| 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 | Q | 41.7 | Very low | 68.3 | Low | 243 Ų | 243 | 120.5 Ų | 120.5 | 100% | 1.136 | 65% | 0.651 | S | S | * | * | 0 | 118.6 | 0 | -71.7 | 177.9 | 13.7 | 0 | 0 | 107.2 | V3 | Q1-V3 PolarHBondContact O-N 3Š| |||
| 2 | T | 43.6 | Very low | 70.4 | Confident | 143 Ų | 143 | 115.4 Ų | 115.4 | 88% | 0.877 | 62% | 0.62 | S | S | * | * | trans | -61.7 | 122.1 | -171.9 | -39.5 | 0 | 0 | 0 | 0 | 109.8 | G4 | T2-G4 PolarHBondContact O-N 3.44Š| ||
| 3 | V | 56.1 | Low | 72.2 | Confident | 148 Ų | 148 | 110.2 Ų | 110.2 | 90% | 0.897 | 59% | 0.591 | S | S | * | * | trans | -67.9 | 79.1 | 172 | -179 | 0 | 0 | 0 | 0 | 107.6 | Q1 K5 | Q1-V3 PolarHBondContact O-N 3Å; V3-K5 PolarHBondContact O-N 2.92Å | ||
| 4 | G | 53.2 | Low | 73.9 | Confident | 60 Ų | 60 | 106.9 Ų | 106.9 | 62% | 0.619 | 57% | 0.573 | S | S | * | * | trans | -80 | 108.8 | 179 | 0 | 0 | 0 | 0 | 0 | 109.4 | T2 | T2-G4 PolarHBondContact O-N 3.44Š| ||
| 5 | K | 60.5 | Low | 75.4 | Confident | 200 Ų | 200 | 104.1 Ų | 104.1 | 87% | 0.87 | 55% | 0.554 | S | S | * | * | trans | 29.7 | 94.6 | 159 | -62.7 | 172.9 | -177 | 177.5 | 0 | 113.9 | V3 S7 | V3-K5 PolarHBondContact O-N 2.92Å; K5-S7 PolarHBondContact O-N 3.04Å; K5-S7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | S | 58.6 | Low | 76.7 | Confident | 72 Ų | 72 | 102.9 Ų | 102.9 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | trans | -26.3 | 112.6 | 171.4 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | K8 L10 | S6-K8 PolarHBondContact O-N 3.14Å; S6-L10 WeakPolarHBondContact OG-CB 3.42Å | ||
| 7 | S | 77.2 | Confident | 77.9 | Confident | 49 Ų | 49 | 97.1 Ų | 97.1 | 34% | 0.343 | 51% | 0.509 | S | S | . | . | trans | -54.5 | 141.9 | -179.4 | 73.9 | 0 | 0 | 0 | 0 | 109.4 | K5 M9 L10 F34 | K5-S7 PolarHBondContact O-N 3.04Å; K5-S7 VanDerWaalsContact O-N 3.08Å; S7-M9 PolarHBondContact O-N 3.38Å; S7-L10 WeakPolarHBondContact O-CB 3.22Å; S7-L10 PolarHBondContact O-N 3.47Å; S7-F34 WeakPolarHBondContact OG-CZ 3.39Å | ||
| 8 | K | 86.9 | Confident | 78.9 | Confident | 172 Ų | 172 | 95.7 Ų | 95.7 | 75% | 0.748 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -28.4 | 179 | -67.6 | -178.1 | 178.2 | 179.1 | 0 | 112.6 | S6 Q11 H12 | S6-K8 PolarHBondContact O-N 3.14Å; K8-Q11 PolarHBondContact O-N 3.19Å; K8-H12 PolarHBondContact O-CD2 2.93Å; K8-H12 VanDerWaalsContact O-CD2 3.32Å |
| 9 | M | 90.5 | Very high | 79.9 | Confident | 34 Ų | 34 | 90.6 Ų | 90.6 | 17% | 0.167 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -36.1 | 176.9 | -68.8 | -64.1 | -68.3 | 0 | 0 | 114.1 | S7 Q11 H12 F31 F34 M38 L40 M80 | S7-M9 PolarHBondContact O-N 3.38Å; M9-Q11 PolarHBondContact O-N 3.3Å; M9-H12 PolarHBondContact O-N 3.43Å; M9-H12 VanDerWaalsContact O-N 3.12Å; M9-F31 HydrophobicContact CE-CE1 4.08Å; M9-F31 HydrophobicContact CE-CE2 4.31Å; M9-F31 HydrophobicContact CE-CZ 3.59Å; M9-F34 HydrophobicContact CB-CD1 3.97Å; M9-F34 HydrophobicContact CB-CD2 4.15Å; M9-F34 HydrophobicContact CB-CE1 3.72Å; M9-F34 HydrophobicContact CB-CE2 3.92Å; M9-F34 HydrophobicContact CB-CG 4.19Å; M9-F34 HydrophobicContact CB-CZ 3.7Å; M9-F34 HydrophobicContact CE-CB 4.08Å; M9-F34 HydrophobicContact CE-CG 4.14Å; M9-F34 HydrophobicContact CG-CD2 4.41Å; M9-F34 HydrophobicContact CG-CE2 4.39Å; M9-M38 HydrophobicContact CE-CE 3.62Å; M9-M38 HydrophobicContact CE-SD 4.24Å; M9-M38 HydrophobicContact SD-CE 3.99Å; M9-L40 HydrophobicContact CE-CD2 4.19Å; M9-M80 HydrophobicContact CE-CE 3.45Å; M9-M80 VanDerWaalsContact CE-CE 3.45Å; M9-M80 HydrophobicContact SD-CE 3.75Å |
| 10 | L | 91.2 | Very high | 80.7 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -63.1 | -28.3 | 178.1 | -72.2 | 167.4 | 0 | 0 | 0 | 112 | S6 S7 H12 I13 F34 | S6-L10 WeakPolarHBondContact OG-CB 3.42Å; S7-L10 WeakPolarHBondContact O-CB 3.22Å; S7-L10 PolarHBondContact O-N 3.47Å; L10-H12 PolarHBondContact O-N 3.23Å; L10-I13 HydrophobicContact CD2-CD1 3.75Å; L10-I13 PolarHBondContact O-N 3.37Å; L10-F34 HydrophobicContact CD2-CE1 3.94Å; L10-F34 HydrophobicContact CD2-CZ 4.38Å; L10-F34 HydrophobicContact CG-CE1 4.16Å; L10-F34 HydrophobicContact CG-CZ 4.29Å |
| 11 | Q | 92.4 | Very high | 81.4 | Confident | 122 Ų | 122 | 85.7 Ų | 85.7 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -72.2 | -19.7 | 178.8 | -58.3 | 176.2 | 19.3 | 0 | 0 | 112.9 | K8 M9 | K8-Q11 PolarHBondContact O-N 3.19Å; M9-Q11 PolarHBondContact O-N 3.3Å |
| 12 | H | 93.2 | Very high | 84 | Confident | 59 Ų | 59 | 80.3 Ų | 80.3 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -98.1 | -3.3 | -178.7 | -63.5 | -47.7 | 0 | 0 | 0 | 113.1 | K8 M9 L10 F15 M17 F31 | K8-H12 PolarHBondContact O-CD2 2.93Å; K8-H12 VanDerWaalsContact O-CD2 3.32Å; M9-H12 PolarHBondContact O-N 3.43Å; M9-H12 VanDerWaalsContact O-N 3.12Å; L10-H12 PolarHBondContact O-N 3.23Å; H12-F15 WeakPolarHBondContact O-CB 3.37Å; H12-F15 PolarHBondContact O-N 2.89Å; H12-M17 HydrophobicContact CB-CE 3.88Å; H12-M17 HydrophobicContact CB-SD 4.14Å; H12-F31 HydrophobicContact CB-CD1 4.33Å; H12-F31 HydrophobicContact CB-CE1 4.48Å; H12-F31 WeakPolarHBondContact O-CD1 3.09Å |
| 13 | I | 94.1 | Very high | 86.2 | Confident | 47 Ų | 47 | 77.9 Ų | 77.9 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 142.9 | 174.5 | -66.2 | -179.4 | 0 | 0 | 0 | 109.7 | L10 F15 F31 F34 | L10-I13 HydrophobicContact CD2-CD1 3.75Å; L10-I13 PolarHBondContact O-N 3.37Å; I13-F15 WeakPolarHBondContact O-CD2 3.46Å; I13-F15 PolarHBondContact O-N 2.88Å; I13-F15 VanDerWaalsContact O-N 3.12Å; I13-F31 CarbonylContact C-O 3.52Å; I13-F31 HydrophobicContact CG1-CD1 4.31Å; I13-F31 HydrophobicContact CG1-CE1 3.86Å; I13-F34 HydrophobicContact CD1-CE1 4.42Å |
| 14 | D | 95.1 | Very high | 87.9 | Confident | 64 Ų | 64 | 73 Ų | 73 | 34% | 0.342 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | -8.9 | -174.7 | -59.5 | -51.5 | 0 | 0 | 0 | 115.9 | T30 F31 K32 P86 P87 | D14-T30 WeakPolarHBondContact O-CG2 3.36Å; D14-F31 WeakPolarHBondContact CA-O 3.43Å; D14-F31 PolarHBondContact N-O 2.84Å; D14-K32 VanDerWaalsContact OD1-CD 3.25Å; D14-K32 WeakPolarHBondContact OD1-CD 3.16Å; D14-K32 WeakPolarHBondContact OD1-CE 3.14Å; D14-K32 IonicContact OD1-NZ 3.26Å; D14-K32 PolarHBondContact OD1-NZ 2.81Å; D14-P86 HydrophobicContact CB-CB 4.08Å; D14-P86 HydrophobicContact CB-CG 4.44Å; D14-P86 WeakPolarHBondContact O-CA 3.49Å; D14-P86 VanDerWaalsContact O-CB 3.26Å; D14-P86 WeakPolarHBondContact O-CB 3.38Å; D14-P87 WeakPolarHBondContact O-CD 3.38Å |
| 15 | F | 96.2 | Very high | 89.8 | Confident | 66 Ų | 66 | 74.3 Ų | 74.3 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -70.1 | 153.6 | 172.1 | -77.8 | -106.7 | 0 | 0 | 0 | 111.3 | H12 I13 M17 T30 F31 V82 P86 | H12-F15 WeakPolarHBondContact O-CB 3.37Å; H12-F15 PolarHBondContact O-N 2.89Å; I13-F15 WeakPolarHBondContact O-CD2 3.46Å; I13-F15 PolarHBondContact O-N 2.88Å; I13-F15 VanDerWaalsContact O-N 3.12Å; F15-M17 HydrophobicContact CB-CG 4.43Å; F15-M17 HydrophobicContact CB-SD 3.85Å; F15-M17 PolarHBondContact O-N 3.45Å; F15-T30 WeakPolarHBondContact O-CA 3.04Å; F15-F31 PolarHBondContact O-N 2.82Å; F15-V82 HydrophobicContact CD1-CG1 3.64Å; F15-V82 HydrophobicContact CE1-CG1 4.35Å; F15-V82 HydrophobicContact CG-CG1 4.45Å; F15-P86 HydrophobicContact CD1-CG 4.2Å; F15-P86 HydrophobicContact CD2-CG 3.62Å; F15-P86 HydrophobicContact CE1-CG 4.25Å; F15-P86 HydrophobicContact CE2-CG 3.64Å; F15-P86 HydrophobicContact CG-CG 3.9Å; F15-P86 HydrophobicContact CZ-CG 3.97Å |
| 16 | R | 96.3 | Very high | 91.4 | Very high | 85 Ų | 85 | 66.5 Ų | 66.5 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 113.7 | 168.2 | -161.9 | 164.1 | -176.9 | -136.6 | 11.9 | 107.9 | I28 E83 G84 | R16-I28 HydrophobicContact CG-CG2 4.08Å; R16-E83 WeakPolarHBondContact CD-OE2 3.16Å; R16-E83 WeakPolarHBondContact CG-OE2 3.26Å; R16-E83 IonicContact CZ-OE2 2.72Å; R16-E83 IonicContact NE-OE2 3.57Å; R16-E83 IonicContact NH1-OE1 3.74Å; R16-E83 IonicContact NH1-OE2 2.94Å; R16-E83 PolarHBondContact NH1-OE2 2.9Å; R16-E83 WeakPolarHBondContact O-CA 3.49Å; R16-E83 WeakPolarHBondContact O-CB 3.44Å; R16-E83 PolarHBondContact O-N 2.84Å; R16-G84 PolarHBondContact N-O 2.86Å; R16-G84 VanDerWaalsContact N-O 3.1Å; R16-G84 PolarHBondContact O-N 2.85Å; R16-G84 VanDerWaalsContact O-N 3.12Å |
| 17 | M | 97.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141 | -173.5 | -60.1 | -60.2 | -78.2 | 0 | 0 | 110.3 | H12 F15 I28 G29 F31 M80 T81 V82 | H12-M17 HydrophobicContact CB-CE 3.88Å; H12-M17 HydrophobicContact CB-SD 4.14Å; F15-M17 HydrophobicContact CB-CG 4.43Å; F15-M17 HydrophobicContact CB-SD 3.85Å; F15-M17 PolarHBondContact O-N 3.45Å; M17-I28 WeakPolarHBondContact O-CA 3.34Å; M17-G29 PolarHBondContact N-O 3.25Å; M17-G29 PolarHBondContact O-N 2.92Å; M17-G29 VanDerWaalsContact O-N 3.09Å; M17-F31 HydrophobicContact CB-CB 4.09Å; M17-F31 HydrophobicContact CG-CB 3.44Å; M17-F31 VanDerWaalsContact CG-CB 3.44Å; M17-F31 HydrophobicContact CG-CD1 4.4Å; M17-F31 HydrophobicContact CG-CG 4.18Å; M17-M80 HydrophobicContact CB-CG 3.88Å; M17-M80 HydrophobicContact CB-SD 3.87Å; M17-M80 HydrophobicContact CE-CE 3.67Å; M17-M80 HydrophobicContact CE-CG 3.55Å; M17-M80 HydrophobicContact CE-SD 3.72Å; M17-M80 HydrophobicContact CG-CG 4.37Å; M17-M80 HydrophobicContact CG-SD 3.97Å; M17-T81 CarbonylContact C-O 3.58Å; M17-T81 WeakPolarHBondContact CA-O 3.47Å; M17-V82 HydrophobicContact CE-CG2 3.98Å; M17-V82 HydrophobicContact SD-CB 4.22Å; M17-V82 HydrophobicContact SD-CG2 3.72Å |
| 18 | R | 97 | Very high | 94.2 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.8 | 166.3 | 178 | -174.7 | -61.9 | -89.4 | -4.3 | 108.3 | I26 F27 I28 M80 T81 E83 | R18-I26 HydrophobicContact CG-CG2 3.56Å; R18-F27 CarbonylContact C-O 3.58Å; R18-F27 WeakPolarHBondContact CA-O 3.33Å; R18-I28 HydrophobicContact CB-CG1 4.38Å; R18-I28 HydrophobicContact CG-CG1 4.31Å; R18-M80 CarbonylContact O-C 3.59Å; R18-M80 VanDerWaalsContact O-CA 3.24Å; R18-M80 WeakPolarHBondContact O-CA 3.39Å; R18-T81 PolarHBondContact N-O 3.07Å; R18-T81 PolarHBondContact O-N 2.83Å; R18-E83 HydrophobicContact CB-CB 4.36Å |
| 19 | C | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.3 | 176.5 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | I26 F27 L72 L77 | C19-I26 CarbonylContact O-C 3.6Å; C19-I26 WeakPolarHBondContact O-CA 3.05Å; C19-F27 HydrophobicContact CB-CB 4.36Å; C19-F27 PolarHBondContact N-O 3.29Å; C19-F27 PolarHBondContact O-N 3.43Å; C19-L72 HydrophobicContact CB-CD1 4.14Å; C19-L77 HydrophobicContact CB-CD1 3.86Å |
