| 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 | 48.2 | Very low | 72.8 | Confident | 236 Ų | 236 | 127 Ų | 127 | 100% | 1.163 | 66% | 0.662 | S | S | * | * | 0 | 102.3 | 0 | -65.9 | -80.1 | -103.5 | 0 | 0 | 106.7 | K3 | M1-K3 PolarHBondContact O-N 3.44Š| |||
| 2 | S | 56.9 | Low | 74.7 | Confident | 119 Ų | 119 | 119.3 Ų | 119.3 | 83% | 0.832 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.5 | 174.3 | 54.4 | 0 | 0 | 0 | 0 | 107.4 | A4 | S2-A4 PolarHBondContact O-N 2.86Š|
| 3 | K | 59.4 | Low | 76.4 | Confident | 190 Ų | 190 | 114.4 Ų | 114.4 | 83% | 0.826 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -60 | 116.9 | 169.4 | -76.9 | 178.6 | 175.2 | 178.8 | 0 | 105.8 | M1 H5 | M1-K3 PolarHBondContact O-N 3.44Å; K3-H5 PolarHBondContact O-N 3.42Å; K3-H5 VanDerWaalsContact O-N 3.07Å; K3-H5 PolarHBondContact O-ND1 2.83Å |
| 4 | A | 61.5 | Low | 77.8 | Confident | 93 Ų | 93 | 113.1 Ų | 113.1 | 77% | 0.769 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 119.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | S2 | S2-A4 PolarHBondContact O-N 2.86Š|
| 5 | H | 66.7 | Low | 79.1 | Confident | 176 Ų | 176 | 110 Ų | 110 | 82% | 0.815 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 130.2 | 177.8 | -80.9 | 63.5 | 0 | 0 | 0 | 107.4 | K3 | K3-H5 PolarHBondContact O-N 3.42Å; K3-H5 VanDerWaalsContact O-N 3.07Å; K3-H5 PolarHBondContact O-ND1 2.83Å |
| 6 | P | 70.4 | Confident | 80.3 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 67% | 0.669 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 137.6 | 175.8 | -23 | 32.2 | 0 | 0 | 0 | 109.6 | E8 | P6-E8 PolarHBondContact O-N 3.49Š|
| 7 | P | 75.7 | Confident | 81.3 | Confident | 26 Ų | 26 | 101.4 Ų | 101.4 | 17% | 0.169 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 127 | 176.9 | 21.4 | -30.8 | 0 | 0 | 0 | 110.2 | L9 F34 M38 | P7-L9 HydrophobicContact CB-CD1 4.05Å; P7-L9 HydrophobicContact CB-CG 4.05Å; P7-L9 PolarHBondContact O-N 2.96Å; P7-F34 HydrophobicContact CG-CD2 4.27Å; P7-F34 HydrophobicContact CG-CE2 4.43Å; P7-M38 HydrophobicContact CB-CG 3.74Å; P7-M38 HydrophobicContact CB-SD 4.25Å; P7-M38 HydrophobicContact CG-CG 3.74Å |
| 8 | E | 85.8 | Confident | 82.2 | Confident | 151 Ų | 151 | 96.1 Ų | 96.1 | 71% | 0.706 | 49% | 0.493 | S | S | * | . | trans | -77.6 | 55.9 | 177.2 | -68.8 | -170.6 | 178.2 | 0 | 0 | 111.6 | P6 | P6-E8 PolarHBondContact O-N 3.49Š| ||
| 9 | L | 90.9 | Very high | 83 | Confident | 17 Ų | 17 | 91 Ų | 91 | 9% | 0.089 | 47% | 0.467 | C | S | . | . | trans | -87.5 | -10.5 | -178.4 | -69.2 | 174.5 | 0 | 0 | 0 | 113.3 | P7 K11 F12 L31 F34 L40 L70 | P7-L9 HydrophobicContact CB-CD1 4.05Å; P7-L9 HydrophobicContact CB-CG 4.05Å; P7-L9 PolarHBondContact O-N 2.96Å; L9-K11 PolarHBondContact O-N 3.08Å; L9-K11 VanDerWaalsContact O-N 3.16Å; L9-F12 HydrophobicContact CD2-CD2 4Å; L9-F12 HydrophobicContact CD2-CE2 4.39Å; L9-F12 WeakPolarHBondContact O-CB 3.4Å; L9-F12 PolarHBondContact O-N 2.84Å; L9-L31 HydrophobicContact CB-CD2 4.37Å; L9-F34 HydrophobicContact CB-CD1 3.77Å; L9-F34 HydrophobicContact CB-CD2 4.01Å; L9-F34 HydrophobicContact CB-CE1 3.89Å; L9-F34 HydrophobicContact CB-CE2 4.11Å; L9-F34 HydrophobicContact CB-CG 3.84Å; L9-F34 HydrophobicContact CB-CZ 4.06Å; L9-F34 HydrophobicContact CD1-CB 4.02Å; L9-F34 HydrophobicContact CD1-CD2 4.2Å; L9-F34 HydrophobicContact CD1-CG 4.08Å; L9-L40 HydrophobicContact CD1-CD2 3.63Å; L9-L70 HydrophobicContact CD2-CD1 3.75Å | ||
