-N431 PolarHBondContact OD1-ND2 3.45Å |
| 432 | T | 44.1 | Very low | 44.4 | Very low | 109 Ų | 109 | 110.1 Ų | 110.1 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -121.9 | 17.2 | -178.4 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | D429 E434 | D429-T432 WeakPolarHBondContact CB-OG1 3.21Å; D429-T432 WeakPolarHBondContact OD2-CB 3.48Å; D429-T432 VanDerWaalsContact OD2-CG2 3.27Å; D429-T432 WeakPolarHBondContact OD2-CG2 3.26Å; D429-T432 PolarHBondContact OD2-N 2.76Å; D429-T432 PolarHBondContact OD2-OG1 2.86Å; T432-E434 PolarHBondContact O-N 3.42Å |
| 433 | W | 38.2 | Very low | 44 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 40% | 0.398 | 62% | 0.619 | S | S | . | * | trans | -85.2 | 102.4 | -175.1 | -174 | 74.8 | 0 | 0 | 0 | 113.7 | V428 P435 P444 | V428-W433 HydrophobicContact CG1-CB 4.46Å; V428-W433 HydrophobicContact CG1-CG 4.3Å; W433-P435 HydrophobicContact CE3-CG 4.44Å; W433-P435 HydrophobicContact CH2-CB 3.56Å; W433-P435 HydrophobicContact CH2-CG 3.95Å; W433-P435 HydrophobicContact CZ2-CB 3.77Å; W433-P435 HydrophobicContact CZ3-CB 4.01Å; W433-P435 HydrophobicContact CZ3-CG 3.89Å; W433-P444 HydrophobicContact CH2-CB 4.01Å | ||
| 434 | E | 33.4 | Very low | 43.5 | Very low | 177 Ų | 177 | 121.7 Ų | 121.7 | 83% | 0.827 | 63% | 0.633 | S | S | * | * | trans | -94.9 | 121.9 | 162.3 | -70.5 | -166.1 | 154 | 0 | 0 | 111.3 | T432 | T432-E434 PolarHBondContact O-N 3.42Š| ||
| 435 | P | 34.5 | Very low | 43.9 | Very low | 37 Ų | 37 | 116.1 Ų | 116.1 | 24% | 0.24 | 61% | 0.611 | C | S | . | * | trans | -73.4 | 133.7 | 175.9 | 23.4 | -30.5 | 0 | 0 | 0 | 113.9 | W433 Y437 | W433-P435 HydrophobicContact CE3-CG 4.44Å; W433-P435 HydrophobicContact CH2-CB 3.56Å; W433-P435 HydrophobicContact CH2-CG 3.95Å; W433-P435 HydrophobicContact CZ2-CB 3.77Å; W433-P435 HydrophobicContact CZ3-CB 4.01Å; W433-P435 HydrophobicContact CZ3-CG 3.89Å; P435-Y437 HydrophobicContact CB-CE1 4.4Å; P435-Y437 HydrophobicContact CB-CE2 4.39Å; P435-Y437 HydrophobicContact CG-CD2 4.26Å; P435-Y437 HydrophobicContact CG-CE1 3.96Å; P435-Y437 HydrophobicContact CG-CE2 3.62Å; P435-Y437 VanDerWaalsContact CG-CZ 3.44Å; P435-Y437 WeakPolarHBondContact O-CD2 3.28Å; P435-Y437 PolarHBondContact O-N 3.16Å | ||
| 436 | L | 32 | Very low | 44 | Very low | 180 Ų | 180 | 116.9 Ų | 116.9 | 94% | 0.942 | 60% | 0.6 | S | S | * | * | trans | -72.5 | 103.7 | 156.9 | -114.1 | 75.7 | 0 | 0 | 0 | 109 | ||||
| 437 | Y | 42.5 | Very low | 44.2 | Very low | 161 Ų | 161 | 116 Ų | 116 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | trans | -79 | 153.3 | -179.5 | -70.9 | -76.4 | 0 | 0 | 0 | 113.8 | P435 | P435-Y437 HydrophobicContact CB-CE1 4.4Å; P435-Y437 HydrophobicContact CB-CE2 4.39Å; P435-Y437 HydrophobicContact CG-CD2 4.26Å; P435-Y437 HydrophobicContact CG-CE1 3.96Å; P435-Y437 HydrophobicContact CG-CE2 3.62Å; P435-Y437 VanDerWaalsContact CG-CZ 3.44Å; P435-Y437 WeakPolarHBondContact O-CD2 3.28Å; P435-Y437 PolarHBondContact O-N 3.16Å | ||
| 438 | S | 38.4 | Very low | 44.7 | Very low | 52 Ų | 52 | 110.8 Ų | 110.8 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | trans | -115.3 | 159.4 | 135.8 | 78.7 | 0 | 0 | 0 | 0 | 109.9 | E440 E467 | S438-E440 PolarHBondContact O-N 3.19Å; S438-E467 WeakPolarHBondContact CB-OE1 3.35Å; S438-E467 PolarHBondContact OG-OE1 3.06Å | ||
| 439 | T | 45.9 | Very low | 45.4 | Very low | 125 Ų | 125 | 107.9 Ų | 107.9 | 77% | 0.767 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4 | -138.2 | 44.4 | 0 | 0 | 0 | 0 | 117.5 | ||
| 440 | E | 44.6 | Very low | 45.8 | Very low | 173 Ų | 173 | 106.9 Ų | 106.9 | 81% | 0.808 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -6.1 | -167.2 | -64.7 | -170.7 | 163.4 | 0 | 0 | 116.1 | S438 | S438-E440 PolarHBondContact O-N 3.19Š|
| 441 | L | 37.6 | Very low | 46.3 | Very low | 142 Ų | 142 | 107.3 Ų | 107.3 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | trans | -134.5 | 105.8 | 178.3 | -69.2 | 174.6 | 0 | 0 | 0 | 112.3 | R443 | L441-R443 PolarHBondContact O-N 2.65Š| ||
| 442 | H | 41.1 | Very low | 47 | Very low | 167 Ų | 167 | 103.3 Ų | 103.3 | 77% | 0.773 | 53% | 0.532 | S | S | * | . | trans | -79.5 | 38.1 | -176.7 | -73.3 | 67.7 | 0 | 0 | 0 | 114.1 | ||||
| 443 | R | 42.3 | Very low | 47.2 | Very low | 221 Ų | 221 | 108 Ų | 108 | 83% | 0.834 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -150.1 | 151.4 | 175.6 | -72.3 | -165.5 | 178.9 | 178.2 | 0.4 | 111.3 | L441 | L441-R443 PolarHBondContact O-N 2.65Š|
| 444 | P | 44.7 | Very low | 48.1 | Very low | 79 Ų | 79 | 111.8 Ų | 111.8 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | trans | -61.9 | 139.5 | -178.1 | 24.3 | -34.7 | 0 | 0 | 0 | 113.2 | W433 M446 | W433-P444 HydrophobicContact CH2-CB 4.01Å; P444-M446 PolarHBondContact O-N 2.74Å | ||