| 20 | I | 96.4 | Very high | 95 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126 | 177.8 | -54.7 | 179.6 | 0 | 0 | 0 | 108.3 | V78 S79 | I20-V78 PolarHBondContact O-N 3.13Å; I20-S79 PolarHBondContact N-O 2.62Å; I20-S79 PolarHBondContact O-N 2.78Å |
| 21 | L | 95.6 | Very high | 95.2 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 162.7 | 176.9 | -81.8 | 65.5 | 0 | 0 | 0 | 111.5 | D23 G24 R25 F27 L72 N76 | L21-D23 VanDerWaalsContact CB-OD1 3.26Å; L21-D23 WeakPolarHBondContact CB-OD1 3.33Å; L21-D23 PolarHBondContact O-N 2.71Å; L21-G24 PolarHBondContact O-N 3.34Å; L21-R25 HydrophobicContact CB-CB 4.48Å; L21-R25 PolarHBondContact N-O 3.01Å; L21-F27 HydrophobicContact CD1-CD2 3.44Å; L21-F27 VanDerWaalsContact CD1-CD2 3.44Å; L21-F27 HydrophobicContact CD1-CE2 3.73Å; L21-F27 HydrophobicContact CD1-CG 4.47Å; L21-F27 HydrophobicContact CD2-CD2 4.3Å; L21-F27 HydrophobicContact CD2-CE2 3.68Å; L21-F27 HydrophobicContact CD2-CZ 4.46Å; L21-F27 HydrophobicContact CG-CD2 4.47Å; L21-F27 HydrophobicContact CG-CE2 4.31Å; L21-L72 HydrophobicContact CD1-CD1 4.17Å; L21-L72 HydrophobicContact CD2-CD2 4.45Å; L21-N76 CarbonylContact C-O 3.59Å; L21-N76 WeakPolarHBondContact CA-O 3.26Å; L21-N76 HydrophobicContact CD2-CB 4.42Å; L21-N76 HydrophobicContact CG-CB 4.38Å |
| 22 | Q | 95.6 | Very high | 95.4 | Very high | 130 Ų | 130 | 46.6 Ų | 46.6 | 61% | 0.607 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30 | 177.4 | -70.8 | -179.6 | 0.4 | 0 | 0 | 113.6 | G24 E75 N76 V78 | Q22-G24 PolarHBondContact O-N 3.24Å; Q22-E75 PolarHBondContact NE2-O 3.31Å; Q22-N76 PolarHBondContact N-O 2.71Å; Q22-V78 HydrophobicContact CB-CG2 4.17Å; Q22-V78 HydrophobicContact CG-CG2 3.53Å |
| 23 | D | 90.6 | Very high | 95.5 | Very high | 92 Ų | 92 | 45.6 Ų | 45.6 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.5 | 178.8 | 70.4 | -14.7 | 0 | 0 | 0 | 113.6 | L21 R25 | L21-D23 VanDerWaalsContact CB-OD1 3.26Å; L21-D23 WeakPolarHBondContact CB-OD1 3.33Å; L21-D23 PolarHBondContact O-N 2.71Å; D23-R25 VanDerWaalsContact C-N 3.35Å; D23-R25 WeakPolarHBondContact OD1-CB 3.28Å; D23-R25 WeakPolarHBondContact OD1-CG 3.39Å; D23-R25 PolarHBondContact OD1-N 3.24Å; D23-R25 WeakPolarHBondContact OD2-CD 3.38Å; D23-R25 WeakPolarHBondContact OD2-CG 3.12Å; D23-R25 IonicContact OD2-CZ 3.37Å; D23-R25 IonicContact OD2-NE 3.69Å; D23-R25 PolarHBondContact OD2-NE 3.18Å; D23-R25 IonicContact OD2-NH2 3.51Å |
| 24 | G | 90.2 | Very high | 95.5 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 82.9 | 7.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L21 Q22 | L21-G24 PolarHBondContact O-N 3.34Å; Q22-G24 PolarHBondContact O-N 3.24Å |
| 25 | R | 93.3 | Very high | 95.5 | Very high | 88 Ų | 88 | 46.8 Ų | 46.8 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | trans | -72.6 | 147.8 | 169.5 | -65.4 | 175 | -166 | -165.1 | 19.6 | 110.7 | L21 D23 F27 E47 R49 | L21-R25 HydrophobicContact CB-CB 4.48Å; L21-R25 PolarHBondContact N-O 3.01Å; D23-R25 VanDerWaalsContact C-N 3.35Å; D23-R25 WeakPolarHBondContact OD1-CB 3.28Å; D23-R25 WeakPolarHBondContact OD1-CG 3.39Å; D23-R25 PolarHBondContact OD1-N 3.24Å; D23-R25 WeakPolarHBondContact OD2-CD 3.38Å; D23-R25 WeakPolarHBondContact OD2-CG 3.12Å; D23-R25 IonicContact OD2-CZ 3.37Å; D23-R25 IonicContact OD2-NE 3.69Å; D23-R25 PolarHBondContact OD2-NE 3.18Å; D23-R25 IonicContact OD2-NH2 3.51Å; R25-F27 HydrophobicContact CB-CD2 4.39Å; R25-F27 HydrophobicContact CB-CE2 3.84Å; R25-E47 VanDerWaalsContact CD-OE1 3.22Å; R25-E47 WeakPolarHBondContact CD-OE1 3.24Å; R25-E47 IonicContact CZ-OE1 3.55Å; R25-E47 IonicContact NE-OE1 3.56Å; R25-E47 IonicContact NH1-OE1 3.13Å; R25-E47 PolarHBondContact NH1-OE1 3.22Å; R25-E47 VanDerWaalsContact NH1-OE1 3.13Å; R25-R49 VanDerWaalsContact NH1-NH2 3.15Å | ||
| 26 | I | 95.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.2 | 176.6 | -55.9 | 174.6 | 0 | 0 | 0 | 108.1 | R18 C19 I28 E47 F48 | R18-I26 HydrophobicContact CG-CG2 3.56Å; C19-I26 CarbonylContact O-C 3.6Å; C19-I26 WeakPolarHBondContact O-CA 3.05Å; I26-I28 HydrophobicContact CG2-CG1 4.19Å; I26-E47 CarbonylContact O-C 3.52Å; I26-E47 WeakPolarHBondContact O-CA 3Å; I26-F48 HydrophobicContact CB-CB 4.23Å; I26-F48 PolarHBondContact N-O 3.18Å; I26-F48 VanDerWaalsContact N-O 3.11Å; I26-F48 PolarHBondContact O-N 3.05Å |
| 27 | F | 97.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 53 Ų | 53 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.5 | 173.2 | -70.9 | -106.7 | 0 | 0 | 0 | 108.4 | R18 C19 L21 R25 L42 D46 E47 L67 V70 L72 | R18-F27 CarbonylContact C-O 3.58Å; R18-F27 WeakPolarHBondContact CA-O 3.33Å; C19-F27 HydrophobicContact CB-CB 4.36Å; C19-F27 PolarHBondContact N-O 3.29Å; C19-F27 PolarHBondContact O-N 3.43Å; L21-F27 HydrophobicContact CD1-CD2 3.44Å; L21-F27 VanDerWaalsContact CD1-CD2 3.44Å; L21-F27 HydrophobicContact CD1-CE2 3.73Å; L21-F27 HydrophobicContact CD1-CG 4.47Å; L21-F27 HydrophobicContact CD2-CD2 4.3Å; L21-F27 HydrophobicContact CD2-CE2 3.68Å; L21-F27 HydrophobicContact CD2-CZ 4.46Å; L21-F27 HydrophobicContact CG-CD2 4.47Å; L21-F27 HydrophobicContact CG-CE2 4.31Å; R25-F27 HydrophobicContact CB-CD2 4.39Å; R25-F27 HydrophobicContact CB-CE2 3.84Å; F27-L42 HydrophobicContact CB-CD1 4.08Å; F27-D46 CarbonylContact C-O 3.56Å; F27-D46 WeakPolarHBondContact CA-O 3.36Å; F27-E47 HydrophobicContact CD1-CB 4.28Å; F27-E47 HydrophobicContact CE1-CB 4.02Å; F27-E47 HydrophobicContact CE1-CG 4.24Å; F27-E47 HydrophobicContact CE2-CG 4.26Å; F27-E47 HydrophobicContact CZ-CB 4.28Å; F27-E47 HydrophobicContact CZ-CG 3.98Å; F27-L67 HydrophobicContact CD1-CD1 3.87Å; F27-L67 HydrophobicContact CE1-CD1 3.34Å; F27-L67 HydrophobicContact CZ-CD1 4.38Å; F27-V70 HydrophobicContact CD1-CG1 4.5Å; F27-V70 HydrophobicContact CE1-CG1 4.36Å; F27-L72 HydrophobicContact CB-CD1 4.19Å; F27-L72 HydrophobicContact CD1-CD2 4.25Å; F27-L72 HydrophobicContact CD2-CD1 4.45Å; F27-L72 HydrophobicContact CD2-CD2 4.39Å; F27-L72 HydrophobicContact CE1-CD2 4.13Å; F27-L72 HydrophobicContact CE2-CD2 4.31Å; F27-L72 HydrophobicContact CG-CD1 4.19Å; F27-L72 HydrophobicContact CG-CD2 4.37Å; F27-L72 HydrophobicContact CZ-CD2 4.17Å |
| 28 | I | 96.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.3 | 173.5 | -53.9 | -179.3 | 0 | 0 | 0 | 107.5 | R16 M17 R18 I26 C45 D46 F48 E83 | R16-I28 HydrophobicContact CG-CG2 4.08Å; M17-I28 WeakPolarHBondContact O-CA 3.34Å; R18-I28 HydrophobicContact CB-CG1 4.38Å; R18-I28 HydrophobicContact CG-CG1 4.31Å; I26-I28 HydrophobicContact CG2-CG1 4.19Å; I28-C45 CarbonylContact O-C 3.55Å; I28-C45 WeakPolarHBondContact O-CA 3.46Å; I28-D46 PolarHBondContact N-O 2.79Å; I28-D46 PolarHBondContact O-N 2.86Å; I28-F48 HydrophobicContact CB-CE2 4.07Å; I28-F48 HydrophobicContact CD1-CD2 3.92Å; I28-F48 HydrophobicContact CD1-CE2 3.51Å; I28-F48 HydrophobicContact CD1-CZ 4.19Å; I28-F48 HydrophobicContact CG1-CD2 4Å; I28-F48 HydrophobicContact CG1-CE2 3.81Å; I28-E83 HydrophobicContact CG2-CB 4.35Å; I28-E83 HydrophobicContact CG2-CG 4.04Å |
| 29 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | M17 F31 C43 | M17-G29 PolarHBondContact N-O 3.25Å; M17-G29 PolarHBondContact O-N 2.92Å; M17-G29 VanDerWaalsContact O-N 3.09Å; G29-F31 PolarHBondContact O-N 3.22Å; G29-C43 CarbonylContact C-O 3.59Å; G29-C43 WeakPolarHBondContact CA-O 3.26Å |
| 30 | T | 96.7 | Very high | 95.1 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117.1 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | D14 F15 K32 L42 C43 | D14-T30 WeakPolarHBondContact O-CG2 3.36Å; F15-T30 WeakPolarHBondContact O-CA 3.04Å; T30-K32 HydrophobicContact CG2-CD 4.14Å; T30-K32 PolarHBondContact O-N 2.8Å; T30-L42 CarbonylContact O-C 3.56Å; T30-L42 VanDerWaalsContact O-CA 3.3Å; T30-L42 WeakPolarHBondContact O-CA 3.3Å; T30-C43 PolarHBondContact N-O 3.26Å; T30-C43 PolarHBondContact O-N 3.05Å |
| 31 | F | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 112.4 | -176.7 | 171.9 | -119.1 | 0 | 0 | 0 | 111.3 | M9 H12 I13 D14 F15 M17 G29 A33 F34 L40 L42 M80 | M9-F31 HydrophobicContact CE-CE1 4.08Å; M9-F31 HydrophobicContact CE-CE2 4.31Å; M9-F31 HydrophobicContact CE-CZ 3.59Å; H12-F31 HydrophobicContact CB-CD1 4.33Å; H12-F31 HydrophobicContact CB-CE1 4.48Å; H12-F31 WeakPolarHBondContact O-CD1 3.09Å; I13-F31 CarbonylContact C-O 3.52Å; I13-F31 HydrophobicContact CG1-CD1 4.31Å; I13-F31 HydrophobicContact CG1-CE1 3.86Å; D14-F31 WeakPolarHBondContact CA-O 3.43Å; D14-F31 PolarHBondContact N-O 2.84Å; F15-F31 PolarHBondContact O-N 2.82Å; M17-F31 HydrophobicContact CB-CB 4.09Å; M17-F31 HydrophobicContact CG-CB 3.44Å; M17-F31 VanDerWaalsContact CG-CB 3.44Å; M17-F31 HydrophobicContact CG-CD1 4.4Å; M17-F31 HydrophobicContact CG-CG 4.18Å; G29-F31 PolarHBondContact O-N 3.22Å; F31-A33 VanDerWaalsContact CE2-C 3.48Å; F31-A33 WeakPolarHBondContact CE2-O 3.46Å; F31-F34 HydrophobicContact CE1-CD1 4.47Å; F31-F34 HydrophobicContact CE2-CB 3.93Å; F31-F34 HydrophobicContact CZ-CB 3.66Å; F31-F34 AromaticContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CG 4.07Å; F31-L40 HydrophobicContact CD2-CB 4.38Å; F31-L40 HydrophobicContact CD2-CD2 4.38Å; F31-L40 HydrophobicContact CE2-CB 4.24Å; F31-L40 HydrophobicContact CE2-CD2 3.62Å; F31-L40 HydrophobicContact CE2-CG 4.39Å; F31-L40 HydrophobicContact CZ-CD2 4.34Å; F31-L42 HydrophobicContact CB-CD2 3.93Å; F31-L42 HydrophobicContact CD2-CD2 4.16Å; F31-M80 HydrophobicContact CD2-SD 4.47Å; F31-M80 HydrophobicContact CG-SD 4.45Å |
| 32 | K | 95.2 | Very high | 95.2 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 37% | 0.365 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -33.6 | -173.6 | -70.5 | -58.4 | -170.8 | 176.2 | 0 | 114.1 | D14 T30 I41 C43 | D14-K32 VanDerWaalsContact OD1-CD 3.25Å; D14-K32 WeakPolarHBondContact OD1-CD 3.16Å; D14-K32 WeakPolarHBondContact OD1-CE 3.14Å; D14-K32 IonicContact OD1-NZ 3.26Å; D14-K32 PolarHBondContact OD1-NZ 2.81Å; T30-K32 HydrophobicContact CG2-CD 4.14Å; T30-K32 PolarHBondContact O-N 2.8Å; K32-I41 HydrophobicContact CB-CG2 4.31Å; K32-I41 PolarHBondContact N-O 3.38Å; K32-C43 HydrophobicContact CG-CB 4.29Å; K32-C43 VanDerWaalsContact CG-SG 3.57Å |