| 10 | K | 92.3 | Very high | 83.7 | Confident | 173 Ų | 173 | 91.5 Ų | 91.5 | 75% | 0.752 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -56.8 | -35 | -177.4 | -170.2 | 173.3 | -178.4 | -179.7 | 0 | 113.4 | F12 M13 F34 | K10-F12 PolarHBondContact O-N 3.48Å; K10-M13 WeakPolarHBondContact O-CB 3.45Å; K10-M13 VanDerWaalsContact O-CG 3.3Å; K10-M13 WeakPolarHBondContact O-CG 3.41Å; K10-M13 PolarHBondContact O-N 3.06Å; K10-F34 HydrophobicContact CB-CE1 4.49Å; K10-F34 HydrophobicContact CB-CZ 4.37Å |
| 11 | K | 93.3 | Very high | 84.4 | Confident | 113 Ų | 113 | 87.6 Ų | 87.6 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -69.5 | -17.6 | 177.6 | 63.7 | -175.2 | -179.9 | -167.6 | 0 | 113.9 | L9 V76 | L9-K11 PolarHBondContact O-N 3.08Å; L9-K11 VanDerWaalsContact O-N 3.16Å; K11-V76 HydrophobicContact CB-CG1 3.71Å; K11-V76 HydrophobicContact CD-CG1 3.75Å; K11-V76 HydrophobicContact CG-CG1 3.58Å |
| 12 | F | 95.4 | Very high | 86.7 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -98.1 | 0.8 | 179.7 | -59.2 | -82 | 0 | 0 | 0 | 113.1 | L9 K10 K15 L17 L31 L70 A72 V76 | L9-F12 HydrophobicContact CD2-CD2 4Å; L9-F12 HydrophobicContact CD2-CE2 4.39Å; L9-F12 WeakPolarHBondContact O-CB 3.4Å; L9-F12 PolarHBondContact O-N 2.84Å; K10-F12 PolarHBondContact O-N 3.48Å; F12-K15 VanDerWaalsContact O-CB 3.3Å; F12-K15 WeakPolarHBondContact O-CB 3.31Å; F12-K15 PolarHBondContact O-N 3.18Å; F12-L17 HydrophobicContact CB-CD1 4.26Å; F12-L17 HydrophobicContact CB-CD2 4.13Å; F12-L17 HydrophobicContact CD1-CD2 3.87Å; F12-L17 HydrophobicContact CG-CD2 4.34Å; F12-L31 HydrophobicContact CB-CD2 3.97Å; F12-L31 WeakPolarHBondContact O-CB 3.25Å; F12-L70 HydrophobicContact CD1-CD2 4.45Å; F12-L70 HydrophobicContact CE1-CD2 4.43Å; F12-A72 HydrophobicContact CD1-CB 3.87Å; F12-A72 HydrophobicContact CE1-CB 3.79Å; F12-V76 HydrophobicContact CD1-CB 4.49Å; F12-V76 HydrophobicContact CD1-CG1 4.19Å; F12-V76 HydrophobicContact CD1-CG2 3.62Å; F12-V76 HydrophobicContact CE1-CB 4.3Å; F12-V76 HydrophobicContact CE1-CG1 4.08Å; F12-V76 HydrophobicContact CE1-CG2 3.74Å; F12-V76 HydrophobicContact CZ-CG1 4.49Å |
| 13 | M | 96.4 | Very high | 88.5 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 28% | 0.276 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 138.8 | 176.8 | -69.1 | -67.6 | -60 | 0 | 0 | 110.8 | K10 K15 L31 R32 F34 | K10-M13 WeakPolarHBondContact O-CB 3.45Å; K10-M13 VanDerWaalsContact O-CG 3.3Å; K10-M13 WeakPolarHBondContact O-CG 3.41Å; K10-M13 PolarHBondContact O-N 3.06Å; M13-K15 PolarHBondContact O-N 2.9Å; M13-K15 VanDerWaalsContact O-N 3.11Å; M13-L31 HydrophobicContact SD-CD2 4.06Å; M13-L31 HydrophobicContact SD-CG 4.08Å; M13-R32 WeakPolarHBondContact CE-O 3.19Å; M13-F34 HydrophobicContact CG-CE1 4.42Å; M13-F34 HydrophobicContact SD-CD1 3.87Å; M13-F34 HydrophobicContact SD-CE1 3.99Å |