| 445 | A | 54.4 | Low | 49.3 | Very low | 52 Ų | 52 | 104.5 Ų | 104.5 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | trans | -79.1 | 100.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A460 L470 | A445-A460 HydrophobicContact CB-CB 4.07Å; A445-A460 WeakPolarHBondContact O-CB 3.5Å; A445-A460 PolarHBondContact O-N 3.06Å; A445-L470 HydrophobicContact CB-CD1 4.38Å | ||
| 446 | M | 55.6 | Low | 50.7 | Low | 73 Ų | 73 | 105.7 Ų | 105.7 | 36% | 0.36 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 139.1 | 170.2 | -58.7 | -58.6 | -69.1 | 0 | 0 | 110.7 | P444 W457 V458 H459 | P444-M446 PolarHBondContact O-N 2.74Å; M446-W457 HydrophobicContact CB-CE3 3.76Å; M446-W457 HydrophobicContact CB-CZ3 4.3Å; M446-W457 HydrophobicContact CE-CB 3.87Å; M446-V458 WeakPolarHBondContact CA-O 3.38Å; M446-H459 PolarHBondContact SD-CD2 3.22Å |
| 447 | I | 60.1 | Low | 52.2 | Low | 30 Ų | 30 | 104.8 Ų | 104.8 | 15% | 0.154 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.9 | 173 | -65.9 | 169 | 0 | 0 | 0 | 110 | V458 L465 L470 L473 Y480 | I447-V458 PolarHBondContact N-O 2.88Å; I447-V458 PolarHBondContact O-N 2.95Å; I447-L465 HydrophobicContact CD1-CD1 3.55Å; I447-L470 HydrophobicContact CD1-CD2 3.54Å; I447-L473 HydrophobicContact CD1-CD1 4.14Å; I447-Y480 HydrophobicContact CB-CD1 4.42Å; I447-Y480 HydrophobicContact CG2-CD1 3.38Å; I447-Y480 HydrophobicContact CG2-CD2 4.25Å; I447-Y480 HydrophobicContact CG2-CE1 3.95Å; I447-Y480 HydrophobicContact CG2-CG 3.55Å |
| 448 | F | 59.7 | Low | 53.1 | Low | 84 Ų | 84 | 97.3 Ų | 97.3 | 37% | 0.368 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 120.7 | 175.9 | -172 | -108.4 | 0 | 0 | 0 | 111.6 | H456 W457 | F448-H456 CarbonylContact C-O 3.53Å; F448-H456 WeakPolarHBondContact CA-O 3.33Å; F448-H456 WeakPolarHBondContact CD2-O 3.41Å; F448-W457 HydrophobicContact CB-CD2 4.04Å; F448-W457 HydrophobicContact CB-CE3 3.87Å; F448-W457 HydrophobicContact CB-CH2 3.98Å; F448-W457 HydrophobicContact CB-CZ2 4.12Å; F448-W457 HydrophobicContact CB-CZ3 3.85Å; F448-W457 AromaticContact CD2-CD1 3.98Å; F448-W457 AromaticContact CD2-CD2 3.99Å; F448-W457 HydrophobicContact CD2-CD2 3.99Å; F448-W457 AromaticContact CD2-CE2 3.76Å; F448-W457 HydrophobicContact CD2-CG 4.14Å; F448-W457 HydrophobicContact CD2-CZ2 4.27Å; F448-W457 AromaticContact CD2-NE1 3.73Å; F448-W457 HydrophobicContact CG-CZ2 4.48Å |
| 449 | C | 64.8 | Low | 54.3 | Low | 0 Ų | 0 | 98.7 Ų | 98.7 | 0% | 0 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.4 | 168.9 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | K451 G455 H456 V458 Y480 C482 H485 | C449-K451 VanDerWaalsContact C-N 3.29Å; C449-K451 PolarHBondContact O-N 3.03Å; C449-G455 VanDerWaalsContact O-CA 3.31Å; C449-G455 WeakPolarHBondContact O-CA 3.48Å; C449-H456 PolarHBondContact N-O 2.96Å; C449-H456 PolarHBondContact O-N 3.04Å; C449-V458 HydrophobicContact CB-CG2 4.42Å; C449-Y480 HydrophobicContact CB-CD1 4.49Å; C449-C482 HydrophobicContact CB-CB 4.35Å; C449-C482 PolarHBondContact SG-N 3.1Å; C449-C482 VanDerWaalsContact SG-N 3.43Å; C449-C482 VanDerWaalsContact SG-SG 3.61Å; C449-H485 PolarHBondContact SG-ND1 3.06Å |
| 450 | S | 59.2 | Low | 55.1 | Low | 44 Ų | 44 | 93.2 Ų | 93.2 | 31% | 0.308 | 47% | 0.467 | S | S | . | . | trans | -90.4 | 36.7 | -175.5 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | Y480 | S450-Y480 PolarHBondContact N-O 3.25Š| ||
| 451 | K | 57.8 | Low | 55.8 | Low | 97 Ų | 97 | 90.5 Ų | 90.5 | 42% | 0.422 | 45% | 0.454 | S | S | . | . | trans | -125.9 | 146.3 | 178.3 | -124.6 | -169.6 | -176.6 | -169.5 | 0 | 109.6 | C449 F481 H485 | C449-K451 VanDerWaalsContact C-N 3.29Å; C449-K451 PolarHBondContact O-N 3.03Å; K451-F481 HydrophobicContact CB-CD1 3.99Å; K451-F481 HydrophobicContact CB-CE1 4.35Å; K451-F481 HydrophobicContact CD-CD1 3.95Å; K451-F481 HydrophobicContact CD-CE1 4.41Å; K451-F481 HydrophobicContact CG-CD1 3.86Å; K451-F481 HydrophobicContact CG-CE1 3.97Å; K451-H485 HydrophobicContact CB-CB 4.34Å; K451-H485 HydrophobicContact CD-CB 3.74Å; K451-H485 PolarHBondContact NZ-O 3.2Å; K451-H485 PolarHBondContact O-CE1 3.05Å | ||
| 452 | G | 56 | Low | 57 | Low | 61 Ų | 61 | 85.4 Ų | 85.4 | 63% | 0.629 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 100.1 | 177.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 453 | E | 49.2 | Very low | 58 | Low | 208 Ų | 208 | 78.4 Ų | 78.4 | 97% | 0.972 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -77.6 | -26.6 | -177.3 | -62.2 | -171 | 136.5 | 0 | 0 | 112.7 | ||
| 454 | E | 56.3 | Low | 58.9 | Low | 184 Ų | 184 | 76.9 Ų | 76.9 | 86% | 0.86 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -120.2 | -17.9 | 178.5 | -59.1 | -174.8 | 142.3 | 0 | 0 | 113.8 | ||
| 455 | G | 59.2 | Low | 59.8 | Low | 24 Ų | 24 | 74.9 Ų | 74.9 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | trans | 71.6 | 179.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | C449 | C449-G455 VanDerWaalsContact O-CA 3.31Å; C449-G455 WeakPolarHBondContact O-CA 3.48Å | ||