| 33 | A | 95.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 48 Ų | 48 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 151.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F31 L40 I41 | F31-A33 VanDerWaalsContact CE2-C 3.48Å; F31-A33 WeakPolarHBondContact CE2-O 3.46Å; A33-L40 WeakPolarHBondContact O-CA 3.2Å; A33-I41 HydrophobicContact CB-CB 4.07Å; A33-I41 HydrophobicContact CB-CG1 3.93Å; A33-I41 PolarHBondContact O-N 3.1Å |
| 34 | F | 95.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 159.8 | 166.2 | 66.9 | -68.8 | 0 | 0 | 0 | 111.2 | S7 M9 L10 I13 F31 N39 L40 | S7-F34 WeakPolarHBondContact OG-CZ 3.39Å; M9-F34 HydrophobicContact CB-CD1 3.97Å; M9-F34 HydrophobicContact CB-CD2 4.15Å; M9-F34 HydrophobicContact CB-CE1 3.72Å; M9-F34 HydrophobicContact CB-CE2 3.92Å; M9-F34 HydrophobicContact CB-CG 4.19Å; M9-F34 HydrophobicContact CB-CZ 3.7Å; M9-F34 HydrophobicContact CE-CB 4.08Å; M9-F34 HydrophobicContact CE-CG 4.14Å; M9-F34 HydrophobicContact CG-CD2 4.41Å; M9-F34 HydrophobicContact CG-CE2 4.39Å; L10-F34 HydrophobicContact CD2-CE1 3.94Å; L10-F34 HydrophobicContact CD2-CZ 4.38Å; L10-F34 HydrophobicContact CG-CE1 4.16Å; L10-F34 HydrophobicContact CG-CZ 4.29Å; I13-F34 HydrophobicContact CD1-CE1 4.42Å; F31-F34 HydrophobicContact CE1-CD1 4.47Å; F31-F34 HydrophobicContact CE2-CB 3.93Å; F31-F34 HydrophobicContact CZ-CB 3.66Å; F31-F34 AromaticContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CD1 3.8Å; F31-F34 HydrophobicContact CZ-CG 4.07Å; F34-N39 CarbonylContact C-O 3.45Å; F34-N39 VanDerWaalsContact CA-O 3.26Å; F34-N39 WeakPolarHBondContact CA-O 2.69Å; F34-L40 HydrophobicContact CB-CD2 4Å |
| 35 | D | 94.6 | Very high | 95.7 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | trans | -116.1 | 171.1 | 174.9 | -175.7 | 25 | 0 | 0 | 0 | 111.2 | H37 M38 N39 | D35-H37 PolarHBondContact O-N 2.96Å; D35-H37 VanDerWaalsContact O-N 3.1Å; D35-H37 IonicContact OD2-CD2 2.65Å; D35-M38 PolarHBondContact O-N 3.11Å; D35-N39 HydrophobicContact CB-CB 4.04Å; D35-N39 PolarHBondContact N-O 2.68Å; D35-N39 VanDerWaalsContact N-O 3.07Å; D35-N39 PolarHBondContact OD2-ND2 3.17Å; D35-N39 VanDerWaalsContact OD2-ND2 3.16Å | ||
| 36 | K | 93.1 | Very high | 95.8 | Very high | 175 Ų | 175 | 42.4 Ų | 42.4 | 76% | 0.761 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27 | 174.4 | 74.7 | -174.1 | -174.4 | -175.5 | 0 | 113.4 | ||
| 37 | H | 94.4 | Very high | 95.8 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 50% | 0.495 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7.4 | 178.5 | -65 | -60.1 | 0 | 0 | 0 | 113.8 | D35 N39 G74 | D35-H37 PolarHBondContact O-N 2.96Å; D35-H37 VanDerWaalsContact O-N 3.1Å; D35-H37 IonicContact OD2-CD2 2.65Å; H37-N39 PolarHBondContact O-N 2.97Å; H37-G74 WeakPolarHBondContact O-CA 3.08Å |
| 38 | M | 95.3 | Very high | 95.7 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 34% | 0.335 | 21% | 0.211 | S | C | . | . | trans | 62.1 | 24.4 | -170.8 | -61.9 | -66.3 | -65.1 | 0 | 0 | 113.7 | M9 D35 L40 G74 L77 | M9-M38 HydrophobicContact CE-CE 3.62Å; M9-M38 HydrophobicContact CE-SD 4.24Å; M9-M38 HydrophobicContact SD-CE 3.99Å; D35-M38 PolarHBondContact O-N 3.11Å; M38-L40 HydrophobicContact CE-CD2 4.42Å; M38-L40 WeakPolarHBondContact O-CG 3.41Å; M38-L40 PolarHBondContact O-N 3.47Å; M38-G74 WeakPolarHBondContact O-CA 3.35Å; M38-G74 PolarHBondContact O-N 3.19Å; M38-L77 HydrophobicContact CB-CD2 4.41Å; M38-L77 HydrophobicContact CE-CD2 3.92Å | ||
| 39 | N | 95.9 | Very high | 95.4 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | trans | -64.7 | 127.8 | 164.7 | -56.9 | -43.3 | 0 | 0 | 0 | 107.8 | F34 D35 H37 L72 R73 G74 | F34-N39 CarbonylContact C-O 3.45Å; F34-N39 VanDerWaalsContact CA-O 3.26Å; F34-N39 WeakPolarHBondContact CA-O 2.69Å; D35-N39 HydrophobicContact CB-CB 4.04Å; D35-N39 PolarHBondContact N-O 2.68Å; D35-N39 VanDerWaalsContact N-O 3.07Å; D35-N39 PolarHBondContact OD2-ND2 3.17Å; D35-N39 VanDerWaalsContact OD2-ND2 3.16Å; H37-N39 PolarHBondContact O-N 2.97Å; N39-L72 CarbonylContact C-O 3.58Å; N39-L72 WeakPolarHBondContact CA-O 3.39Å; N39-R73 WeakPolarHBondContact OD1-CA 3.31Å; N39-G74 PolarHBondContact OD1-N 3.19Å; N39-G74 VanDerWaalsContact OD1-N 3.15Å | ||
| 40 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 140.2 | -175.7 | -49.7 | -178.2 | 0 | 0 | 0 | 110.4 | M9 F31 A33 F34 M38 L71 L72 L77 M80 | M9-L40 HydrophobicContact CE-CD2 4.19Å; F31-L40 HydrophobicContact CD2-CB 4.38Å; F31-L40 HydrophobicContact CD2-CD2 4.38Å; F31-L40 HydrophobicContact CE2-CB 4.24Å; F31-L40 HydrophobicContact CE2-CD2 3.62Å; F31-L40 HydrophobicContact CE2-CG 4.39Å; F31-L40 HydrophobicContact CZ-CD2 4.34Å; A33-L40 WeakPolarHBondContact O-CA 3.2Å; F34-L40 HydrophobicContact CB-CD2 4Å; M38-L40 HydrophobicContact CE-CD2 4.42Å; M38-L40 WeakPolarHBondContact O-CG 3.41Å; M38-L40 PolarHBondContact O-N 3.47Å; L40-L71 CarbonylContact O-C 3.58Å; L40-L71 WeakPolarHBondContact O-CA 3.18Å; L40-L72 HydrophobicContact CB-CB 4.37Å; L40-L72 PolarHBondContact N-O 3.11Å; L40-L72 PolarHBondContact O-N 3.45Å; L40-L77 HydrophobicContact CD1-CD1 3.98Å; L40-L77 HydrophobicContact CD1-CD2 3.65Å; L40-L77 HydrophobicContact CD1-CG 4.44Å; L40-L77 HydrophobicContact CD2-CD2 4.38Å; L40-L77 HydrophobicContact CG-CD2 4.15Å; L40-M80 HydrophobicContact CD1-SD 3.93Å |
| 41 | I | 97 | Very high | 93.8 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.1 | 165.9 | -54.3 | -59 | 0 | 0 | 0 | 108 | K32 A33 L69 L71 | K32-I41 HydrophobicContact CB-CG2 4.31Å; K32-I41 PolarHBondContact N-O 3.38Å; A33-I41 HydrophobicContact CB-CB 4.07Å; A33-I41 HydrophobicContact CB-CG1 3.93Å; A33-I41 PolarHBondContact O-N 3.1Å; I41-L69 HydrophobicContact CG2-CD1 3.92Å; I41-L71 HydrophobicContact CD1-CB 3.88Å; I41-L71 HydrophobicContact CD1-CD1 3.69Å; I41-L71 HydrophobicContact CD1-CG 3.73Å |
| 42 | L | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.2 | 176.1 | -59.6 | 178.5 | 0 | 0 | 0 | 109 | F27 T30 F31 C45 V70 L72 | F27-L42 HydrophobicContact CB-CD1 4.08Å; T30-L42 CarbonylContact O-C 3.56Å; T30-L42 VanDerWaalsContact O-CA 3.3Å; T30-L42 WeakPolarHBondContact O-CA 3.3Å; F31-L42 HydrophobicContact CB-CD2 3.93Å; F31-L42 HydrophobicContact CD2-CD2 4.16Å; L42-C45 WeakPolarHBondContact CB-SG 3.43Å; L42-C45 PolarHBondContact O-SG 3.28Å; L42-V70 PolarHBondContact N-O 3.27Å; L42-V70 PolarHBondContact O-N 3.25Å; L42-L72 HydrophobicContact CD1-CD1 3.62Å; L42-L72 HydrophobicContact CD1-CG 4.37Å |
| 43 | C | 96.1 | Very high | 91.6 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 153.8 | 171.6 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | G29 T30 K32 C45 G68 | G29-C43 CarbonylContact C-O 3.59Å; G29-C43 WeakPolarHBondContact CA-O 3.26Å; T30-C43 PolarHBondContact N-O 3.26Å; T30-C43 PolarHBondContact O-N 3.05Å; K32-C43 HydrophobicContact CG-CB 4.29Å; K32-C43 VanDerWaalsContact CG-SG 3.57Å; C43-C45 PolarHBondContact O-N 3.26Å; C43-G68 CarbonylContact C-O 3.59Å |
| 44 | D | 95.2 | Very high | 90.5 | Very high | 97 Ų | 97 | 71.1 Ų | 71.1 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.4 | 46 | 179.1 | -58.9 | -40 | 0 | 0 | 0 | 113.2 | G68 | D44-G68 PolarHBondContact N-O 2.93Å |
| 45 | C | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 136.4 | -172.3 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | I28 L42 C43 L67 G68 V70 | I28-C45 CarbonylContact O-C 3.55Å; I28-C45 WeakPolarHBondContact O-CA 3.46Å; L42-C45 WeakPolarHBondContact CB-SG 3.43Å; L42-C45 PolarHBondContact O-SG 3.28Å; C43-C45 PolarHBondContact O-N 3.26Å; C45-L67 HydrophobicContact CB-CB 4.31Å; C45-L67 PolarHBondContact O-N 2.96Å; C45-G68 WeakPolarHBondContact CB-O 3.49Å; C45-G68 PolarHBondContact N-O 3.26Å; C45-G68 PolarHBondContact O-N 2.87Å; C45-G68 PolarHBondContact SG-O 3.43Å; C45-V70 HydrophobicContact CB-CB 4.26Å; C45-V70 HydrophobicContact CB-CG2 3.64Å |
| 46 | D | 96.4 | Very high | 88.2 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 6% | 0.059 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.8 | 167.1 | -68.9 | -42.7 | 0 | 0 | 0 | 109.5 | F27 I28 F48 K64 R65 | F27-D46 CarbonylContact C-O 3.56Å; F27-D46 WeakPolarHBondContact CA-O 3.36Å; I28-D46 PolarHBondContact N-O 2.79Å; I28-D46 PolarHBondContact O-N 2.86Å; D46-F48 HydrophobicContact CB-CD2 4.25Å; D46-F48 HydrophobicContact CB-CE2 3.5Å; D46-F48 HydrophobicContact CB-CZ 4.03Å; D46-K64 WeakPolarHBondContact OD1-CE 3.36Å; D46-K64 IonicContact OD1-NZ 3.73Å; D46-K64 WeakPolarHBondContact OD2-CE 3.46Å; D46-K64 IonicContact OD2-NZ 3.72Å; D46-K64 PolarHBondContact OD2-NZ 3.19Å; D46-R65 CarbonylContact C-O 3.56Å; D46-R65 WeakPolarHBondContact CA-O 3.48Å |
| 47 | E | 95.1 | Very high | 87.5 | Confident | 11 Ų | 11 | 76.5 Ų | 76.5 | 5% | 0.051 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.6 | 168.8 | 178.2 | -174.8 | 169 | 0 | 0 | 109.3 | R25 I26 F27 R49 K64 R65 L67 | R25-E47 VanDerWaalsContact CD-OE1 3.22Å; R25-E47 WeakPolarHBondContact CD-OE1 3.24Å; R25-E47 IonicContact CZ-OE1 3.55Å; R25-E47 IonicContact NE-OE1 3.56Å; R25-E47 IonicContact NH1-OE1 3.13Å; R25-E47 PolarHBondContact NH1-OE1 3.22Å; R25-E47 VanDerWaalsContact NH1-OE1 3.13Å; I26-E47 CarbonylContact O-C 3.52Å; I26-E47 WeakPolarHBondContact O-CA 3Å; F27-E47 HydrophobicContact CD1-CB 4.28Å; F27-E47 HydrophobicContact CE1-CB 4.02Å; F27-E47 HydrophobicContact CE1-CG 4.24Å; F27-E47 HydrophobicContact CE2-CG 4.26Å; F27-E47 HydrophobicContact CZ-CB 4.28Å; F27-E47 HydrophobicContact CZ-CG 3.98Å; E47-R49 HydrophobicContact CG-CG 4.43Å; E47-R49 IonicContact OE1-CZ 3.21Å; E47-R49 IonicContact OE1-NE 2.71Å; E47-R49 PolarHBondContact OE1-NE 3.25Å; E47-R49 IonicContact OE1-NH2 2.83Å; E47-R49 PolarHBondContact OE1-NH2 2.72Å; E47-R49 IonicContact OE2-NH2 3.73Å; E47-K64 CarbonylContact O-C 3.54Å; E47-R65 HydrophobicContact CB-CB 4.38Å; E47-R65 PolarHBondContact N-O 3.22Å; E47-R65 PolarHBondContact O-N 3.37Å; E47-L67 HydrophobicContact CB-CD1 3.77Å; E47-L67 HydrophobicContact CB-CG 4.28Å |