| 14 | D | 96.8 | Very high | 90.1 | Very high | 96 Ų | 96 | 72.8 Ų | 72.8 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 18.4 | -177.3 | -56.6 | -60.9 | 0 | 0 | 0 | 114.1 | L31 R32 | D14-L31 PolarHBondContact N-O 3.41Å; D14-R32 IonicContact OD1-CZ 2.82Å; D14-R32 IonicContact OD1-NH1 3.7Å; D14-R32 PolarHBondContact OD1-NH1 2.83Å |
| 15 | K | 97 | Very high | 91.7 | Very high | 67 Ų | 67 | 74 Ų | 74 | 29% | 0.291 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -103.5 | 147.3 | 174.3 | -56.8 | -61.3 | 177.7 | -177.1 | 0 | 111 | F12 M13 L17 I30 L31 E74 | F12-K15 VanDerWaalsContact O-CB 3.3Å; F12-K15 WeakPolarHBondContact O-CB 3.31Å; F12-K15 PolarHBondContact O-N 3.18Å; M13-K15 PolarHBondContact O-N 2.9Å; M13-K15 VanDerWaalsContact O-N 3.11Å; K15-L17 PolarHBondContact O-N 2.81Å; K15-I30 WeakPolarHBondContact O-CA 3.36Å; K15-L31 PolarHBondContact O-N 2.77Å; K15-L31 VanDerWaalsContact O-N 3.11Å; K15-E74 HydrophobicContact CD-CB 4.22Å; K15-E74 WeakPolarHBondContact CD-OE2 3.18Å; K15-E74 IonicContact NZ-OE2 3.54Å |
| 16 | K | 97.4 | Very high | 93.1 | Very high | 73 Ų | 73 | 67.9 Ų | 67.9 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 123 | 169.5 | -160.8 | 177.4 | -177.1 | 172.9 | 0 | 110.7 | G29 L73 E74 | K16-G29 CarbonylContact C-O 3.5Å; K16-G29 WeakPolarHBondContact CA-O 3.3Å; K16-L73 HydrophobicContact CB-CB 4.43Å; K16-L73 HydrophobicContact CD-CD1 4.13Å; K16-L73 HydrophobicContact CG-CD1 4.12Å; K16-L73 PolarHBondContact O-N 2.91Å; K16-E74 HydrophobicContact CB-CG 4.31Å; K16-E74 WeakPolarHBondContact CB-OE1 3.23Å; K16-E74 PolarHBondContact N-OE1 3.32Å |
| 17 | L | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151.7 | 178.4 | -59.5 | -174.7 | 0 | 0 | 0 | 111.2 | F12 K15 L19 Q28 G29 L31 M42 L70 E71 A72 | F12-L17 HydrophobicContact CB-CD1 4.26Å; F12-L17 HydrophobicContact CB-CD2 4.13Å; F12-L17 HydrophobicContact CD1-CD2 3.87Å; F12-L17 HydrophobicContact CG-CD2 4.34Å; K15-L17 PolarHBondContact O-N 2.81Å; L17-L19 HydrophobicContact CB-CD2 4.39Å; L17-Q28 CarbonylContact O-C 3.55Å; L17-Q28 WeakPolarHBondContact O-CA 3.21Å; L17-G29 PolarHBondContact N-O 3.11Å; L17-G29 PolarHBondContact O-N 2.87Å; L17-L31 HydrophobicContact CD1-CB 3.77Å; L17-L31 HydrophobicContact CD1-CD2 4.09Å; L17-L31 HydrophobicContact CD1-CG 4.36Å; L17-L31 HydrophobicContact CG-CB 4.35Å; L17-M42 HydrophobicContact CB-CE 4.1Å; L17-L70 HydrophobicContact CD1-CD1 3.84Å; L17-L70 HydrophobicContact CD1-CD2 4.08Å; L17-L70 HydrophobicContact CD1-CG 4Å; L17-L70 HydrophobicContact CD2-CD2 4.12Å; L17-E71 CarbonylContact C-O 3.46Å; L17-E71 WeakPolarHBondContact CA-O 3.35Å; L17-A72 HydrophobicContact CD2-CB 4.03Å |
| 18 | S | 97.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.5 | 170.3 | 169 | 0 | 0 | 0 | 0 | 108.2 | H26 E71 | S18-H26 PolarHBondContact OG-NE2 2.77Å; S18-E71 PolarHBondContact N-O 2.83Å; S18-E71 PolarHBondContact O-N 3.07Å |