| 456 | H | 63 | Low | 60.3 | Low | 63 Ų | 63 | 75.3 Ų | 75.3 | 29% | 0.292 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 162.6 | 177.6 | 60.4 | -111.2 | 0 | 0 | 0 | 112.8 | F448 C449 V458 C482 H485 | F448-H456 CarbonylContact C-O 3.53Å; F448-H456 WeakPolarHBondContact CA-O 3.33Å; F448-H456 WeakPolarHBondContact CD2-O 3.41Å; C449-H456 PolarHBondContact N-O 2.96Å; C449-H456 PolarHBondContact O-N 3.04Å; H456-V458 WeakPolarHBondContact CD2-CG2 3.49Å; H456-V458 WeakPolarHBondContact NE2-CG2 3.48Å; H456-C482 VanDerWaalsContact CE1-SG 3.56Å; H456-C482 PolarHBondContact NE2-SG 2.64Å; H456-H485 AromaticContact CE1-CE1 3.39Å; H456-H485 PolarHBondContact CE1-CE1 3.46Å; H456-H485 AromaticContact CE1-ND1 3.58Å; H456-H485 AromaticContact ND1-CE1 3.8Å |
| 457 | W | 63 | Low | 60.4 | Low | 161 Ų | 161 | 76.8 Ų | 76.8 | 61% | 0.61 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 142.3 | 174 | -67.2 | 94 | 0 | 0 | 0 | 111.9 | M446 F448 | M446-W457 HydrophobicContact CB-CE3 3.76Å; M446-W457 HydrophobicContact CB-CZ3 4.3Å; M446-W457 HydrophobicContact CE-CB 3.87Å; F448-W457 HydrophobicContact CB-CD2 4.04Å; F448-W457 HydrophobicContact CB-CE3 3.87Å; F448-W457 HydrophobicContact CB-CH2 3.98Å; F448-W457 HydrophobicContact CB-CZ2 4.12Å; F448-W457 HydrophobicContact CB-CZ3 3.85Å; F448-W457 AromaticContact CD2-CD1 3.98Å; F448-W457 AromaticContact CD2-CD2 3.99Å; F448-W457 HydrophobicContact CD2-CD2 3.99Å; F448-W457 AromaticContact CD2-CE2 3.76Å; F448-W457 HydrophobicContact CD2-CG 4.14Å; F448-W457 HydrophobicContact CD2-CZ2 4.27Å; F448-W457 AromaticContact CD2-NE1 3.73Å; F448-W457 HydrophobicContact CG-CZ2 4.48Å |
| 458 | V | 61.7 | Low | 60.5 | Low | 3 Ų | 3 | 79.8 Ų | 79.8 | 2% | 0.018 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.2 | -179.3 | -164.1 | 0 | 0 | 0 | 0 | 110.3 | M446 I447 C449 H456 M463 C482 | M446-V458 WeakPolarHBondContact CA-O 3.38Å; I447-V458 PolarHBondContact N-O 2.88Å; I447-V458 PolarHBondContact O-N 2.95Å; C449-V458 HydrophobicContact CB-CG2 4.42Å; H456-V458 WeakPolarHBondContact CD2-CG2 3.49Å; H456-V458 WeakPolarHBondContact NE2-CG2 3.48Å; V458-M463 HydrophobicContact CB-CG 4.43Å; V458-M463 HydrophobicContact CG1-CG 3.52Å; V458-M463 HydrophobicContact CG1-SD 3.64Å; V458-C482 HydrophobicContact CG2-CB 4.15Å |
| 459 | H | 64 | Low | 60.7 | Low | 81 Ų | 81 | 79.3 Ų | 79.3 | 38% | 0.375 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.9 | 169 | -59.9 | 117.7 | 0 | 0 | 0 | 110.6 | C422 M446 Q461 C462 | C422-H459 PolarHBondContact SG-N 3.12Å; C422-H459 VanDerWaalsContact SG-N 3.41Å; C422-H459 PolarHBondContact SG-ND1 3.27Å; M446-H459 PolarHBondContact SD-CD2 3.22Å; H459-Q461 PolarHBondContact O-N 3.04Å; H459-Q461 VanDerWaalsContact O-N 3.12Å; H459-C462 HydrophobicContact CB-CB 4.33Å; H459-C462 PolarHBondContact O-N 2.74Å; H459-C462 VanDerWaalsContact O-N 3.1Å |
| 460 | A | 62.4 | Low | 60.5 | Low | 10 Ų | 10 | 81.3 Ų | 81.3 | 8% | 0.083 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -55.8 | -31.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A445 M463 L470 | A445-A460 HydrophobicContact CB-CB 4.07Å; A445-A460 WeakPolarHBondContact O-CB 3.5Å; A445-A460 PolarHBondContact O-N 3.06Å; A460-M463 WeakPolarHBondContact O-CB 3.32Å; A460-M463 PolarHBondContact O-N 2.83Å; A460-L470 HydrophobicContact CB-CD1 4.11Å; A460-L470 HydrophobicContact CB-CD2 3.84Å |
| 461 | Q | 59.6 | Low | 60.5 | Low | 116 Ų | 116 | 82.3 Ų | 82.3 | 54% | 0.542 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -73.2 | -29.4 | 179.9 | -172.9 | 173.1 | -2.5 | 0 | 0 | 113.6 | H459 M463 | H459-Q461 PolarHBondContact O-N 3.04Å; H459-Q461 VanDerWaalsContact O-N 3.12Å; Q461-M463 PolarHBondContact O-N 3.16Å; Q461-M463 VanDerWaalsContact O-N 3.1Å |
| 462 | C | 62.8 | Low | 60.6 | Low | 35 Ų | 35 | 83.9 Ų | 83.9 | 24% | 0.236 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -69 | -3.3 | 172.4 | -67.9 | 0 | 0 | 0 | 0 | 112.8 | H459 | H459-C462 HydrophobicContact CB-CB 4.33Å; H459-C462 PolarHBondContact O-N 2.74Å; H459-C462 VanDerWaalsContact O-N 3.1Å |
| 463 | M | 61.3 | Low | 60.7 | Low | 20 Ų | 20 | 83.2 Ų | 83.2 | 10% | 0.099 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -125.1 | 7.5 | -169.5 | -58.7 | -52.1 | -52.1 | 0 | 0 | 113.5 | V458 A460 Q461 L465 Y480 C482 L483 | V458-M463 HydrophobicContact CB-CG 4.43Å; V458-M463 HydrophobicContact CG1-CG 3.52Å; V458-M463 HydrophobicContact CG1-SD 3.64Å; A460-M463 WeakPolarHBondContact O-CB 3.32Å; A460-M463 PolarHBondContact O-N 2.83Å; Q461-M463 PolarHBondContact O-N 3.16Å; Q461-M463 VanDerWaalsContact O-N 3.1Å; M463-L465 HydrophobicContact CB-CD1 4.1Å; M463-L465 HydrophobicContact CB-CD2 4.29Å; M463-L465 HydrophobicContact CB-CG 3.77Å; M463-L465 WeakPolarHBondContact O-CD2 3.39Å; M463-L465 WeakPolarHBondContact O-CG 3.46Å; M463-L465 PolarHBondContact O-N 3.4Å; M463-Y480 WeakPolarHBondContact CE-OH 3.29Å; M463-Y480 WeakPolarHBondContact CG-OH 3.27Å; M463-C482 HydrophobicContact CE-CB 4.03Å; M463-C482 HydrophobicContact SD-CB 4.42Å; M463-L483 HydrophobicContact CE-CB 3.84Å; M463-L483 HydrophobicContact CE-CD1 3.57Å; M463-L483 HydrophobicContact CE-CG 3.5Å; M463-L483 VanDerWaalsContact CE-N 3.33Å; M463-L483 HydrophobicContact SD-CD1 4.39Å |