| 48 | F | 93.9 | Very high | 86.1 | Confident | 32 Ų | 32 | 77.9 Ų | 77.9 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.6 | 175.4 | -65.8 | -94.7 | 0 | 0 | 0 | 109.9 | I26 I28 D46 E62 E63 K64 | I26-F48 HydrophobicContact CB-CB 4.23Å; I26-F48 PolarHBondContact N-O 3.18Å; I26-F48 VanDerWaalsContact N-O 3.11Å; I26-F48 PolarHBondContact O-N 3.05Å; I28-F48 HydrophobicContact CB-CE2 4.07Å; I28-F48 HydrophobicContact CD1-CD2 3.92Å; I28-F48 HydrophobicContact CD1-CE2 3.51Å; I28-F48 HydrophobicContact CD1-CZ 4.19Å; I28-F48 HydrophobicContact CG1-CD2 4Å; I28-F48 HydrophobicContact CG1-CE2 3.81Å; D46-F48 HydrophobicContact CB-CD2 4.25Å; D46-F48 HydrophobicContact CB-CE2 3.5Å; D46-F48 HydrophobicContact CB-CZ 4.03Å; F48-E62 HydrophobicContact CB-CG 3.8Å; F48-E62 WeakPolarHBondContact CB-OE1 3.47Å; F48-E62 VanDerWaalsContact CD1-CD 3.49Å; F48-E62 HydrophobicContact CD1-CG 3.77Å; F48-E62 HydrophobicContact CG-CG 4.24Å; F48-E63 WeakPolarHBondContact CA-O 3.07Å; F48-K64 HydrophobicContact CD1-CB 4.23Å; F48-K64 HydrophobicContact CE1-CB 4.01Å; F48-K64 HydrophobicContact CE1-CD 4.13Å; F48-K64 HydrophobicContact CE1-CG 3.98Å; F48-K64 HydrophobicContact CZ-CD 4.16Å; F48-K64 HydrophobicContact CZ-CG 4.18Å |
| 49 | R | 90.9 | Very high | 84.7 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.8 | 175.7 | -63.8 | -177 | -179.4 | -173.3 | 2.3 | 110.4 | R25 E47 I51 E63 R65 | R25-R49 VanDerWaalsContact NH1-NH2 3.15Å; E47-R49 HydrophobicContact CG-CG 4.43Å; E47-R49 IonicContact OE1-CZ 3.21Å; E47-R49 IonicContact OE1-NE 2.71Å; E47-R49 PolarHBondContact OE1-NE 3.25Å; E47-R49 IonicContact OE1-NH2 2.83Å; E47-R49 PolarHBondContact OE1-NH2 2.72Å; E47-R49 IonicContact OE2-NH2 3.73Å; R49-I51 PolarHBondContact O-N 3.08Å; R49-E63 HydrophobicContact CB-CB 4.39Å; R49-E63 PolarHBondContact N-O 3.24Å; R49-E63 PolarHBondContact O-N 2.77Å; R49-R65 VanDerWaalsContact CZ-NH1 3.28Å; R49-R65 VanDerWaalsContact NH1-NH1 3.15Å |
| 50 | K | 80.1 | Confident | 83.3 | Confident | 138 Ų | 138 | 83.9 Ų | 83.9 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 99.9 | 173.5 | -161.4 | 178.2 | -162.1 | -175 | 0 | 109.7 | K52 E60 | K50-K52 PolarHBondContact O-N 2.93Å; K50-E60 WeakPolarHBondContact CE-OE1 3.25Å; K50-E60 WeakPolarHBondContact CE-OE2 3.42Å; K50-E60 IonicContact NZ-OE1 3.55Å; K50-E60 IonicContact NZ-OE2 2.68Å; K50-E60 PolarHBondContact NZ-OE2 2.91Å |
| 51 | I | 80.8 | Confident | 82.1 | Confident | 78 Ų | 78 | 93.4 Ų | 93.4 | 40% | 0.4 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 114.3 | 172.3 | -58.9 | -177.3 | 0 | 0 | 0 | 108.1 | R49 P53 R61 E63 | R49-I51 PolarHBondContact O-N 3.08Å; I51-P53 WeakPolarHBondContact O-CD 3.47Å; I51-R61 PolarHBondContact N-O 2.89Å; I51-E63 HydrophobicContact CD1-CB 3.78Å; I51-E63 HydrophobicContact CD1-CG 4.46Å; I51-E63 HydrophobicContact CG1-CB 4.18Å |
| 52 | K | 72.3 | Confident | 81.2 | Confident | 182 Ų | 182 | 95.4 Ų | 95.4 | 79% | 0.791 | 46% | 0.462 | S | S | * | . | trans | -65 | 118.3 | 168.2 | -67.3 | -175.8 | -179.4 | -179.5 | 0 | 108.1 | K50 K54 | K50-K52 PolarHBondContact O-N 2.93Å; K52-K54 PolarHBondContact O-N 3.15Å | ||
| 53 | P | 72.9 | Confident | 80.7 | Confident | 58 Ų | 58 | 98.4 Ų | 98.4 | 38% | 0.377 | 48% | 0.476 | S | S | . | . | trans | -63.4 | 132.1 | 179.3 | 25.3 | -32.1 | 0 | 0 | 0 | 109.1 | I51 N55 Q58 | I51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-N55 PolarHBondContact O-N 2.87Å; P53-Q58 HydrophobicContact CB-CB 4.4Å | ||
| 54 | K | 72.2 | Confident | 80.5 | Confident | 224 Ų | 224 | 102.4 Ų | 102.4 | 97% | 0.974 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -68.9 | -11.2 | 175.7 | -71.5 | -175.9 | 178.4 | -178.7 | 0 | 112.9 | K52 | K52-K54 PolarHBondContact O-N 3.15Š|
| 55 | N | 73 | Confident | 80.5 | Confident | 108 Ų | 108 | 102.2 Ų | 102.2 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -135.6 | 127.1 | -176.6 | -153.3 | -13.8 | 0 | 0 | 0 | 109.7 | P53 K57 Q58 | P53-N55 PolarHBondContact O-N 2.87Å; N55-K57 PolarHBondContact O-N 3.16Å; N55-Q58 PolarHBondContact O-N 2.87Å |
| 56 | S | 68.3 | Low | 80.4 | Confident | 122 Ų | 122 | 107.6 Ų | 107.6 | 85% | 0.853 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -5.4 | -169 | 48.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 57 | K | 77.7 | Confident | 80.4 | Confident | 194 Ų | 194 | 110.8 Ų | 110.8 | 84% | 0.843 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -5.2 | 178.6 | -72.5 | -177 | 177.7 | -179.4 | 0 | 114.9 | N55 | N55-K57 PolarHBondContact O-N 3.16Š|
| 58 | Q | 65.7 | Low | 80.4 | Confident | 135 Ų | 135 | 111.2 Ų | 111.2 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -99.1 | 135.9 | 179.9 | -75 | -75.2 | -14.7 | 0 | 0 | 110.6 | P53 N55 | P53-Q58 HydrophobicContact CB-CB 4.4Å; N55-Q58 PolarHBondContact O-N 2.87Å |
| 59 | P | 66.4 | Low | 80.5 | Confident | 103 Ų | 103 | 116 Ų | 116 | 67% | 0.669 | 57% | 0.565 | S | S | * | * | trans | -59.7 | 147.4 | 175.6 | 25.6 | -33.1 | 0 | 0 | 0 | 110.6 | R61 | P59-R61 PolarHBondContact O-N 2.85Å; P59-R61 VanDerWaalsContact O-N 3.1Å | ||
| 60 | E | 65.5 | Low | 80.8 | Confident | 119 Ų | 119 | 113.8 Ų | 113.8 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | trans | -57.3 | 115.3 | 176.1 | -159.9 | -169.4 | 110.7 | 0 | 0 | 109.2 | K50 | K50-E60 WeakPolarHBondContact CE-OE1 3.25Å; K50-E60 WeakPolarHBondContact CE-OE2 3.42Å; K50-E60 IonicContact NZ-OE1 3.55Å; K50-E60 IonicContact NZ-OE2 2.68Å; K50-E60 PolarHBondContact NZ-OE2 2.91Å | ||
| 61 | R | 71.9 | Confident | 81.6 | Confident | 200 Ų | 200 | 112.9 Ų | 112.9 | 76% | 0.755 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.6 | -177.5 | -171.6 | 175.8 | 178.5 | -176.3 | -0.6 | 109.3 | I51 P59 | I51-R61 PolarHBondContact N-O 2.89Å; P59-R61 PolarHBondContact O-N 2.85Å; P59-R61 VanDerWaalsContact O-N 3.1Å |
| 62 | E | 78.1 | Confident | 82.3 | Confident | 92 Ų | 92 | 109.9 Ų | 109.9 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.1 | 171.4 | -154.3 | 174.4 | -171.2 | 0 | 0 | 108.7 | F48 | F48-E62 HydrophobicContact CB-CG 3.8Å; F48-E62 WeakPolarHBondContact CB-OE1 3.47Å; F48-E62 VanDerWaalsContact CD1-CD 3.49Å; F48-E62 HydrophobicContact CD1-CG 3.77Å; F48-E62 HydrophobicContact CG-CG 4.24Å |
| 63 | E | 86.9 | Confident | 83.4 | Confident | 63 Ų | 63 | 107.6 Ų | 107.6 | 29% | 0.294 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.3 | 175.8 | -175.2 | -169.7 | 163.8 | 0 | 0 | 108.9 | F48 R49 I51 R65 | F48-E63 WeakPolarHBondContact CA-O 3.07Å; R49-E63 HydrophobicContact CB-CB 4.39Å; R49-E63 PolarHBondContact N-O 3.24Å; R49-E63 PolarHBondContact O-N 2.77Å; I51-E63 HydrophobicContact CD1-CB 3.78Å; I51-E63 HydrophobicContact CD1-CG 4.46Å; I51-E63 HydrophobicContact CG1-CB 4.18Å; E63-R65 IonicContact OE1-CZ 3.26Å; E63-R65 VanDerWaalsContact OE1-CZ 3.26Å; E63-R65 IonicContact OE1-NE 2.86Å; E63-R65 PolarHBondContact OE1-NE 3.44Å; E63-R65 IonicContact OE1-NH2 2.78Å; E63-R65 PolarHBondContact OE1-NH2 3.2Å; E63-R65 IonicContact OE2-NH2 3.61Å |
| 64 | K | 91.5 | Very high | 84.6 | Confident | 115 Ų | 115 | 105.4 Ų | 105.4 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.5 | 177.3 | 180 | 178.6 | 176.8 | 164.8 | 0 | 110.9 | D46 E47 F48 | D46-K64 WeakPolarHBondContact OD1-CE 3.36Å; D46-K64 IonicContact OD1-NZ 3.73Å; D46-K64 WeakPolarHBondContact OD2-CE 3.46Å; D46-K64 IonicContact OD2-NZ 3.72Å; D46-K64 PolarHBondContact OD2-NZ 3.19Å; E47-K64 CarbonylContact O-C 3.54Å; F48-K64 HydrophobicContact CD1-CB 4.23Å; F48-K64 HydrophobicContact CE1-CB 4.01Å; F48-K64 HydrophobicContact CE1-CD 4.13Å; F48-K64 HydrophobicContact CE1-CG 3.98Å; F48-K64 HydrophobicContact CZ-CD 4.16Å; F48-K64 HydrophobicContact CZ-CG 4.18Å |
| 65 | R | 94.8 | Very high | 85.7 | Confident | 93 Ų | 93 | 101 Ų | 101 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.8 | 170.9 | -63.6 | -178.1 | -176.3 | -169.9 | 0.2 | 110.1 | D46 E47 R49 E63 | D46-R65 CarbonylContact C-O 3.56Å; D46-R65 WeakPolarHBondContact CA-O 3.48Å; E47-R65 HydrophobicContact CB-CB 4.38Å; E47-R65 PolarHBondContact N-O 3.22Å; E47-R65 PolarHBondContact O-N 3.37Å; R49-R65 VanDerWaalsContact CZ-NH1 3.28Å; R49-R65 VanDerWaalsContact NH1-NH1 3.15Å; E63-R65 IonicContact OE1-CZ 3.26Å; E63-R65 VanDerWaalsContact OE1-CZ 3.26Å; E63-R65 IonicContact OE1-NE 2.86Å; E63-R65 PolarHBondContact OE1-NE 3.44Å; E63-R65 IonicContact OE1-NH2 2.78Å; E63-R65 PolarHBondContact OE1-NH2 3.2Å; E63-R65 IonicContact OE2-NH2 3.61Å |
| 66 | V | 95.3 | Very high | 86.8 | Confident | 114 Ų | 114 | 99.2 Ų | 99.2 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.4 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 67 | L | 95.1 | Very high | 88.1 | Confident | 77 Ų | 77 | 94.8 Ų | 94.8 | 40% | 0.403 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -38.7 | -179.6 | -60.2 | 177.8 | 0 | 0 | 0 | 112.5 | F27 C45 E47 V70 | F27-L67 HydrophobicContact CD1-CD1 3.87Å; F27-L67 HydrophobicContact CE1-CD1 3.34Å; F27-L67 HydrophobicContact CZ-CD1 4.38Å; C45-L67 HydrophobicContact CB-CB 4.31Å; C45-L67 PolarHBondContact O-N 2.96Å; E47-L67 HydrophobicContact CB-CD1 3.77Å; E47-L67 HydrophobicContact CB-CG 4.28Å; L67-V70 HydrophobicContact CB-CG2 3.58Å; L67-V70 HydrophobicContact CD1-CG2 3.79Å; L67-V70 HydrophobicContact CG-CG2 4.36Å |
| 68 | G | 95.8 | Very high | 89 | Confident | 21 Ų | 21 | 90 Ų | 90 | 22% | 0.216 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 88 | -116.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C43 D44 C45 | C43-G68 CarbonylContact C-O 3.59Å; D44-G68 PolarHBondContact N-O 2.93Å; C45-G68 WeakPolarHBondContact CB-O 3.49Å; C45-G68 PolarHBondContact N-O 3.26Å; C45-G68 PolarHBondContact O-N 2.87Å; C45-G68 PolarHBondContact SG-O 3.43Å |
| 69 | L | 95.8 | Very high | 90.3 | Very high | 132 Ų | 132 | 85.9 Ų | 85.9 | 69% | 0.691 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125 | 179 | -178.4 | 66.8 | 0 | 0 | 0 | 110.9 | I41 | I41-L69 HydrophobicContact CG2-CD1 3.92Å |
| 70 | V | 96.7 | Very high | 91.7 | Very high | 22 Ų | 22 | 82.9 Ų | 82.9 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.2 | -177.4 | -179 | 0 | 0 | 0 | 0 | 110.9 | F27 L42 C45 L67 L72 | F27-V70 HydrophobicContact CD1-CG1 4.5Å; F27-V70 HydrophobicContact CE1-CG1 4.36Å; L42-V70 PolarHBondContact N-O 3.27Å; L42-V70 PolarHBondContact O-N 3.25Å; C45-V70 HydrophobicContact CB-CB 4.26Å; C45-V70 HydrophobicContact CB-CG2 3.64Å; L67-V70 HydrophobicContact CB-CG2 3.58Å; L67-V70 HydrophobicContact CD1-CG2 3.79Å; L67-V70 HydrophobicContact CG-CG2 4.36Å; V70-L72 HydrophobicContact CG1-CD2 3.82Å; V70-L72 HydrophobicContact CG1-CG 4.03Å |