| 19 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.8 | -177.1 | -59 | -169.5 | 0 | 0 | 0 | 111.4 | L17 L21 H26 V27 L40 M42 I62 M69 L70 | L17-L19 HydrophobicContact CB-CD2 4.39Å; L19-L21 HydrophobicContact CB-CD2 4.12Å; L19-H26 WeakPolarHBondContact O-CA 3.36Å; L19-H26 PolarHBondContact O-CD2 3.11Å; L19-H26 VanDerWaalsContact O-CD2 3.24Å; L19-V27 PolarHBondContact N-O 3.29Å; L19-V27 PolarHBondContact O-N 3.18Å; L19-L40 HydrophobicContact CD1-CD1 3.8Å; L19-L40 HydrophobicContact CD2-CD1 4.39Å; L19-M42 HydrophobicContact CD1-CE 4.26Å; L19-M42 HydrophobicContact CD1-SD 3.19Å; L19-M42 WeakPolarHBondContact CD1-SD 3.21Å; L19-M42 HydrophobicContact CG-CE 4.36Å; L19-M42 HydrophobicContact CG-SD 3.89Å; L19-I62 HydrophobicContact CD1-CD1 3.51Å; L19-M69 WeakPolarHBondContact CA-O 3.46Å; L19-L70 HydrophobicContact CD2-CB 3.63Å; L19-L70 HydrophobicContact CD2-CD1 3.73Å; L19-L70 HydrophobicContact CD2-CG 3.46Å; L19-L70 VanDerWaalsContact CD2-CG 3.46Å |
| 20 | K | 97.4 | Very high | 96.4 | Very high | 100 Ų | 100 | 57.5 Ų | 57.5 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.5 | 165.5 | -62.3 | -175.6 | 179.5 | 175.5 | 0 | 108.9 | I68 M69 | K20-I68 WeakPolarHBondContact O-CB 3.34Å; K20-I68 PolarHBondContact O-N 3.4Å; K20-M69 HydrophobicContact CB-CB 4.14Å; K20-M69 HydrophobicContact CD-CB 4.49Å; K20-M69 HydrophobicContact CD-SD 4.32Å; K20-M69 HydrophobicContact CG-CB 4.49Å; K20-M69 PolarHBondContact N-O 3.07Å; K20-M69 PolarHBondContact O-N 3.25Å |
| 21 | L | 97.6 | Very high | 96.7 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 163 | -176.6 | -52 | 179.9 | 0 | 0 | 0 | 111.2 | L19 G24 R25 V27 I62 S66 I67 | L19-L21 HydrophobicContact CB-CD2 4.12Å; L21-G24 PolarHBondContact O-N 3.32Å; L21-R25 HydrophobicContact CB-CB 4.19Å; L21-R25 PolarHBondContact N-O 2.82Å; L21-V27 HydrophobicContact CD1-CG2 3.89Å; L21-I62 HydrophobicContact CD1-CD1 4.44Å; L21-I62 HydrophobicContact CD1-CG2 4.44Å; L21-I62 HydrophobicContact CD2-CG2 3.75Å; L21-S66 CarbonylContact C-O 3.58Å; L21-S66 WeakPolarHBondContact CA-O 3.45Å; L21-I67 HydrophobicContact CD2-CG1 4.02Å |
| 22 | N | 97.3 | Very high | 96.9 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 142.7 | 171.2 | -70.4 | -12 | 0 | 0 | 0 | 111.8 | R25 N65 S66 I68 | N22-R25 PolarHBondContact O-NE 3.34Å; N22-R25 PolarHBondContact O-NH2 2.85Å; N22-R25 VanDerWaalsContact O-NH2 3.16Å; N22-N65 PolarHBondContact ND2-O 3.43Å; N22-S66 PolarHBondContact N-O 3.3Å; N22-I68 WeakPolarHBondContact OD1-CD1 3.03Å; N22-I68 VanDerWaalsContact OD1-CG1 3.23Å; N22-I68 WeakPolarHBondContact OD1-CG1 3.15Å |
| 23 | G | 94 | Very high | 97 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 84% | 0.835 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 19.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | R25 | G23-R25 PolarHBondContact O-N 2.85Š|
| 24 | G | 93.4 | Very high | 97 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 80% | 0.804 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 13.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L21 | L21-G24 PolarHBondContact O-N 3.32Š|