| 464 | E | 61.8 | Low | 61 | Low | 190 Ų | 190 | 78 Ų | 78 | 89% | 0.888 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 25.7 | 179.4 | -58.5 | -173.5 | 172.1 | 0 | 0 | 115.1 | S466 | E464-S466 PolarHBondContact O-N 3.12Š|
| 465 | L | 63.5 | Low | 60.6 | Low | 36 Ų | 36 | 76.6 Ų | 76.6 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | trans | -76.7 | 124 | -174.8 | -54.8 | 179.1 | 0 | 0 | 0 | 111.1 | I447 M463 L469 L470 Y480 | I447-L465 HydrophobicContact CD1-CD1 3.55Å; M463-L465 HydrophobicContact CB-CD1 4.1Å; M463-L465 HydrophobicContact CB-CD2 4.29Å; M463-L465 HydrophobicContact CB-CG 3.77Å; M463-L465 WeakPolarHBondContact O-CD2 3.39Å; M463-L465 WeakPolarHBondContact O-CG 3.46Å; M463-L465 PolarHBondContact O-N 3.4Å; L465-L469 HydrophobicContact CD2-CD2 3.86Å; L465-L470 HydrophobicContact CB-CD2 3.87Å; L465-L470 HydrophobicContact CB-CG 4.45Å; L465-L470 HydrophobicContact CD1-CD2 3.92Å; L465-Y480 HydrophobicContact CD1-CE2 3.94Å; L465-Y480 HydrophobicContact CD2-CE2 4.31Å | ||
| 466 | S | 64.4 | Low | 60.2 | Low | 61 Ų | 61 | 77 Ų | 77 | 43% | 0.427 | 40% | 0.399 | S | S | . | . | trans | -66.8 | 147.9 | 174.5 | 76.3 | 0 | 0 | 0 | 0 | 111.6 | E464 T468 L469 L470 | E464-S466 PolarHBondContact O-N 3.12Å; S466-T468 PolarHBondContact O-N 3.29Å; S466-T468 PolarHBondContact OG-OG1 3.45Å; S466-T468 VanDerWaalsContact OG-OG1 3.09Å; S466-L469 WeakPolarHBondContact O-CA 3.3Å; S466-L469 VanDerWaalsContact O-CB 3.22Å; S466-L469 WeakPolarHBondContact O-CB 3.28Å; S466-L469 PolarHBondContact O-N 3.04Å; S466-L469 PolarHBondContact OG-N 3.46Å; S466-L470 PolarHBondContact O-N 2.76Å | ||
| 467 | E | 58.6 | Low | 59.5 | Low | 105 Ų | 105 | 80.4 Ų | 80.4 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -49.9 | -45.3 | 174.9 | -172 | -157.1 | 165 | 0 | 0 | 112.4 | S438 L469 L470 V471 | S438-E467 WeakPolarHBondContact CB-OE1 3.35Å; S438-E467 PolarHBondContact OG-OE1 3.06Å; E467-L469 PolarHBondContact O-N 3.05Å; E467-L469 VanDerWaalsContact O-N 3.15Å; E467-L470 WeakPolarHBondContact O-CB 3.36Å; E467-L470 PolarHBondContact O-N 3.03Å; E467-V471 WeakPolarHBondContact O-CG2 3.02Å; E467-V471 PolarHBondContact O-N 2.82Å |
| 468 | T | 62.7 | Low | 59.2 | Low | 93 Ų | 93 | 79.9 Ų | 79.9 | 57% | 0.571 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.1 | -15.1 | 175.8 | 39.6 | 0 | 0 | 0 | 0 | 114.5 | S466 K472 | S466-T468 PolarHBondContact O-N 3.29Å; S466-T468 PolarHBondContact OG-OG1 3.45Å; S466-T468 VanDerWaalsContact OG-OG1 3.09Å; T468-K472 VanDerWaalsContact O-CD 3.27Å; T468-K472 WeakPolarHBondContact O-CD 3.4Å; T468-K472 VanDerWaalsContact O-CG 3.29Å; T468-K472 WeakPolarHBondContact O-CG 3.46Å |
| 469 | L | 62.8 | Low | 58.8 | Low | 73 Ų | 73 | 87.5 Ų | 87.5 | 38% | 0.382 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -87.7 | -41.7 | 168.6 | -156.1 | 86 | 0 | 0 | 0 | 111 | L465 S466 E467 V471 K472 L473 | L465-L469 HydrophobicContact CD2-CD2 3.86Å; S466-L469 WeakPolarHBondContact O-CA 3.3Å; S466-L469 VanDerWaalsContact O-CB 3.22Å; S466-L469 WeakPolarHBondContact O-CB 3.28Å; S466-L469 PolarHBondContact O-N 3.04Å; S466-L469 PolarHBondContact OG-N 3.46Å; E467-L469 PolarHBondContact O-N 3.05Å; E467-L469 VanDerWaalsContact O-N 3.15Å; L469-V471 PolarHBondContact O-N 2.89Å; L469-K472 CarbonylContact O-C 3.59Å; L469-K472 WeakPolarHBondContact O-CA 3.22Å; L469-K472 WeakPolarHBondContact O-CB 3.42Å; L469-K472 PolarHBondContact O-N 2.93Å; L469-L473 HydrophobicContact CD2-CD1 4.39Å; L469-L473 WeakPolarHBondContact O-CG 3.5Å; L469-L473 PolarHBondContact O-N 3.43Å |
| 470 | L | 62.1 | Low | 58.6 | Low | 42 Ų | 42 | 85 Ų | 85 | 22% | 0.22 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 175.8 | -58 | 178.6 | 0 | 0 | 0 | 111.2 | A445 I447 A460 L465 S466 E467 K472 L473 S474 | A445-L470 HydrophobicContact CB-CD1 4.38Å; I447-L470 HydrophobicContact CD1-CD2 3.54Å; A460-L470 HydrophobicContact CB-CD1 4.11Å; A460-L470 HydrophobicContact CB-CD2 3.84Å; L465-L470 HydrophobicContact CB-CD2 3.87Å; L465-L470 HydrophobicContact CB-CG 4.45Å; L465-L470 HydrophobicContact CD1-CD2 3.92Å; S466-L470 PolarHBondContact O-N 2.76Å; E467-L470 WeakPolarHBondContact O-CB 3.36Å; E467-L470 PolarHBondContact O-N 3.03Å; L470-K472 VanDerWaalsContact C-N 3.26Å; L470-K472 PolarHBondContact O-N 3.06Å; L470-L473 PolarHBondContact O-N 3.23Å; L470-S474 PolarHBondContact O-N 3.12Å |