| 71 | L | 96.2 | Very high | 93.1 | Very high | 119 Ų | 119 | 80.6 Ų | 80.6 | 62% | 0.623 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 114.6 | 164.3 | -175.8 | 155.6 | 0 | 0 | 0 | 108.6 | L40 I41 | L40-L71 CarbonylContact O-C 3.58Å; L40-L71 WeakPolarHBondContact O-CA 3.18Å; I41-L71 HydrophobicContact CD1-CB 3.88Å; I41-L71 HydrophobicContact CD1-CD1 3.69Å; I41-L71 HydrophobicContact CD1-CG 3.73Å |
| 72 | L | 96.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 74.4 Ų | 74.4 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.1 | 173 | -67.4 | 179.8 | 0 | 0 | 0 | 110.1 | C19 L21 F27 N39 L40 L42 V70 | C19-L72 HydrophobicContact CB-CD1 4.14Å; L21-L72 HydrophobicContact CD1-CD1 4.17Å; L21-L72 HydrophobicContact CD2-CD2 4.45Å; F27-L72 HydrophobicContact CB-CD1 4.19Å; F27-L72 HydrophobicContact CD1-CD2 4.25Å; F27-L72 HydrophobicContact CD2-CD1 4.45Å; F27-L72 HydrophobicContact CD2-CD2 4.39Å; F27-L72 HydrophobicContact CE1-CD2 4.13Å; F27-L72 HydrophobicContact CE2-CD2 4.31Å; F27-L72 HydrophobicContact CG-CD1 4.19Å; F27-L72 HydrophobicContact CG-CD2 4.37Å; F27-L72 HydrophobicContact CZ-CD2 4.17Å; N39-L72 CarbonylContact C-O 3.58Å; N39-L72 WeakPolarHBondContact CA-O 3.39Å; L40-L72 HydrophobicContact CB-CB 4.37Å; L40-L72 PolarHBondContact N-O 3.11Å; L40-L72 PolarHBondContact O-N 3.45Å; L42-L72 HydrophobicContact CD1-CD1 3.62Å; L42-L72 HydrophobicContact CD1-CG 4.37Å; V70-L72 HydrophobicContact CG1-CD2 3.82Å; V70-L72 HydrophobicContact CG1-CG 4.03Å |
| 73 | R | 96.4 | Very high | 95.1 | Very high | 135 Ų | 135 | 73.8 Ų | 73.8 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | trans | -82.8 | 130.5 | 173 | -175.2 | 150.8 | 177.4 | 83.6 | -4.2 | 110.3 | N39 E75 N76 | N39-R73 WeakPolarHBondContact OD1-CA 3.31Å; R73-E75 HydrophobicContact CG-CB 4.26Å; R73-E75 IonicContact NE-OE2 3.59Å; R73-E75 PolarHBondContact O-N 3.26Å; R73-N76 PolarHBondContact O-N 3.28Å | ||
| 74 | G | 96.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 71.4 Ų | 71.4 | 11% | 0.113 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -67.5 | -19.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H37 M38 N39 N76 L77 | H37-G74 WeakPolarHBondContact O-CA 3.08Å; M38-G74 WeakPolarHBondContact O-CA 3.35Å; M38-G74 PolarHBondContact O-N 3.19Å; N39-G74 PolarHBondContact OD1-N 3.19Å; N39-G74 VanDerWaalsContact OD1-N 3.15Å; G74-N76 VanDerWaalsContact C-N 3.26Å; G74-N76 PolarHBondContact O-N 2.83Å; G74-L77 WeakPolarHBondContact O-CB 3.43Å; G74-L77 PolarHBondContact O-N 2.84Å |
| 75 | E | 96.7 | Very high | 95.6 | Very high | 131 Ų | 131 | 70.8 Ų | 70.8 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -59.6 | -36.8 | 173.2 | -175 | 177.6 | 172.8 | 0 | 0 | 112.5 | Q22 R73 | Q22-E75 PolarHBondContact NE2-O 3.31Å; R73-E75 HydrophobicContact CG-CB 4.26Å; R73-E75 IonicContact NE-OE2 3.59Å; R73-E75 PolarHBondContact O-N 3.26Å |
| 76 | N | 95.6 | Very high | 95.6 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -86.8 | -7.3 | -179.3 | -65.4 | -54.3 | 0 | 0 | 0 | 113.1 | L21 Q22 R73 G74 | L21-N76 CarbonylContact C-O 3.59Å; L21-N76 WeakPolarHBondContact CA-O 3.26Å; L21-N76 HydrophobicContact CD2-CB 4.42Å; L21-N76 HydrophobicContact CG-CB 4.38Å; Q22-N76 PolarHBondContact N-O 2.71Å; R73-N76 PolarHBondContact O-N 3.28Å; G74-N76 VanDerWaalsContact C-N 3.26Å; G74-N76 PolarHBondContact O-N 2.83Å |
| 77 | L | 95.7 | Very high | 95.2 | Very high | 28 Ų | 28 | 66.3 Ų | 66.3 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.6 | -177 | -177.2 | 71.3 | 0 | 0 | 0 | 110.1 | C19 M38 L40 G74 | C19-L77 HydrophobicContact CB-CD1 3.86Å; M38-L77 HydrophobicContact CB-CD2 4.41Å; M38-L77 HydrophobicContact CE-CD2 3.92Å; L40-L77 HydrophobicContact CD1-CD1 3.98Å; L40-L77 HydrophobicContact CD1-CD2 3.65Å; L40-L77 HydrophobicContact CD1-CG 4.44Å; L40-L77 HydrophobicContact CD2-CD2 4.38Å; L40-L77 HydrophobicContact CG-CD2 4.15Å; G74-L77 WeakPolarHBondContact O-CB 3.43Å; G74-L77 PolarHBondContact O-N 2.84Å |
| 78 | V | 95.6 | Very high | 94.6 | Very high | 94 Ų | 94 | 72.6 Ų | 72.6 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -50.7 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | I20 Q22 | I20-V78 PolarHBondContact O-N 3.13Å; Q22-V78 HydrophobicContact CB-CG2 4.17Å; Q22-V78 HydrophobicContact CG-CG2 3.53Å |
| 79 | S | 94.3 | Very high | 93.3 | Very high | 49 Ų | 49 | 78.2 Ų | 78.2 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159.1 | -178.7 | 65 | 0 | 0 | 0 | 0 | 111.7 | I20 | I20-S79 PolarHBondContact N-O 2.62Å; I20-S79 PolarHBondContact O-N 2.78Å |
| 80 | M | 94.8 | Very high | 91.4 | Very high | 40 Ų | 40 | 77.2 Ų | 77.2 | 20% | 0.197 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 134.5 | 177.2 | -170.6 | 179.4 | 53.2 | 0 | 0 | 109.6 | M9 M17 R18 F31 L40 | M9-M80 HydrophobicContact CE-CE 3.45Å; M9-M80 VanDerWaalsContact CE-CE 3.45Å; M9-M80 HydrophobicContact SD-CE 3.75Å; M17-M80 HydrophobicContact CB-CG 3.88Å; M17-M80 HydrophobicContact CB-SD 3.87Å; M17-M80 HydrophobicContact CE-CE 3.67Å; M17-M80 HydrophobicContact CE-CG 3.55Å; M17-M80 HydrophobicContact CE-SD 3.72Å; M17-M80 HydrophobicContact CG-CG 4.37Å; M17-M80 HydrophobicContact CG-SD 3.97Å; R18-M80 CarbonylContact O-C 3.59Å; R18-M80 VanDerWaalsContact O-CA 3.24Å; R18-M80 WeakPolarHBondContact O-CA 3.39Å; F31-M80 HydrophobicContact CD2-SD 4.47Å; F31-M80 HydrophobicContact CG-SD 4.45Å; L40-M80 HydrophobicContact CD1-SD 3.93Å |
| 81 | T | 96.2 | Very high | 89.4 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 153.2 | 178.8 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | M17 R18 E83 | M17-T81 CarbonylContact C-O 3.58Å; M17-T81 WeakPolarHBondContact CA-O 3.47Å; R18-T81 PolarHBondContact N-O 3.07Å; R18-T81 PolarHBondContact O-N 2.83Å; T81-E83 PolarHBondContact O-N 2.85Å |
| 82 | V | 96.7 | Very high | 87.5 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.3 | 175.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | F15 M17 | F15-V82 HydrophobicContact CD1-CG1 3.64Å; F15-V82 HydrophobicContact CE1-CG1 4.35Å; F15-V82 HydrophobicContact CG-CG1 4.45Å; M17-V82 HydrophobicContact CE-CG2 3.98Å; M17-V82 HydrophobicContact SD-CB 4.22Å; M17-V82 HydrophobicContact SD-CG2 3.72Å |
| 83 | E | 94.9 | Very high | 85.3 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -40.9 | 176 | -168.8 | -87.4 | 156.9 | 0 | 0 | 111.3 | R16 R18 I28 T81 | R16-E83 WeakPolarHBondContact CD-OE2 3.16Å; R16-E83 WeakPolarHBondContact CG-OE2 3.26Å; R16-E83 IonicContact CZ-OE2 2.72Å; R16-E83 IonicContact NE-OE2 3.57Å; R16-E83 IonicContact NH1-OE1 3.74Å; R16-E83 IonicContact NH1-OE2 2.94Å; R16-E83 PolarHBondContact NH1-OE2 2.9Å; R16-E83 WeakPolarHBondContact O-CA 3.49Å; R16-E83 WeakPolarHBondContact O-CB 3.44Å; R16-E83 PolarHBondContact O-N 2.84Å; R18-E83 HydrophobicContact CB-CB 4.36Å; I28-E83 HydrophobicContact CG2-CB 4.35Å; I28-E83 HydrophobicContact CG2-CG 4.04Å; T81-E83 PolarHBondContact O-N 2.85Å |
| 84 | G | 94.9 | Very high | 83.3 | Confident | 12 Ų | 12 | 88.5 Ų | 88.5 | 12% | 0.124 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 163.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R16 | R16-G84 PolarHBondContact N-O 2.86Å; R16-G84 VanDerWaalsContact N-O 3.1Å; R16-G84 PolarHBondContact O-N 2.85Å; R16-G84 VanDerWaalsContact O-N 3.12Å |
| 85 | P | 94.5 | Very high | 81.1 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 67% | 0.669 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 162 | 177.2 | 29.9 | -35.9 | 0 | 0 | 0 | 111.1 | P87 | P85-P87 WeakPolarHBondContact O-CD 3.47Š|
| 86 | P | 92.9 | Very high | 78.9 | Confident | 50 Ų | 50 | 93.1 Ų | 93.1 | 33% | 0.325 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 126.5 | 175.1 | -26 | 36 | 0 | 0 | 0 | 111.8 | D14 F15 K88 | D14-P86 HydrophobicContact CB-CB 4.08Å; D14-P86 HydrophobicContact CB-CG 4.44Å; D14-P86 WeakPolarHBondContact O-CA 3.49Å; D14-P86 VanDerWaalsContact O-CB 3.26Å; D14-P86 WeakPolarHBondContact O-CB 3.38Å; F15-P86 HydrophobicContact CD1-CG 4.2Å; F15-P86 HydrophobicContact CD2-CG 3.62Å; F15-P86 HydrophobicContact CE1-CG 4.25Å; F15-P86 HydrophobicContact CE2-CG 3.64Å; F15-P86 HydrophobicContact CG-CG 3.9Å; F15-P86 HydrophobicContact CZ-CG 3.97Å; P86-K88 PolarHBondContact O-N 2.88Å |
| 87 | P | 88.6 | Confident | 76.9 | Confident | 63 Ų | 63 | 95.5 Ų | 95.5 | 41% | 0.409 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 136.4 | 168.8 | -22.6 | 34.1 | 0 | 0 | 0 | 109.7 | D14 P85 D89 | D14-P87 WeakPolarHBondContact O-CD 3.38Å; P85-P87 WeakPolarHBondContact O-CD 3.47Å; P87-D89 VanDerWaalsContact C-N 3.32Å; P87-D89 PolarHBondContact O-N 3.09Å |
| 88 | K | 81.7 | Confident | 75 | Confident | 208 Ų | 208 | 99 Ų | 99 | 90% | 0.904 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -73.1 | 87.7 | 177.6 | -52 | 178.8 | -173.2 | -177.5 | 0 | 108 | P86 | P86-K88 PolarHBondContact O-N 2.88Š|
| 89 | D | 68 | Low | 73.2 | Confident | 139 Ų | 139 | 98.2 Ų | 98.2 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | trans | 31.4 | 97.6 | 174.5 | -86.2 | -61.9 | 0 | 0 | 0 | 117.1 | P87 G91 | P87-D89 VanDerWaalsContact C-N 3.32Å; P87-D89 PolarHBondContact O-N 3.09Å; D89-G91 VanDerWaalsContact C-N 3.33Å; D89-G91 PolarHBondContact O-N 3.35Å | ||
| 90 | T | 56.3 | Low | 71.2 | Confident | 112 Ų | 112 | 101.1 Ų | 101.1 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | trans | -84.7 | 89 | 141.8 | 31.3 | 0 | 0 | 0 | 0 | 106.9 | I92 | T90-I92 PolarHBondContact O-N 3.07Š| ||
| 91 | G | 55.7 | Low | 69.2 | Low | 54 Ų | 54 | 104 Ų | 104 | 56% | 0.557 | 63% | 0.634 | S | S | * | * | trans | -44.9 | 134.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D89 A93 | D89-G91 VanDerWaalsContact C-N 3.33Å; D89-G91 PolarHBondContact O-N 3.35Å; G91-A93 PolarHBondContact O-N 3.34Å; G91-A93 VanDerWaalsContact O-N 3.07Å | ||
| 92 | I | 54.9 | Low | 66.9 | Low | 153 Ų | 153 | 103.6 Ų | 103.6 | 79% | 0.785 | 64% | 0.644 | S | S | * | * | trans | -22.4 | 117 | 162.5 | -60.4 | 159.2 | 0 | 0 | 0 | 107.6 | T90 R94 | T90-I92 PolarHBondContact O-N 3.07Å; I92-R94 PolarHBondContact O-N 2.76Å | ||
| 93 | A | 51.2 | Low | 65.1 | Low | 92 Ų | 92 | 102.7 Ų | 102.7 | 76% | 0.76 | 65% | 0.649 | S | S | * | * | trans | -50.9 | 94.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | G91 V95 | G91-A93 PolarHBondContact O-N 3.34Å; G91-A93 VanDerWaalsContact O-N 3.07Å; A93-V95 PolarHBondContact O-N 2.9Å | ||