| 25 | R | 95.2 | Very high | 96.9 | Very high | 120 Ų | 120 | 46.6 Ų | 46.6 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 146.4 | 178.1 | -68.1 | 175.5 | -66 | 159 | 1.3 | 110.4 | L21 N22 G23 | L21-R25 HydrophobicContact CB-CB 4.19Å; L21-R25 PolarHBondContact N-O 2.82Å; N22-R25 PolarHBondContact O-NE 3.34Å; N22-R25 PolarHBondContact O-NH2 2.85Å; N22-R25 VanDerWaalsContact O-NH2 3.16Å; G23-R25 PolarHBondContact O-N 2.85Å |
| 26 | H | 96.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 125.4 | 179.7 | -179.5 | -176.7 | 0 | 0 | 0 | 108.8 | S18 L19 M48 | S18-H26 PolarHBondContact OG-NE2 2.77Å; L19-H26 WeakPolarHBondContact O-CA 3.36Å; L19-H26 PolarHBondContact O-CD2 3.11Å; L19-H26 VanDerWaalsContact O-CD2 3.24Å; H26-M48 HydrophobicContact CB-CB 3.98Å; H26-M48 HydrophobicContact CB-CG 4.37Å; H26-M48 PolarHBondContact O-N 2.99Å |
| 27 | V | 97.8 | Very high | 96.3 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139 | 178.3 | 177 | 0 | 0 | 0 | 0 | 109 | L19 L21 C45 L46 I57 I62 | L19-V27 PolarHBondContact N-O 3.29Å; L19-V27 PolarHBondContact O-N 3.18Å; L21-V27 HydrophobicContact CD1-CG2 3.89Å; V27-C45 HydrophobicContact CG1-CB 3.96Å; V27-L46 CarbonylContact C-O 3.54Å; V27-L46 WeakPolarHBondContact CA-O 3.26Å; V27-I57 HydrophobicContact CG1-CD1 4.27Å; V27-I57 HydrophobicContact CG2-CD1 4.41Å; V27-I62 HydrophobicContact CG1-CD1 4.43Å |
| 28 | Q | 97.9 | Very high | 96.1 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 15% | 0.15 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149 | 167.1 | -60.8 | -173.1 | -0.6 | 0 | 0 | 109.8 | L17 C45 L46 M48 L73 | L17-Q28 CarbonylContact O-C 3.55Å; L17-Q28 WeakPolarHBondContact O-CA 3.21Å; Q28-C45 CarbonylContact O-C 3.55Å; Q28-C45 WeakPolarHBondContact O-CA 3.4Å; Q28-L46 PolarHBondContact N-O 2.9Å; Q28-L46 PolarHBondContact O-N 2.79Å; Q28-M48 HydrophobicContact CG-CG 4.31Å; Q28-M48 HydrophobicContact CG-SD 4.42Å; Q28-L73 HydrophobicContact CG-CD1 4.3Å |
| 29 | G | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | -173.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K16 L17 M42 | K16-G29 CarbonylContact C-O 3.5Å; K16-G29 WeakPolarHBondContact CA-O 3.3Å; L17-G29 PolarHBondContact N-O 3.11Å; L17-G29 PolarHBondContact O-N 2.87Å; G29-M42 WeakPolarHBondContact O-CE 3.44Å |
| 30 | I | 98.1 | Very high | 96 | Very high | 37 Ų | 37 | 58.8 Ų | 58.8 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.7 | -175.2 | -57.1 | 174.6 | 0 | 0 | 0 | 109.7 | K15 R32 M42 D43 D44 | K15-I30 WeakPolarHBondContact O-CA 3.36Å; I30-R32 PolarHBondContact O-N 2.96Å; I30-M42 CarbonylContact O-C 3.55Å; I30-M42 WeakPolarHBondContact O-CA 3.3Å; I30-D43 PolarHBondContact N-O 2.76Å; I30-D43 PolarHBondContact O-N 3.16Å; I30-D44 HydrophobicContact CD1-CB 4.41Å |
| 31 | L | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 119.1 | 175.5 | -177.7 | 65.6 | 0 | 0 | 0 | 110.8 | L9 F12 M13 D14 K15 L17 G33 L40 | L9-L31 HydrophobicContact CB-CD2 4.37Å; F12-L31 HydrophobicContact CB-CD2 3.97Å; F12-L31 WeakPolarHBondContact O-CB 3.25Å; M13-L31 HydrophobicContact SD-CD2 4.06Å; M13-L31 HydrophobicContact SD-CG 4.08Å; D14-L31 PolarHBondContact N-O 3.41Å; K15-L31 PolarHBondContact O-N 2.77Å; K15-L31 VanDerWaalsContact O-N 3.11Å; L17-L31 HydrophobicContact CD1-CB 3.77Å; L17-L31 HydrophobicContact CD1-CD2 4.09Å; L17-L31 HydrophobicContact CD1-CG 4.36Å; L17-L31 HydrophobicContact CG-CB 4.35Å; L31-G33 WeakPolarHBondContact CD1-O 3.34Å; L31-L40 HydrophobicContact CD1-CB 4.1Å; L31-L40 HydrophobicContact CD1-CD1 4.43Å; L31-L40 HydrophobicContact CD1-CD2 4.03Å; L31-L40 HydrophobicContact CD1-CG 4.41Å |