| 471 | V | 57.6 | Low | 58.7 | Low | 66 Ų | 66 | 88.8 Ų | 88.8 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.4 | -32 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | E467 L469 S474 Q475 | E467-V471 WeakPolarHBondContact O-CG2 3.02Å; E467-V471 PolarHBondContact O-N 2.82Å; L469-V471 PolarHBondContact O-N 2.89Å; V471-S474 PolarHBondContact O-OG 3.5Å; V471-S474 VanDerWaalsContact O-OG 3.12Å; V471-Q475 WeakPolarHBondContact O-CB 3.48Å; V471-Q475 VanDerWaalsContact O-CD 3.32Å; V471-Q475 WeakPolarHBondContact O-CG 3.43Å; V471-Q475 PolarHBondContact O-N 3.3Å |
| 472 | K | 60.2 | Low | 58.8 | Low | 130 Ų | 130 | 83.4 Ų | 83.4 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -80.1 | -15.1 | 175.3 | -73.6 | 174.4 | -173.8 | 168.8 | 0 | 114 | T468 L469 L470 | T468-K472 VanDerWaalsContact O-CD 3.27Å; T468-K472 WeakPolarHBondContact O-CD 3.4Å; T468-K472 VanDerWaalsContact O-CG 3.29Å; T468-K472 WeakPolarHBondContact O-CG 3.46Å; L469-K472 CarbonylContact O-C 3.59Å; L469-K472 WeakPolarHBondContact O-CA 3.22Å; L469-K472 WeakPolarHBondContact O-CB 3.42Å; L469-K472 PolarHBondContact O-N 2.93Å; L470-K472 VanDerWaalsContact C-N 3.26Å; L470-K472 PolarHBondContact O-N 3.06Å |
| 473 | L | 59.2 | Low | 58.8 | Low | 46 Ų | 46 | 86.6 Ų | 86.6 | 24% | 0.241 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -90.4 | -36.1 | 174.6 | -71.6 | 169.6 | 0 | 0 | 0 | 111.2 | I447 L469 L470 Q475 Y480 | I447-L473 HydrophobicContact CD1-CD1 4.14Å; L469-L473 HydrophobicContact CD2-CD1 4.39Å; L469-L473 WeakPolarHBondContact O-CG 3.5Å; L469-L473 PolarHBondContact O-N 3.43Å; L470-L473 PolarHBondContact O-N 3.23Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; L473-Q475 PolarHBondContact O-N 3.25Å; L473-Y480 HydrophobicContact CD1-CD2 4.4Å |
| 474 | S | 54.6 | Low | 58.7 | Low | 99 Ų | 99 | 90.1 Ų | 90.1 | 69% | 0.692 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.3 | -30.7 | 172.6 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | L470 V471 G476 | L470-S474 PolarHBondContact O-N 3.12Å; V471-S474 PolarHBondContact O-OG 3.5Å; V471-S474 VanDerWaalsContact O-OG 3.12Å; S474-G476 VanDerWaalsContact C-N 3.26Å; S474-G476 PolarHBondContact O-N 2.95Å |
| 475 | Q | 49.1 | Very low | 58.7 | Low | 154 Ų | 154 | 83.8 Ų | 83.8 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 8 | 179.4 | -72.5 | 173.7 | 1.1 | 0 | 0 | 115.4 | V471 L473 | V471-Q475 WeakPolarHBondContact O-CB 3.48Å; V471-Q475 VanDerWaalsContact O-CD 3.32Å; V471-Q475 WeakPolarHBondContact O-CG 3.43Å; V471-Q475 PolarHBondContact O-N 3.3Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; L473-Q475 PolarHBondContact O-N 3.25Å |
| 476 | G | 49.2 | Very low | 58.4 | Low | 33 Ų | 33 | 85 Ų | 85 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -176.7 | 151.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S474 K478 | S474-G476 VanDerWaalsContact C-N 3.26Å; S474-G476 PolarHBondContact O-N 2.95Å; G476-K478 PolarHBondContact O-N 3.03Å |
| 477 | S | 49.9 | Very low | 57.9 | Low | 135 Ų | 135 | 83.1 Ų | 83.1 | 94% | 0.944 | 46% | 0.458 | S | S | * | . | trans | -71.6 | 50.7 | -173.6 | 47.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 478 | K | 55.2 | Low | 57.3 | Low | 150 Ų | 150 | 84.3 Ų | 84.3 | 65% | 0.652 | 47% | 0.467 | S | S | * | . | trans | -85.5 | 134.7 | 177.7 | -67.2 | 174.4 | -177.5 | 166 | 0 | 110.7 | G476 | G476-K478 PolarHBondContact O-N 3.03Š| ||
| 479 | K | 53.7 | Low | 56.4 | Low | 162 Ų | 162 | 85.4 Ų | 85.4 | 70% | 0.704 | 48% | 0.475 | S | S | * | . | trans | -72 | 133.2 | 174.9 | -67.5 | -165.8 | 175.8 | -165.8 | 0 | 111.1 | F481 | K479-F481 HydrophobicContact CB-CZ 4.13Š| ||
| 480 | Y | 60.9 | Low | 55.2 | Low | 30 Ų | 30 | 90.6 Ų | 90.6 | 12% | 0.118 | 49% | 0.491 | C | S | . | . | B | Isolated β-bridge | trans | -106 | 148.6 | 176.5 | 178.6 | -97.8 | 0 | 0 | 0 | 111.9 | I447 C449 S450 M463 L465 L473 C482 | I447-Y480 HydrophobicContact CB-CD1 4.42Å; I447-Y480 HydrophobicContact CG2-CD1 3.38Å; I447-Y480 HydrophobicContact CG2-CD2 4.25Å; I447-Y480 HydrophobicContact CG2-CE1 3.95Å; I447-Y480 HydrophobicContact CG2-CG 3.55Å; C449-Y480 HydrophobicContact CB-CD1 4.49Å; S450-Y480 PolarHBondContact N-O 3.25Å; M463-Y480 WeakPolarHBondContact CE-OH 3.29Å; M463-Y480 WeakPolarHBondContact CG-OH 3.27Å; L465-Y480 HydrophobicContact CD1-CE2 3.94Å; L465-Y480 HydrophobicContact CD2-CE2 4.31Å; L473-Y480 HydrophobicContact CD1-CD2 4.4Å; Y480-C482 HydrophobicContact CE1-CB 4.34Å |
| 481 | F | 62.6 | Low | 53.8 | Low | 89 Ų | 89 | 96 Ų | 96 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | trans | -135.4 | 130.5 | 179.2 | -53.9 | -61.4 | 0 | 0 | 0 | 109.9 | K451 K479 | K451-F481 HydrophobicContact CB-CD1 3.99Å; K451-F481 HydrophobicContact CB-CE1 4.35Å; K451-F481 HydrophobicContact CD-CD1 3.95Å; K451-F481 HydrophobicContact CD-CE1 4.41Å; K451-F481 HydrophobicContact CG-CD1 3.86Å; K451-F481 HydrophobicContact CG-CE1 3.97Å; K479-F481 HydrophobicContact CB-CZ 4.13Å | ||