| 94 | R | 53.1 | Low | 63.2 | Low | 228 Ų | 228 | 106 Ų | 106 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | trans | -64.3 | 101.5 | 169.8 | -72.5 | -175.6 | 172.3 | 160.1 | -0.9 | 101.3 | I92 P96 | I92-R94 PolarHBondContact O-N 2.76Å; R94-P96 VanDerWaalsContact O-CD 3.28Å; R94-P96 WeakPolarHBondContact O-CD 3.45Å | ||
| 95 | V | 49.9 | Very low | 61.7 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 75% | 0.745 | 71% | 0.711 | S | S | * | * | trans | -36.8 | 117.8 | 151.5 | -178.6 | 0 | 0 | 0 | 0 | 103.9 | A93 L97 | A93-V95 PolarHBondContact O-N 2.9Å; V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 PolarHBondContact O-N 3.49Å | ||
| 96 | P | 51.3 | Low | 60 | Low | 116 Ų | 116 | 109.6 Ų | 109.6 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | trans | -54.7 | 105 | 174 | -23.3 | 32.8 | 0 | 0 | 0 | 105.3 | R94 A98 | R94-P96 VanDerWaalsContact O-CD 3.28Å; R94-P96 WeakPolarHBondContact O-CD 3.45Å; P96-A98 PolarHBondContact O-N 2.88Å | ||
| 97 | L | 52.7 | Low | 58.6 | Low | 122 Ų | 122 | 110.7 Ų | 110.7 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | trans | -65.6 | 101.8 | 172.3 | 174.1 | 67.1 | 0 | 0 | 0 | 103.2 | V95 G99 V100 | V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 PolarHBondContact O-N 3.49Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.87Å; L97-V100 HydrophobicContact CB-CG2 3.73Å; L97-V100 HydrophobicContact CD2-CG2 4.02Å; L97-V100 HydrophobicContact CG-CG2 4.09Å; L97-V100 VanDerWaalsContact O-CG2 3.31Å; L97-V100 WeakPolarHBondContact O-CG2 3.47Å; L97-V100 PolarHBondContact O-N 3.1Å | ||
| 98 | A | 56.2 | Low | 57.2 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 103.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | P96 | P96-A98 PolarHBondContact O-N 2.88Š|
| 99 | G | 58.8 | Low | 56.4 | Low | 77 Ų | 77 | 114 Ų | 114 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.1 | -7.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | L97 A101 | L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.87Å; G99-A101 PolarHBondContact O-N 3.16Å |
| 100 | V | 52.1 | Low | 56 | Low | 109 Ų | 109 | 112.6 Ų | 112.6 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -80.4 | 113.8 | 170.6 | -111.2 | 0 | 0 | 0 | 0 | 110 | L97 G102 | L97-V100 HydrophobicContact CB-CG2 3.73Å; L97-V100 HydrophobicContact CD2-CG2 4.02Å; L97-V100 HydrophobicContact CG-CG2 4.09Å; L97-V100 VanDerWaalsContact O-CG2 3.31Å; L97-V100 WeakPolarHBondContact O-CG2 3.47Å; L97-V100 PolarHBondContact O-N 3.1Å; V100-G102 PolarHBondContact O-N 3.17Å |
| 101 | A | 51.5 | Low | 55.8 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -41 | 129.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | G99 | G99-A101 PolarHBondContact O-N 3.16Š| ||
| 102 | G | 49.8 | Very low | 56 | Low | 61 Ų | 61 | 120 Ų | 120 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V100 | V100-G102 PolarHBondContact O-N 3.17Š|
| 103 | G | 58.3 | Low | 56 | Low | 51 Ų | 51 | 116 Ų | 116 | 53% | 0.526 | 77% | 0.774 | S | S | . | * | P | Polyproline II helix | trans | -73.3 | 162.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G105 | G103-G105 PolarHBondContact O-N 3.48Š|
| 104 | P | 55.2 | Low | 56 | Low | 151 Ų | 151 | 118.2 Ų | 118.2 | 98% | 0.981 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 120.9 | 177.8 | -19.3 | 31.1 | 0 | 0 | 0 | 110.4 | ||
| 105 | G | 62.1 | Low | 55.9 | Low | 80 Ų | 80 | 112.9 Ų | 112.9 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.5 | 10.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G103 G107 | G103-G105 PolarHBondContact O-N 3.48Å; G105-G107 PolarHBondContact O-N 3.34Å |
| 106 | V | 60.1 | Low | 56.2 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | trans | -72.1 | 113.8 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | R108 | V106-R108 PolarHBondContact O-N 3.39Š| ||
| 107 | G | 63.9 | Low | 56.5 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -66 | 110.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G105 A109 | G105-G107 PolarHBondContact O-N 3.34Å; G107-A109 PolarHBondContact O-N 2.65Å | ||
| 108 | R | 59.5 | Low | 56.3 | Low | 244 Ų | 244 | 108.9 Ų | 108.9 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -63.3 | 121 | 165.8 | -91.8 | -171.9 | 174.6 | 176.4 | -0.6 | 108.3 | V106 A110 | V106-R108 PolarHBondContact O-N 3.39Å; R108-A110 PolarHBondContact O-N 3.34Å | ||
| 109 | A | 63.2 | Low | 56 | Low | 96 Ų | 96 | 110.1 Ų | 110.1 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -57.9 | 123.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | G107 G111 | G107-A109 PolarHBondContact O-N 2.65Å; A109-G111 PolarHBondContact O-N 2.74Å | ||
| 110 | A | 59.5 | Low | 55.7 | Low | 110 Ų | 110 | 114.7 Ų | 114.7 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -71.5 | 77.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | R108 R112 | R108-A110 PolarHBondContact O-N 3.34Å; A110-R112 PolarHBondContact O-N 3.44Å | ||
| 111 | G | 53.1 | Low | 55.8 | Low | 65 Ų | 65 | 114.9 Ų | 114.9 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -74.3 | 103.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A109 | A109-G111 PolarHBondContact O-N 2.74Š| ||
| 112 | R | 59.1 | Low | 56 | Low | 255 Ų | 255 | 119.5 Ų | 119.5 | 96% | 0.962 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 14.1 | 109.7 | 145.5 | -168.9 | 154.6 | 176.1 | 151.8 | -6.3 | 117 | A110 | A110-R112 PolarHBondContact O-N 3.44Š|
| 113 | G | 55 | Low | 56.1 | Low | 71 Ų | 71 | 120.6 Ų | 120.6 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 97.4 | 78.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 114 | V | 51.7 | Low | 55.9 | Low | 138 Ų | 138 | 124.2 Ų | 124.2 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -88.3 | 124.8 | 164.6 | -157.2 | 0 | 0 | 0 | 0 | 107.5 | A116 | V114-A116 PolarHBondContact O-N 2.93Š| ||
| 115 | P | 50.3 | Low | 56.1 | Low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | trans | -63.6 | 132.5 | 175.3 | 24.4 | -31.2 | 0 | 0 | 0 | 110.2 | G117 | P115-G117 PolarHBondContact O-N 2.82Š| ||
| 116 | A | 56.2 | Low | 56.2 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 93% | 0.934 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -61.8 | 115.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V114 | V114-A116 PolarHBondContact O-N 2.93Š|
| 117 | G | 58.5 | Low | 56.3 | Low | 79 Ų | 79 | 125.2 Ų | 125.2 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | 162.2 | 13.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | P115 | P115-G117 PolarHBondContact O-N 2.82Š| ||
| 118 | A | 48.3 | Very low | 56 | Low | 86 Ų | 86 | 126.6 Ų | 126.6 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | -109.8 | 133 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M120 | A118-M120 PolarHBondContact O-N 3.1Š| ||
| 119 | P | 50.5 | Low | 56.3 | Low | 128 Ų | 128 | 117.5 Ų | 117.5 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 116.3 | 177.8 | 27.1 | -28.3 | 0 | 0 | 0 | 109.3 | ||
| 120 | M | 52.6 | Low | 56.2 | Low | 172 Ų | 172 | 119.4 Ų | 119.4 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 132.1 | 178.4 | -79.6 | -76.2 | -71.2 | 0 | 0 | 110.6 | A118 Q122 | A118-M120 PolarHBondContact O-N 3.1Å; M120-Q122 PolarHBondContact O-N 3.36Å |
| 121 | P | 54.5 | Low | 56.1 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63 | 129.7 | 166.3 | -16.8 | 29.9 | 0 | 0 | 0 | 110 | A123 | P121-A123 PolarHBondContact O-N 2.94Š|
| 122 | Q | 54.3 | Low | 56.2 | Low | 198 Ų | 198 | 128.6 Ų | 128.6 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 117.8 | -178.4 | -162.8 | 169.1 | -29.7 | 0 | 0 | 110.5 | M120 | M120-Q122 PolarHBondContact O-N 3.36Š|
| 123 | A | 51.7 | Low | 56.4 | Low | 84 Ų | 84 | 120 Ų | 120 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 146.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P121 | P121-A123 PolarHBondContact O-N 2.94Š|
| 124 | P | 54.8 | Low | 56.7 | Low | 127 Ų | 127 | 122.9 Ų | 122.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135.9 | -175.9 | -23.1 | 32.7 | 0 | 0 | 0 | 113.7 | G126 | P124-G126 PolarHBondContact O-N 2.92Å; P124-G126 VanDerWaalsContact O-N 3.1Å |
| 125 | A | 59.7 | Low | 57.4 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 96% | 0.959 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 103 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 126 | G | 63.1 | Low | 58.3 | Low | 71 Ų | 71 | 117.8 Ų | 117.8 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.3 | -15.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | P124 | P124-G126 PolarHBondContact O-N 2.92Å; P124-G126 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 63.6 | Low | 58.6 | Low | 174 Ų | 174 | 116.7 Ų | 116.7 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -124 | 48.1 | 176.1 | -134.5 | 85.7 | 0 | 0 | 0 | 111.6 | G129 | L127-G129 PolarHBondContact O-N 3.1Å; L127-G129 VanDerWaalsContact O-N 3.11Å | ||
| 128 | A | 57.8 | Low | 58.6 | Low | 102 Ų | 102 | 116.1 Ų | 116.1 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 105.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 129 | G | 64.2 | Low | 59.2 | Low | 53 Ų | 53 | 120.5 Ų | 120.5 | 55% | 0.546 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -57 | 160 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L127 V131 | L127-G129 PolarHBondContact O-N 3.1Å; L127-G129 VanDerWaalsContact O-N 3.11Å; G129-V131 PolarHBondContact O-N 2.81Å |
| 130 | P | 62.9 | Low | 59.7 | Low | 136 Ų | 136 | 122.4 Ų | 122.4 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -52.9 | 131 | 179.6 | 19.1 | -29.6 | 0 | 0 | 0 | 110.7 | R132 | P130-R132 PolarHBondContact O-N 3.41Š|
| 131 | V | 55.8 | Low | 60.3 | Low | 115 Ų | 115 | 119.3 Ų | 119.3 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 125.9 | -175.7 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | G129 G133 | G129-V131 PolarHBondContact O-N 2.81Å; V131-G133 PolarHBondContact O-N 2.79Å |
| 132 | R | 56.8 | Low | 60.6 | Low | 253 Ų | 253 | 120.9 Ų | 120.9 | 96% | 0.955 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 100.8 | 170.9 | -178.2 | 173.8 | 176.1 | 145 | -2 | 108.7 | P130 | P130-R132 PolarHBondContact O-N 3.41Š|
| 133 | G | 62.5 | Low | 61.2 | Low | 74 Ų | 74 | 116 Ų | 116 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.5 | 0.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | V131 | V131-G133 PolarHBondContact O-N 2.79Š|