| 32 | R | 98.3 | Very high | 96.1 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -18.2 | 177 | -62.9 | -55.4 | -167.1 | -171.7 | -2 | 114.2 | M13 D14 I30 V41 D43 | M13-R32 WeakPolarHBondContact CE-O 3.19Å; D14-R32 IonicContact OD1-CZ 2.82Å; D14-R32 IonicContact OD1-NH1 3.7Å; D14-R32 PolarHBondContact OD1-NH1 2.83Å; I30-R32 PolarHBondContact O-N 2.96Å; R32-V41 HydrophobicContact CB-CB 4.47Å; R32-V41 HydrophobicContact CB-CG1 4.19Å; R32-V41 PolarHBondContact N-O 2.83Å; R32-D43 HydrophobicContact CG-CB 3.44Å; R32-D43 VanDerWaalsContact CG-CB 3.44Å; R32-D43 IonicContact CZ-OD2 3.06Å; R32-D43 IonicContact NE-OD2 3.94Å; R32-D43 PolarHBondContact NE-OD2 2.87Å; R32-D43 VanDerWaalsContact NE-OD2 3.08Å; R32-D43 IonicContact NH2-OD2 3.08Å; R32-D43 PolarHBondContact NH2-OD2 3.32Å |
| 33 | G | 97.3 | Very high | 96.2 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | 160 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L31 L40 V41 | L31-G33 WeakPolarHBondContact CD1-O 3.34Å; G33-L40 WeakPolarHBondContact O-CA 3.5Å; G33-V41 PolarHBondContact N-O 3.03Å; G33-V41 PolarHBondContact O-N 3.35Å |
| 34 | F | 96.9 | Very high | 96.3 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 33% | 0.333 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 162.6 | 174.9 | 66.3 | -83.2 | 0 | 0 | 0 | 110.3 | P7 L9 K10 M13 N39 L40 | P7-F34 HydrophobicContact CG-CD2 4.27Å; P7-F34 HydrophobicContact CG-CE2 4.43Å; L9-F34 HydrophobicContact CB-CD1 3.77Å; L9-F34 HydrophobicContact CB-CD2 4.01Å; L9-F34 HydrophobicContact CB-CE1 3.89Å; L9-F34 HydrophobicContact CB-CE2 4.11Å; L9-F34 HydrophobicContact CB-CG 3.84Å; L9-F34 HydrophobicContact CB-CZ 4.06Å; L9-F34 HydrophobicContact CD1-CB 4.02Å; L9-F34 HydrophobicContact CD1-CD2 4.2Å; L9-F34 HydrophobicContact CD1-CG 4.08Å; K10-F34 HydrophobicContact CB-CE1 4.49Å; K10-F34 HydrophobicContact CB-CZ 4.37Å; M13-F34 HydrophobicContact CG-CE1 4.42Å; M13-F34 HydrophobicContact SD-CD1 3.87Å; M13-F34 HydrophobicContact SD-CE1 3.99Å; F34-N39 WeakPolarHBondContact CA-O 3.3Å; F34-L40 HydrophobicContact CB-CD2 3.66Å |
| 35 | D | 94 | Very high | 96.5 | Very high | 50 Ų | 50 | 51 Ų | 51 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | trans | -120.8 | 174.6 | 173.9 | 76.6 | 12 | 0 | 0 | 0 | 111.8 | F37 M38 N39 | D35-F37 PolarHBondContact O-N 3.16Å; D35-F37 VanDerWaalsContact O-N 3.12Å; D35-F37 WeakPolarHBondContact OD1-CA 3.32Å; D35-F37 WeakPolarHBondContact OD1-CB 3.19Å; D35-F37 PolarHBondContact OD1-N 3.05Å; D35-M38 PolarHBondContact O-N 2.89Å; D35-M38 PolarHBondContact OD1-N 2.78Å; D35-M38 VanDerWaalsContact OD1-N 3.15Å; D35-N39 PolarHBondContact N-O 3.36Å; D35-N39 VanDerWaalsContact N-O 3.16Å; D35-N39 PolarHBondContact OD1-N 2.79Å; D35-N39 PolarHBondContact OD1-ND2 2.97Å; D35-N39 WeakPolarHBondContact OD2-CB 3.21Å; D35-N39 PolarHBondContact OD2-ND2 3.24Å | ||