| 482 | C | 63.2 | Low | 52.8 | Low | 3 Ų | 3 | 99.8 Ų | 99.8 | 2% | 0.02 | 53% | 0.528 | C | S | . | . | trans | -83.2 | 172.5 | 178.8 | 64 | 0 | 0 | 0 | 0 | 112.9 | C449 H456 V458 M463 Y480 H485 G486 G487 | C449-C482 HydrophobicContact CB-CB 4.35Å; C449-C482 PolarHBondContact SG-N 3.1Å; C449-C482 VanDerWaalsContact SG-N 3.43Å; C449-C482 VanDerWaalsContact SG-SG 3.61Å; H456-C482 VanDerWaalsContact CE1-SG 3.56Å; H456-C482 PolarHBondContact NE2-SG 2.64Å; V458-C482 HydrophobicContact CG2-CB 4.15Å; M463-C482 HydrophobicContact CE-CB 4.03Å; M463-C482 HydrophobicContact SD-CB 4.42Å; Y480-C482 HydrophobicContact CE1-CB 4.34Å; C482-H485 CarbonylContact O-C 3.44Å; C482-H485 WeakPolarHBondContact O-CA 3.16Å; C482-H485 PolarHBondContact O-N 3.23Å; C482-H485 VanDerWaalsContact O-N 3.15Å; C482-H485 PolarHBondContact SG-ND1 3.33Å; C482-H485 VanDerWaalsContact SG-ND1 3.44Å; C482-G486 PolarHBondContact O-N 2.98Å; C482-G487 PolarHBondContact O-N 3.09Å | ||
| 483 | L | 63 | Low | 51.4 | Low | 101 Ų | 101 | 101.9 Ų | 101.9 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -67 | -42.9 | -178 | -78 | 160.8 | 0 | 0 | 0 | 111.5 | M463 H485 G486 G487 | M463-L483 HydrophobicContact CE-CB 3.84Å; M463-L483 HydrophobicContact CE-CD1 3.57Å; M463-L483 HydrophobicContact CE-CG 3.5Å; M463-L483 VanDerWaalsContact CE-N 3.33Å; M463-L483 HydrophobicContact SD-CD1 4.39Å; L483-H485 PolarHBondContact O-N 3.41Å; L483-G486 PolarHBondContact O-N 3.15Å; L483-G487 WeakPolarHBondContact CD2-O 3.47Å |
| 484 | D | 58.1 | Low | 50 | Low | 94 Ų | 94 | 105.6 Ų | 105.6 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -54.2 | -25.2 | 171.7 | -65.8 | 25.8 | 0 | 0 | 0 | 112.4 | C423 | C423-D484 VanDerWaalsContact CB-OD2 3.3Å; C423-D484 WeakPolarHBondContact CB-OD2 3.42Å |
| 485 | H | 62.6 | Low | 48.9 | Very low | 57 Ų | 57 | 106.1 Ų | 106.1 | 26% | 0.264 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -102.7 | 14 | 176.8 | -75.3 | 155.1 | 0 | 0 | 0 | 114.5 | C449 K451 H456 C482 L483 | C449-H485 PolarHBondContact SG-ND1 3.06Å; K451-H485 HydrophobicContact CB-CB 4.34Å; K451-H485 HydrophobicContact CD-CB 3.74Å; K451-H485 PolarHBondContact NZ-O 3.2Å; K451-H485 PolarHBondContact O-CE1 3.05Å; H456-H485 AromaticContact CE1-CE1 3.39Å; H456-H485 PolarHBondContact CE1-CE1 3.46Å; H456-H485 AromaticContact CE1-ND1 3.58Å; H456-H485 AromaticContact ND1-CE1 3.8Å; C482-H485 CarbonylContact O-C 3.44Å; C482-H485 WeakPolarHBondContact O-CA 3.16Å; C482-H485 PolarHBondContact O-N 3.23Å; C482-H485 VanDerWaalsContact O-N 3.15Å; C482-H485 PolarHBondContact SG-ND1 3.33Å; C482-H485 VanDerWaalsContact SG-ND1 3.44Å; L483-H485 PolarHBondContact O-N 3.41Å |
| 486 | G | 57.3 | Low | 48.1 | Very low | 63 Ų | 63 | 104.9 Ų | 104.9 | 65% | 0.649 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78 | 24.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C482 L483 L488 | C482-G486 PolarHBondContact O-N 2.98Å; L483-G486 PolarHBondContact O-N 3.15Å; G486-L488 PolarHBondContact O-N 3.39Å |
| 487 | G | 53.4 | Low | 47.1 | Very low | 21 Ų | 21 | 114 Ų | 114 | 22% | 0.216 | 60% | 0.598 | C | S | . | * | trans | -69.7 | 105.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C482 L483 | C482-G487 PolarHBondContact O-N 3.09Å; L483-G487 WeakPolarHBondContact CD2-O 3.47Å | ||
| 488 | L | 45.5 | Very low | 46.4 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 68% | 0.681 | 60% | 0.596 | S | S | * | * | trans | -71 | 143.2 | 172.5 | -76.2 | 173.1 | 0 | 0 | 0 | 111.6 | G486 Y490 | G486-L488 PolarHBondContact O-N 3.39Å; L488-Y490 PolarHBondContact O-N 3.34Å | ||
| 489 | P | 44.2 | Very low | 45.2 | Very low | 116 Ų | 116 | 115.8 Ų | 115.8 | 75% | 0.753 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -69.5 | 95.6 | 167.7 | 29.7 | -33.3 | 0 | 0 | 0 | 109.7 | ||
| 490 | Y | 38.1 | Very low | 44.1 | Very low | 182 Ų | 182 | 113.8 Ų | 113.8 | 71% | 0.714 | 59% | 0.592 | S | S | * | * | trans | 70.6 | 115.8 | 173.8 | -153.9 | -102.7 | 0 | 0 | 0 | 116.4 | L488 E492 | L488-Y490 PolarHBondContact O-N 3.34Å; Y490-E492 HydrophobicContact CE1-CG 3.62Å; Y490-E492 PolarHBondContact OH-OE1 2.95Å | ||
| 491 | Q | 31.9 | Very low | 42.5 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | trans | -140.4 | 113.5 | 158.6 | -158.5 | 170.8 | 39.2 | 0 | 0 | 109.8 | M493 | Q491-M493 PolarHBondContact O-N 3.26Š| ||
| 492 | E | 36.8 | Very low | 40.9 | Very low | 144 Ų | 144 | 118.8 Ų | 118.8 | 67% | 0.673 | 64% | 0.635 | S | S | * | * | trans | -67.5 | 118.6 | 172 | -79.1 | -178.7 | 149.2 | 0 | 0 | 110.4 | Y490 | Y490-E492 HydrophobicContact CE1-CG 3.62Å; Y490-E492 PolarHBondContact OH-OE1 2.95Å | ||