| 134 | V | 61.9 | Low | 61.6 | Low | 132 Ų | 132 | 118.1 Ų | 118.1 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -117.7 | 110 | 176.9 | -169.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 135 | G | 64.8 | Low | 61.8 | Low | 82 Ų | 82 | 121.3 Ų | 121.3 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 103.3 | 12.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 136 | G | 70.3 | Confident | 61.5 | Low | 64 Ų | 64 | 119.5 Ų | 119.5 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 142.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S138 | G136-S138 PolarHBondContact O-N 3.34Š|
| 137 | P | 62.3 | Low | 60.6 | Low | 90 Ų | 90 | 128.5 Ų | 128.5 | 58% | 0.584 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138.2 | 175.3 | 22.9 | -31.6 | 0 | 0 | 0 | 110.4 | M142 | P137-M142 HydrophobicContact CG-CE 4.38Š|
| 138 | S | 57.9 | Low | 59.5 | Low | 68 Ų | 68 | 123 Ų | 123 | 48% | 0.476 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 147.7 | -174.8 | 55 | 0 | 0 | 0 | 0 | 111.5 | G136 Q140 V141 | G136-S138 PolarHBondContact O-N 3.34Å; S138-Q140 PolarHBondContact O-N 3.44Å; S138-V141 PolarHBondContact O-N 3.12Å |
| 139 | Q | 60.5 | Low | 58.7 | Low | 178 Ų | 178 | 125.1 Ų | 125.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -56.4 | -19.1 | -178.7 | -69.6 | -160.1 | 25 | 0 | 0 | 113.8 | V141 M142 T143 | Q139-V141 VanDerWaalsContact C-N 3.28Å; Q139-V141 PolarHBondContact O-N 3.49Å; Q139-M142 PolarHBondContact O-N 2.91Å; Q139-T143 PolarHBondContact O-OG1 3.19Å |
| 140 | Q | 61.5 | Low | 57.2 | Low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -67.4 | -24.4 | 174.4 | -69.1 | 177.4 | -10.3 | 0 | 0 | 113.5 | S138 T143 | S138-Q140 PolarHBondContact O-N 3.44Å; Q140-T143 PolarHBondContact O-OG1 3.12Å |
| 141 | V | 64.8 | Low | 55.8 | Low | 107 Ų | 107 | 127.5 Ų | 127.5 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -82.1 | -20 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | S138 Q139 | S138-V141 PolarHBondContact O-N 3.12Å; Q139-V141 VanDerWaalsContact C-N 3.28Å; Q139-V141 PolarHBondContact O-N 3.49Å |
| 142 | M | 62.3 | Low | 54.8 | Low | 148 Ų | 148 | 126.9 Ų | 126.9 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -97.2 | -1.4 | -177 | -75.7 | -173.6 | 171 | 0 | 0 | 114.6 | P137 Q139 | P137-M142 HydrophobicContact CG-CE 4.38Å; Q139-M142 PolarHBondContact O-N 2.91Å |
| 143 | T | 66.8 | Low | 53.7 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 59% | 0.589 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -91.8 | 119.7 | 177.6 | 26 | 0 | 0 | 0 | 0 | 112.1 | Q139 Q140 Q145 | Q139-T143 PolarHBondContact O-OG1 3.19Å; Q140-T143 PolarHBondContact O-OG1 3.12Å; T143-Q145 PolarHBondContact O-N 2.86Å |
| 144 | P | 59.5 | Low | 52.3 | Low | 127 Ų | 127 | 121.3 Ų | 121.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -66.7 | 118.1 | 172.3 | 25.6 | -31.1 | 0 | 0 | 0 | 110.1 | G146 | P144-G146 PolarHBondContact O-N 3.12Å; P144-G146 VanDerWaalsContact O-N 3.14Å | ||
| 145 | Q | 59.4 | Low | 50.9 | Low | 195 Ų | 195 | 120.2 Ų | 120.2 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -76.3 | 100.2 | -177 | -154.5 | 163 | -7.5 | 0 | 0 | 109.5 | T143 R147 | T143-Q145 PolarHBondContact O-N 2.86Å; Q145-R147 PolarHBondContact O-N 3.32Å | ||
| 146 | G | 53 | Low | 49.3 | Very low | 78 Ų | 78 | 120.4 Ų | 120.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -62.6 | 111.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P144 G148 | P144-G146 PolarHBondContact O-N 3.12Å; P144-G146 VanDerWaalsContact O-N 3.14Å; G146-G148 PolarHBondContact O-N 3.26Å | ||
| 147 | R | 44.7 | Very low | 47.4 | Very low | 260 Ų | 260 | 121.7 Ų | 121.7 | 98% | 0.981 | 78% | 0.782 | S | S | * | * | trans | -88 | 100.2 | 173.9 | -155.9 | 177.6 | -171.9 | 170.4 | 1.9 | 108 | Q145 | Q145-R147 PolarHBondContact O-N 3.32Š| ||
| 148 | G | 40.1 | Very low | 46 | Very low | 59 Ų | 59 | 122.4 Ų | 122.4 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | trans | -164.2 | 84.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G146 | G146-G148 PolarHBondContact O-N 3.26Š| ||
| 149 | T | 40.4 | Very low | 44.9 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | 53.5 | 135 | 145.2 | 47.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 150 | V | 33.1 | Very low | 43.4 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -68.4 | 159.9 | -174.7 | -70.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 151 | A | 34.4 | Very low | 42 | Very low | 93 Ų | 93 | 119.7 Ų | 119.7 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -55.9 | 146.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 152 | A | 34.2 | Very low | 40.5 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | 42.2 | 125 | 129 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 153 | A | 32.6 | Very low | 39 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -155.3 | 127.3 | 134 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 154 | A | 33.9 | Very low | 37.4 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -107.1 | 127.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 155 | A | 32.7 | Very low | 36.2 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | 169.8 | 141.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 156 | G | 30.8 | Very low | 35 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | 133.5 | 128.1 | 159 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 157 | A | 31.4 | Very low | 34.3 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -106.1 | 161.9 | -160.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 158 | S | 32.1 | Very low | 34.6 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | 73 | 149.6 | 142.1 | -57.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 159 | I | 33.9 | Very low | 34.5 | Very low | 167 Ų | 167 | 118.6 Ų | 118.6 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | 75 | 148.4 | 167.2 | 91.8 | -178.6 | 0 | 0 | 0 | 116.3 | ||||
| 160 | A | 30.1 | Very low | 34.4 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | cis | -173 | 151 | -23.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 161 | A | 31.3 | Very low | 34.6 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 70.4 | 134.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 162 | A | 34 | Very low | 34.7 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | 70.5 | 107.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 163 | D | 30.1 | Very low | 34.5 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 79% | 0.788 | S | S | * | * | 72.8 | 106.4 | 83.7 | -168.4 | 30.2 | 0 | 0 | 0 | 113.6 | |||||
| 164 | R | 33.8 | Very low | 34.4 | Very low | 202 Ų | 202 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 143.2 | 125.8 | 108.4 | -153.4 | 123.9 | 152.7 | 179.8 | -5.5 | 113.7 | |||||
| 165 | S | 34.8 | Very low | 34.4 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | 82.7 | 136 | 139 | 72 | 0 | 0 | 0 | 0 | 122 | ||||
| 166 | L | 34.6 | Very low | 34.6 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | 95.5 | 103.3 | 154 | -68.4 | 145.8 | 0 | 0 | 0 | 117.9 | ||||
| 167 | A | 36.8 | Very low | 35.3 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -68.7 | -169.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 168 | P | 51.1 | Low | 36 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | -117.7 | 134.4 | -71.1 | 32.4 | -18 | 0 | 0 | 0 | 109.6 | |||||
| 169 | H | 38.6 | Very low | 36.6 | Very low | 144 Ų | 144 | 134 Ų | 134 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | trans | -153 | 114.4 | 169.6 | -146.6 | 153.2 | 0 | 0 | 0 | 110.9 | L171 | H169-L171 VanDerWaalsContact C-N 3.28Å; H169-L171 PolarHBondContact O-N 3.39Å | ||
| 170 | W | 39 | Very low | 36.8 | Very low | 223 Ų | 223 | 129 Ų | 129 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -72.6 | 76.5 | 172.1 | 40.4 | -86.8 | 0 | 0 | 0 | 109.9 | ||||
| 171 | L | 36.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 134 Ų | 134 | 59% | 0.586 | 78% | 0.775 | S | S | * | * | trans | -142.4 | 138.7 | 167.8 | -79.3 | 177.6 | 0 | 0 | 0 | 111.8 | H169 | H169-L171 VanDerWaalsContact C-N 3.28Å; H169-L171 PolarHBondContact O-N 3.39Å | ||
| 172 | L | 36.2 | Very low | 38.6 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | 92.9 | 115.4 | 158 | -57.5 | 140.7 | 0 | 0 | 0 | 116.7 | ||||
| 173 | F | 29.4 | Very low | 39.7 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | -156.2 | 110 | 111 | -104 | -89 | 0 | 0 | 0 | 106.4 | |||||
| 174 | S | 31.8 | Very low | 40.9 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | 85.1 | 103 | 84.4 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 175 | C | 32.2 | Very low | 41.8 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | 77.4 | 104.8 | 103.2 | -61.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 176 | S | 37.5 | Very low | 42.7 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | 177 | 101.3 | 123.9 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 177 | T | 46.6 | Very low | 43.8 | Very low | 139 Ų | 139 | 130 Ų | 130 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -115.6 | 131.2 | 160 | 40 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 178 | P | 45.1 | Very low | 44.6 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -96.7 | 112.1 | 162.3 | 31 | -22.2 | 0 | 0 | 0 | 110.5 | ||||
| 179 | T | 44.7 | Very low | 44.8 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | 48.2 | 117.7 | 126.3 | -28.5 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 180 | G | 39.4 | Very low | 45.7 | Very low | 64 Ų | 64 | 139.2 Ų | 139.2 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | 156.8 | 112.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 181 | M | 46.9 | Very low | 46.5 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | trans | 85 | 84.5 | 157.6 | -47.9 | -176.3 | 103.7 | 0 | 0 | 116.9 | ||||
| 182 | M | 51.3 | Low | 47.1 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 93% | 0.931 | 82% | 0.819 | S | S | * | * | 96.1 | 101.9 | 81.2 | -172.9 | 162.7 | 154.6 | 0 | 0 | 112 | |||||
| 183 | G | 56.6 | Low | 47.5 | Very low | 58 Ų | 58 | 134.7 Ų | 134.7 | 60% | 0.598 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76 | 168.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 184 | P | 56.5 | Low | 48.5 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 149.2 | -173.5 | 29.9 | -33.3 | 0 | 0 | 0 | 112.2 | ||