| 36 | P | 91.6 | Very high | 96.7 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 70% | 0.695 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.7 | 178.9 | -26.2 | 36.7 | 0 | 0 | 0 | 115.3 | M38 | P36-M38 VanDerWaalsContact C-N 3.35Š|
| 37 | F | 90.8 | Very high | 96.7 | Very high | 153 Ų | 153 | 47.9 Ų | 47.9 | 67% | 0.671 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 9.1 | 177.5 | -55.6 | -72.9 | 0 | 0 | 0 | 112.6 | D35 N39 | D35-F37 PolarHBondContact O-N 3.16Å; D35-F37 VanDerWaalsContact O-N 3.12Å; D35-F37 WeakPolarHBondContact OD1-CA 3.32Å; D35-F37 WeakPolarHBondContact OD1-CB 3.19Å; D35-F37 PolarHBondContact OD1-N 3.05Å; F37-N39 PolarHBondContact O-N 3.28Å |
| 38 | M | 93.2 | Very high | 96.6 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 47% | 0.473 | 25% | 0.253 | S | S | . | . | trans | 60.6 | 24.4 | -174.7 | -58.1 | -176.7 | -67 | 0 | 0 | 113.7 | P7 D35 P36 G64 | P7-M38 HydrophobicContact CB-CG 3.74Å; P7-M38 HydrophobicContact CB-SD 4.25Å; P7-M38 HydrophobicContact CG-CG 3.74Å; D35-M38 PolarHBondContact O-N 2.89Å; D35-M38 PolarHBondContact OD1-N 2.78Å; D35-M38 VanDerWaalsContact OD1-N 3.15Å; P36-M38 VanDerWaalsContact C-N 3.35Å; M38-G64 WeakPolarHBondContact O-CA 3.39Å | ||
| 39 | N | 95.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | trans | -68.8 | 135.7 | 163.4 | -55.1 | -52.2 | 0 | 0 | 0 | 108 | F34 D35 F37 I62 R63 G64 | F34-N39 WeakPolarHBondContact CA-O 3.3Å; D35-N39 PolarHBondContact N-O 3.36Å; D35-N39 VanDerWaalsContact N-O 3.16Å; D35-N39 PolarHBondContact OD1-N 2.79Å; D35-N39 PolarHBondContact OD1-ND2 2.97Å; D35-N39 WeakPolarHBondContact OD2-CB 3.21Å; D35-N39 PolarHBondContact OD2-ND2 3.24Å; F37-N39 PolarHBondContact O-N 3.28Å; N39-I62 CarbonylContact C-O 3.58Å; N39-I62 VanDerWaalsContact CA-O 3.26Å; N39-I62 WeakPolarHBondContact CA-O 3.39Å; N39-R63 WeakPolarHBondContact OD1-CA 3.46Å; N39-G64 PolarHBondContact OD1-N 3.15Å | ||
| 40 | L | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.9 | -173.8 | -51.9 | -176.8 | 0 | 0 | 0 | 110.3 | L9 L19 L31 G33 F34 M42 V61 I62 I67 L70 | L9-L40 HydrophobicContact CD1-CD2 3.63Å; L19-L40 HydrophobicContact CD1-CD1 3.8Å; L19-L40 HydrophobicContact CD2-CD1 4.39Å; L31-L40 HydrophobicContact CD1-CB 4.1Å; L31-L40 HydrophobicContact CD1-CD1 4.43Å; L31-L40 HydrophobicContact CD1-CD2 4.03Å; L31-L40 HydrophobicContact CD1-CG 4.41Å; G33-L40 WeakPolarHBondContact O-CA 3.5Å; F34-L40 HydrophobicContact CB-CD2 3.66Å; L40-M42 HydrophobicContact CB-CG 4.33Å; L40-V61 CarbonylContact O-C 3.53Å; L40-V61 WeakPolarHBondContact O-CA 3.37Å; L40-I62 HydrophobicContact CB-CB 4.49Å; L40-I62 PolarHBondContact N-O 2.85Å; L40-I62 PolarHBondContact O-N 3.16Å; L40-I67 HydrophobicContact CD1-CD1 3.46Å; L40-I67 VanDerWaalsContact CD1-CD1 3.46Å; L40-I67 HydrophobicContact CG-CD1 3.71Å; L40-L70 HydrophobicContact CD1-CD1 4.14Å |