| 493 | M | 30.5 | Very low | 39.4 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 86% | 0.862 | 68% | 0.678 | S | S | * | * | trans | -92.3 | 106.7 | 163.5 | -80.7 | -74.6 | -79.8 | 0 | 0 | 109 | Q491 | Q491-M493 PolarHBondContact O-N 3.26Š| ||
| 494 | T | 29.2 | Very low | 37.8 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 148.4 | 179.9 | -18.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 495 | P | 32.8 | Very low | 36.5 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -60 | 149.5 | -177.6 | -25.9 | 35.9 | 0 | 0 | 0 | 113.7 | R497 | P495-R497 PolarHBondContact O-N 3.4Š|
| 496 | P | 32.5 | Very low | 35 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 123.1 | -178 | 24.9 | -34 | 0 | 0 | 0 | 111.9 | Q498 | P496-Q498 PolarHBondContact O-N 3.26Š|
| 497 | R | 28.2 | Very low | 33.7 | Very low | 223 Ų | 223 | 145.2 Ų | 145.2 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123 | 175.6 | -86.9 | 177 | 160.7 | -179 | -2.7 | 111.6 | P495 I499 | P495-R497 PolarHBondContact O-N 3.4Å; R497-I499 HydrophobicContact CB-CD1 4.45Å; R497-I499 HydrophobicContact CB-CG1 4.44Å |
| 498 | Q | 34 | Very low | 32.6 | Very low | 193 Ų | 193 | 154.1 Ų | 154.1 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 142.3 | 154.7 | -67.3 | -175.4 | -5.5 | 0 | 0 | 110.3 | P496 | P496-Q498 PolarHBondContact O-N 3.26Š|
| 499 | I | 29.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | trans | -150.2 | 127.6 | -173.5 | -75.4 | -179.4 | 0 | 0 | 0 | 107.6 | R497 | R497-I499 HydrophobicContact CB-CD1 4.45Å; R497-I499 HydrophobicContact CB-CG1 4.44Å | ||
| 500 | I | 32.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 156.7 Ų | 156.7 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | cis | -144.4 | 178.2 | -31.2 | -22.2 | 173.4 | 0 | 0 | 0 | 105.8 | V502 | I500-V502 HydrophobicContact CB-CG2 4.38Å; I500-V502 HydrophobicContact CD1-CG2 3.66Å; I500-V502 HydrophobicContact CG2-CG2 4.08Å | ||
| 501 | P | 27.6 | Very low | 31 | Very low | 135 Ų | 135 | 156.6 Ų | 156.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | -128.8 | 153.8 | 98.8 | 3.1 | 18.3 | 0 | 0 | 0 | 114.2 | |||||
| 502 | V | 28.1 | Very low | 31 | Very low | 89 Ų | 89 | 160 Ų | 160 | 54% | 0.539 | 79% | 0.794 | S | S | . | * | trans | -92.9 | 138.1 | -169.7 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | I500 R504 | I500-V502 HydrophobicContact CB-CG2 4.38Å; I500-V502 HydrophobicContact CD1-CG2 3.66Å; I500-V502 HydrophobicContact CG2-CG2 4.08Å; V502-R504 HydrophobicContact CG1-CG 3.67Å | ||
| 503 | K | 30.7 | Very low | 30.9 | Very low | 213 Ų | 213 | 161.2 Ų | 161.2 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -122 | 136 | 144.4 | -78.9 | -173.7 | 174.8 | 178.3 | 0 | 109.3 | ||||
| 504 | R | 31.4 | Very low | 31.1 | Very low | 226 Ų | 226 | 156.4 Ų | 156.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -106.4 | 140.4 | -175.9 | -66.5 | -179.7 | 175.3 | 167.5 | -3.1 | 111.4 | V502 | V502-R504 HydrophobicContact CG1-CG 3.67Š| ||
| 505 | T | 30.5 | Very low | 31.5 | Very low | 141 Ų | 141 | 156.7 Ų | 156.7 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -146.2 | 155.7 | 152.1 | 23.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 506 | P | 29.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 159.9 Ų | 159.9 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | trans | -99.6 | 168.6 | -146.8 | -5.7 | 27.1 | 0 | 0 | 0 | 117.2 | ||||
| 507 | M | 30.6 | Very low | 32 | Very low | 163 Ų | 163 | 162 Ų | 162 | 80% | 0.803 | 82% | 0.815 | S | S | * | * | trans | -80.4 | 153.6 | -178.2 | -62 | 159.2 | 54.6 | 0 | 0 | 115.2 | ||||
| 508 | K | 31 | Very low | 32.8 | Very low | 208 Ų | 208 | 159.5 Ų | 159.5 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -134.4 | 110.8 | 139.1 | -67.9 | -174.2 | 179.4 | -178.4 | 0 | 106.3 | ||||
| 509 | V | 30 | Very low | 33.1 | Very low | 111 Ų | 111 | 160.2 Ų | 160.2 | 67% | 0.673 | 82% | 0.818 | S | S | * | * | 82.4 | 113.2 | 64.3 | 172.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 510 | K | 32.3 | Very low | 34 | Very low | 189 Ų | 189 | 160 Ų | 160 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | 23.7 | 151.5 | 150.1 | -57.6 | -178.9 | 177.9 | 174.1 | 0 | 119.4 | ||||
| 511 | E | 31.4 | Very low | 35.1 | Very low | 181 Ų | 181 | 157.5 Ų | 157.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | cis | -153.8 | -168.4 | 44.5 | -73.5 | -179.3 | 142.8 | 0 | 0 | 110.6 | ||||
| 512 | R | 32.3 | Very low | 36.4 | Very low | 228 Ų | 228 | 156.5 Ų | 156.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 176.6 | 146.3 | -50.1 | -163.8 | 178.3 | -170.5 | -167.1 | 1 | 105.1 | |||||
| 513 | N | 35.3 | Very low | 37.6 | Very low | 169 Ų | 169 | 156 Ų | 156 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -54.8 | 153.9 | -159.9 | -47.4 | 3 | 0 | 0 | 0 | 118.4 | ||||