| 185 | P | 51.9 | Low | 49.5 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 142.6 | -173.1 | 28.3 | -33.4 | 0 | 0 | 0 | 112.7 | ||
| 186 | P | 53.4 | Low | 50.3 | Low | 136 Ų | 136 | 136.3 Ų | 136.3 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -82.9 | 125.4 | 174.2 | 0.5 | 17.7 | 0 | 0 | 0 | 110.5 | ||
| 187 | G | 58.4 | Low | 50.7 | Low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 166.3 | 2.2 | 173 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 188 | M | 52.5 | Low | 50.7 | Low | 195 Ų | 195 | 135.1 Ų | 135.1 | 96% | 0.961 | 82% | 0.819 | S | S | * | * | trans | -110.8 | 104.7 | 179.7 | -78.3 | 179.5 | 154.4 | 0 | 0 | 112.1 | ||||
| 189 | R | 56.3 | Low | 51.1 | Low | 241 Ų | 241 | 134.3 Ų | 134.3 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72 | 133.6 | 168.4 | -69.1 | 169.2 | 169.5 | -109.9 | 0.5 | 109.6 | ||
| 190 | P | 56.7 | Low | 51.3 | Low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 149.5 | 163.1 | -10 | 26.2 | 0 | 0 | 0 | 110.5 | ||
| 191 | P | 55.8 | Low | 51.7 | Low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 132.6 | 178.3 | 29.7 | -31.6 | 0 | 0 | 0 | 111.7 | ||
| 192 | M | 50.7 | Low | 52 | Low | 195 Ų | 195 | 130.7 Ų | 130.7 | 96% | 0.961 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71 | 149.8 | 154.2 | -81.5 | -157.6 | -87.2 | 0 | 0 | 108.9 | ||
| 193 | G | 43.8 | Very low | 51.4 | Low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | -171.4 | -143.6 | 7.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 194 | P | 50.8 | Low | 50.7 | Low | 128 Ų | 128 | 134.6 Ų | 134.6 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | cis | -133.3 | -160.5 | -19.8 | 42.2 | -23.2 | 0 | 0 | 0 | 111.6 | ||||
| 195 | P | 51.7 | Low | 49.8 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | cis | -117.6 | 169.6 | -44.9 | 31.5 | -13 | 0 | 0 | 0 | 113.4 | ||||
| 196 | M | 50.4 | Low | 49.6 | Very low | 188 Ų | 188 | 130.9 Ų | 130.9 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -23.2 | 137.4 | 153.4 | -165.2 | 167.6 | -74.5 | 0 | 0 | 117.7 | ||||
| 197 | G | 44.3 | Very low | 49.2 | Very low | 63 Ų | 63 | 130.2 Ų | 130.2 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | trans | 114.1 | 98.6 | 139.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 198 | M | 47.1 | Very low | 48.8 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | -172.7 | 128.1 | 129.4 | -155.2 | 63.7 | 72.4 | 0 | 0 | 110.4 | |||||
| 199 | P | 54.9 | Low | 49 | Very low | 102 Ų | 102 | 130 Ų | 130 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | trans | -74.5 | 144 | 164.2 | 32 | -30.5 | 0 | 0 | 0 | 108.8 | G201 | P199-G201 VanDerWaalsContact C-N 3.3Å; P199-G201 PolarHBondContact O-N 3.41Å | ||
| 200 | P | 47.2 | Very low | 48.7 | Very low | 134 Ų | 134 | 127 Ų | 127 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -72.9 | 95.8 | 164.1 | 29 | -26.9 | 0 | 0 | 0 | 107.4 | ||||
| 201 | G | 48.3 | Very low | 48.8 | Very low | 55 Ų | 55 | 126.7 Ų | 126.7 | 57% | 0.567 | 80% | 0.801 | S | S | * | * | trans | -63.1 | 162.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P199 G203 | P199-G201 VanDerWaalsContact C-N 3.3Å; P199-G201 PolarHBondContact O-N 3.41Å; G201-G203 PolarHBondContact O-N 2.9Å | ||
| 202 | P | 54.3 | Low | 48.9 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -77.2 | 97.7 | -160.9 | 31.5 | -33.6 | 0 | 0 | 0 | 111.8 | R204 | P202-R204 PolarHBondContact O-N 3.08Š| ||
| 203 | G | 37.1 | Very low | 49.1 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -84.5 | 98.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G201 | G201-G203 PolarHBondContact O-N 2.9Š| ||
| 204 | R | 43.3 | Very low | 49.8 | Very low | 252 Ų | 252 | 123.4 Ų | 123.4 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -24.6 | 135.1 | 156.5 | -71.3 | 169 | 153.3 | -153.8 | -4.6 | 113.4 | P202 | P202-R204 PolarHBondContact O-N 3.08Š| ||
| 205 | G | 38 | Very low | 50.1 | Low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 163.3 | 71.5 | 158 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 206 | A | 47 | Very low | 50.4 | Low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 75.6 | 126.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 207 | P | 44.6 | Very low | 50.8 | Low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 130.2 | 164.9 | 30.1 | -30.9 | 0 | 0 | 0 | 110 | G209 | P207-G209 PolarHBondContact O-N 3.48Š| ||
| 208 | M | 49.5 | Very low | 51.7 | Low | 206 Ų | 206 | 129.5 Ų | 129.5 | 100% | 1.015 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -71.4 | 85.5 | 168.6 | -163.2 | -171.5 | -64.1 | 0 | 0 | 108.2 | ||
| 209 | G | 57.2 | Low | 52.2 | Low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | -163.5 | 59.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P207 | P207-G209 PolarHBondContact O-N 3.48Š| ||
| 210 | M | 50.3 | Low | 52.2 | Low | 176 Ų | 176 | 127.9 Ų | 127.9 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -155.1 | 123.4 | 164.5 | -135.7 | 148 | 81 | 0 | 0 | 110.3 | ||||
| 211 | P | 58.5 | Low | 52.8 | Low | 110 Ų | 110 | 125.1 Ų | 125.1 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -71.3 | 153.9 | 171.2 | 29.9 | -31.7 | 0 | 0 | 0 | 110.2 | ||||
| 212 | P | 57.7 | Low | 53.2 | Low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -58.7 | 135.5 | -179.6 | 22.2 | -31.6 | 0 | 0 | 0 | 111.1 | G214 | P212-G214 PolarHBondContact O-N 3.23Š| ||
| 213 | P | 54.4 | Low | 53.5 | Low | 136 Ų | 136 | 136.4 Ų | 136.4 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 114.9 | 176.6 | -12.4 | 26.8 | 0 | 0 | 0 | 109.4 | ||
| 214 | G | 58.3 | Low | 54.7 | Low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.1 | -10.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | P212 | P212-G214 PolarHBondContact O-N 3.23Š|
| 215 | M | 58.3 | Low | 55.8 | Low | 180 Ų | 180 | 129.2 Ų | 129.2 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -125.5 | 85.4 | 178.3 | -72.5 | -179.4 | 166.1 | 0 | 0 | 110.8 | ||||
| 216 | R | 58.1 | Low | 56.9 | Low | 228 Ų | 228 | 130.6 Ų | 130.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 127.7 | 167 | -162.6 | 174.3 | -169.5 | -121.1 | 3.7 | 107.8 | ||
| 217 | P | 57.9 | Low | 57.6 | Low | 107 Ų | 107 | 130.5 Ų | 130.5 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 138.7 | 172.2 | 24.6 | -30.5 | 0 | 0 | 0 | 109.3 | ||
| 218 | P | 62.9 | Low | 58.4 | Low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65 | 143.7 | 178.3 | 26.5 | -32.6 | 0 | 0 | 0 | 110 | ||
| 219 | P | 59.2 | Low | 58.9 | Low | 98 Ų | 98 | 125.7 Ų | 125.7 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61 | 147.4 | 177.8 | 24.2 | -31.7 | 0 | 0 | 0 | 110.9 | G221 | P219-G221 PolarHBondContact O-N 3.31Å; P219-G221 VanDerWaalsContact O-N 3.16Å |
| 220 | P | 53.8 | Low | 59.3 | Low | 141 Ų | 141 | 130.2 Ų | 130.2 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 118.8 | 179 | -17.1 | 29.9 | 0 | 0 | 0 | 110 | ||
| 221 | G | 59.3 | Low | 60.2 | Low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.2 | -8.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | P219 | P219-G221 PolarHBondContact O-N 3.31Å; P219-G221 VanDerWaalsContact O-N 3.16Å |
| 222 | M | 58.3 | Low | 60.8 | Low | 182 Ų | 182 | 133.2 Ų | 133.2 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -117.2 | 92.1 | 177.1 | -73 | -156.3 | 156.2 | 0 | 0 | 112 | G224 | M222-G224 PolarHBondContact O-N 2.78Š| ||
| 223 | R | 60.1 | Low | 61.5 | Low | 248 Ų | 248 | 133.1 Ų | 133.1 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 113.9 | 166.9 | -161.2 | 175.8 | -171.1 | -149.3 | 2 | 107.2 | ||||
| 224 | G | 61.9 | Low | 61.9 | Low | 54 Ų | 54 | 132.7 Ų | 132.7 | 56% | 0.557 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 156.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | M222 | M222-G224 PolarHBondContact O-N 2.78Š|
| 225 | P | 65.9 | Low | 62.2 | Low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 142.5 | -179.5 | 25 | -32.7 | 0 | 0 | 0 | 110.3 | ||
| 226 | P | 62.1 | Low | 62.3 | Low | 102 Ų | 102 | 141.2 Ų | 141.2 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.9 | 178.8 | 26.4 | -33.1 | 0 | 0 | 0 | 110.2 | ||
| 227 | P | 61.9 | Low | 62.5 | Low | 94 Ų | 94 | 136.9 Ų | 136.9 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 146.8 | 178.3 | 23.3 | -31.9 | 0 | 0 | 0 | 111.1 | G229 | P227-G229 PolarHBondContact O-N 3.36Š|
| 228 | P | 59.9 | Low | 62.8 | Low | 142 Ų | 142 | 138.5 Ų | 138.5 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 124 | -178 | -18.4 | 30.2 | 0 | 0 | 0 | 110.6 | ||
| 229 | G | 60.9 | Low | 62.8 | Low | 83 Ų | 83 | 140.1 Ų | 140.1 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.2 | -7.5 | 172 | 0 | 0 | 0 | 0 | 0 | 116.4 | P227 | P227-G229 PolarHBondContact O-N 3.36Š|
| 230 | M | 66.5 | Low | 63 | Low | 156 Ų | 156 | 142.5 Ų | 142.5 | 77% | 0.768 | 83% | 0.826 | S | S | * | * | trans | -102.8 | 97.9 | 175.7 | -74.2 | -173.3 | 156.5 | 0 | 0 | 111.4 | ||||
| 231 | R | 67.7 | Low | 63.6 | Low | 240 Ų | 240 | 142.6 Ų | 142.6 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 132 | 165.8 | -92.8 | -178.8 | 169.4 | -125.4 | 0.5 | 109.4 | ||
| 232 | P | 71.1 | Confident | 63.8 | Low | 110 Ų | 110 | 147.1 Ų | 147.1 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 147.9 | 173.6 | 27.2 | -31.8 | 0 | 0 | 0 | 110.9 | ||
| 233 | P | 72.3 | Confident | 64.2 | Low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 149.6 | 175.9 | 28.2 | -33.9 | 0 | 0 | 0 | 111.2 | R235 | P233-R235 PolarHBondContact O-N 3.45Š|
| 234 | P | 63.3 | Low | 64.5 | Low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 133.6 | 173.2 | 26.9 | -31.5 | 0 | 0 | 0 | 109.6 | ||
| 235 | R | 64.8 | Low | 64.8 | Low | 238 Ų | 238 | 143.5 Ų | 143.5 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 142 | 177.7 | -62.7 | 178.9 | -171.3 | -118.1 | 3.1 | 109.5 | P233 | P233-R235 PolarHBondContact O-N 3.45Š|
| 236 | P | 60.7 | Low | 64.7 | Low | 199 Ų | 199 | 145.4 Ų | 145.4 | 100% | 1.292 | 83% | 0.832 | S | S | * | * | trans | -71.5 | 0 | 165.9 | 31.4 | -33.1 | 0 | 0 | 0 | 112 |
Retrieved 236 of 236 residues in 157.4 ms
(Link to these results)