| 514 | G | 34.8 | Very low | 38.7 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -152.8 | 149.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 515 | P | 37.7 | Very low | 39.9 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -95.6 | 166.8 | -164.9 | 37 | -37.2 | 0 | 0 | 0 | 116.3 | ||||
| 516 | L | 39.5 | Very low | 40.7 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | trans | -70.9 | 141.9 | 177.7 | -74.4 | 159.7 | 0 | 0 | 0 | 113.6 | ||||
| 517 | M | 35.1 | Very low | 41.7 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -134.5 | 121.3 | 164.2 | -76.8 | -153.7 | 77.3 | 0 | 0 | 112 | ||||
| 518 | L | 45.5 | Very low | 42.6 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | trans | -81 | 130.5 | 171.7 | -82 | 146.4 | 0 | 0 | 0 | 111 | ||||
| 519 | K | 40.1 | Very low | 43.6 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 75% | 0.745 | S | S | * | * | trans | -100.2 | 112.8 | 174.8 | -68.7 | -179.1 | 179.7 | 176.6 | 0 | 110.5 | ||||
| 520 | M | 49.3 | Very low | 44.6 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 62% | 0.616 | 75% | 0.754 | S | S | * | * | trans | -95.3 | 139.5 | 170.2 | -68 | -178.6 | 71.6 | 0 | 0 | 111.3 | K524 | M520-K524 HydrophobicContact CE-CB 4.02Å; M520-K524 HydrophobicContact CE-CD 3.98Å | ||
| 521 | S | 55.5 | Low | 45.3 | Very low | 69 Ų | 69 | 145.5 Ų | 145.5 | 48% | 0.483 | 74% | 0.74 | S | S | . | * | trans | -76.3 | 155.1 | -177.4 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | A523 K524 | S521-A523 VanDerWaalsContact C-N 3.31Å; S521-A523 PolarHBondContact O-N 3.33Å; S521-K524 PolarHBondContact O-N 3.19Å | ||
| 522 | P | 54.1 | Low | 46.3 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -35.9 | -172.5 | -28 | 36.2 | 0 | 0 | 0 | 115 | K524 K525 | P522-K524 VanDerWaalsContact C-N 3.28Å; P522-K524 PolarHBondContact O-N 3.01Å; P522-K525 PolarHBondContact O-N 3.29Å |
| 523 | A | 52.3 | Low | 47 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -57.4 | -38.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S521 K525 S526 | S521-A523 VanDerWaalsContact C-N 3.31Å; S521-A523 PolarHBondContact O-N 3.33Å; A523-K525 PolarHBondContact O-N 3.27Å; A523-S526 PolarHBondContact O-N 3.2Å |
| 524 | K | 54.9 | Low | 47.5 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 56% | 0.561 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -70.8 | -14.8 | 178.7 | -70.9 | -166.4 | 174.4 | -172.2 | 0 | 113.7 | M520 S521 P522 | M520-K524 HydrophobicContact CE-CB 4.02Å; M520-K524 HydrophobicContact CE-CD 3.98Å; S521-K524 PolarHBondContact O-N 3.19Å; P522-K524 VanDerWaalsContact C-N 3.28Å; P522-K524 PolarHBondContact O-N 3.01Å |
| 525 | K | 55.7 | Low | 48.2 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -83.2 | -20.1 | 176.6 | -67.5 | -169.7 | 174.7 | -173.2 | 0 | 114 | P522 A523 | P522-K525 PolarHBondContact O-N 3.29Å; A523-K525 PolarHBondContact O-N 3.27Å |
| 526 | S | 48.6 | Very low | 48.8 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -78.8 | -40.2 | 179.6 | -165.5 | 0 | 0 | 0 | 0 | 112.2 | A523 | A523-S526 PolarHBondContact O-N 3.2Å |
| 527 | F | 49.8 | Very low | 49.3 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -70.9 | -41.4 | -172.5 | -161.6 | -95.4 | 0 | 0 | 0 | 113.8 | K529 L531 | F527-K529 VanDerWaalsContact C-N 3.27Å; F527-K529 PolarHBondContact O-N 3.36Å; F527-L531 HydrophobicContact CD1-CD1 4.19Å; F527-L531 HydrophobicContact CE1-CD1 3.81Å |
| 528 | F | 50.3 | Low | 50.2 | Low | 133 Ų | 133 | 144.8 Ų | 144.8 | 58% | 0.583 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -71.5 | -17.2 | -178.9 | -82.4 | -81 | 0 | 0 | 0 | 114.2 | R530 | F528-R530 PolarHBondContact O-N 3.2Š|
| 529 | K | 51.2 | Low | 50.5 | Low | 165 Ų | 165 | 142.9 Ų | 142.9 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -87.3 | 29.6 | 179.2 | -149 | -166.4 | 176 | -170.3 | 0 | 113.6 | F527 | F527-K529 VanDerWaalsContact C-N 3.27Å; F527-K529 PolarHBondContact O-N 3.36Å |
| 530 | R | 52 | Low | 51.3 | Low | 230 Ų | 230 | 138.4 Ų | 138.4 | 87% | 0.868 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -146.9 | 17.6 | 176.7 | -89.7 | -169.6 | 170.8 | -177.4 | -3.6 | 112.8 | F528 | F528-R530 PolarHBondContact O-N 3.2Š|
| 531 | L | 46 | Very low | 51.4 | Low | 98 Ų | 98 | 139.4 Ų | 139.4 | 51% | 0.513 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -129.4 | 2.1 | -172.9 | -112 | 158.5 | 0 | 0 | 0 | 113.5 | F527 | F527-L531 HydrophobicContact CD1-CD1 4.19Å; F527-L531 HydrophobicContact CE1-CD1 3.81Å |
| 532 | F | 52.5 | Low | 51.1 | Low | 184 Ų | 184 | 145.3 Ų | 145.3 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | trans | -150.1 | 34.1 | 178.4 | -69.9 | -72.4 | 0 | 0 | 0 | 111.7 | ||||
| 533 | D | 45.9 | Very low | 50.8 | Low | 206 Ų | 206 | 148.1 Ų | 148.1 | 100% | 1.102 | 71% | 0.711 | S | S | * | * | trans | -121.6 | 0 | 158.4 | -80.2 | -45.5 | 0 | 0 | 0 | 106.2 |
Retrieved 533 of 533 residues in 525.5 ms
(Link to these results)