| 41 | V | 98.2 | Very high | 95.1 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.1 | 162.4 | -176.2 | 0 | 0 | 0 | 0 | 106.6 | R32 G33 M59 V61 | R32-V41 HydrophobicContact CB-CB 4.47Å; R32-V41 HydrophobicContact CB-CG1 4.19Å; R32-V41 PolarHBondContact N-O 2.83Å; G33-V41 PolarHBondContact N-O 3.03Å; G33-V41 PolarHBondContact O-N 3.35Å; V41-M59 HydrophobicContact CG1-CG 4.44Å; V41-V61 HydrophobicContact CG2-CG2 4.45Å |
| 42 | M | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.3 | 176.5 | -63.2 | -171.6 | 71.6 | 0 | 0 | 111 | L17 L19 G29 I30 L40 C45 M59 V60 I62 | L17-M42 HydrophobicContact CB-CE 4.1Å; L19-M42 HydrophobicContact CD1-CE 4.26Å; L19-M42 HydrophobicContact CD1-SD 3.19Å; L19-M42 WeakPolarHBondContact CD1-SD 3.21Å; L19-M42 HydrophobicContact CG-CE 4.36Å; L19-M42 HydrophobicContact CG-SD 3.89Å; G29-M42 WeakPolarHBondContact O-CE 3.44Å; I30-M42 CarbonylContact O-C 3.55Å; I30-M42 WeakPolarHBondContact O-CA 3.3Å; L40-M42 HydrophobicContact CB-CG 4.33Å; M42-C45 WeakPolarHBondContact CB-SG 3.44Å; M42-M59 CarbonylContact O-C 3.54Å; M42-M59 VanDerWaalsContact O-CA 3.31Å; M42-M59 WeakPolarHBondContact O-CA 3.46Å; M42-V60 HydrophobicContact CB-CG2 4.15Å; M42-V60 PolarHBondContact N-O 2.91Å; M42-V60 PolarHBondContact O-N 3.49Å; M42-I62 HydrophobicContact CG-CD1 4.42Å; M42-I62 HydrophobicContact SD-CD1 3.67Å |
| 43 | D | 98.3 | Very high | 94.3 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 17% | 0.166 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 160.8 | -176.5 | -168.9 | 26.3 | 0 | 0 | 0 | 110.3 | I30 R32 C45 | I30-D43 PolarHBondContact N-O 2.76Å; I30-D43 PolarHBondContact O-N 3.16Å; R32-D43 HydrophobicContact CG-CB 3.44Å; R32-D43 VanDerWaalsContact CG-CB 3.44Å; R32-D43 IonicContact CZ-OD2 3.06Å; R32-D43 IonicContact NE-OD2 3.94Å; R32-D43 PolarHBondContact NE-OD2 2.87Å; R32-D43 VanDerWaalsContact NE-OD2 3.08Å; R32-D43 IonicContact NH2-OD2 3.08Å; R32-D43 PolarHBondContact NH2-OD2 3.32Å; D43-C45 PolarHBondContact O-N 2.86Å |
| 44 | D | 97.5 | Very high | 94.2 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.1 | 40.7 | -173.9 | -65.5 | -37.7 | 0 | 0 | 0 | 113.2 | I30 | I30-D44 HydrophobicContact CD1-CB 4.41Å |
| 45 | C | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141.1 | -173.2 | -80.3 | 0 | 0 | 0 | 0 | 113.6 | V27 Q28 M42 D43 I57 G58 V60 | V27-C45 HydrophobicContact CG1-CB 3.96Å; Q28-C45 CarbonylContact O-C 3.55Å; Q28-C45 WeakPolarHBondContact O-CA 3.4Å; M42-C45 WeakPolarHBondContact CB-SG 3.44Å; D43-C45 PolarHBondContact O-N 2.86Å; C45-I57 HydrophobicContact CB-CD1 3.89Å; C45-I57 HydrophobicContact CB-CG1 3.46Å; C45-I57 VanDerWaalsContact CB-CG1 3.46Å; C45-I57 WeakPolarHBondContact O-CG1 3.48Å; C45-I57 PolarHBondContact O-N 2.89Å; C45-G58 VanDerWaalsContact CB-O 3.25Å; C45-G58 WeakPolarHBondContact CB-O 3.17Å; C45-G58 PolarHBondContact N-O 2.85Å; C45-G58 PolarHBondContact O-N 3.41Å; C45-V60 HydrophobicContact CB-CG2 3.96Å; C45-V60 VanDerWaalsContact SG-CG2 3.54Å |
| 46 | L | 97.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 68 Ų | 68 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.5 | 171.6 | -59.9 | 175 | 0 | 0 | 0 | 108.9 | V27 Q28 N55 T56 | V27-L46 CarbonylContact C-O 3.54Å; V27-L46 WeakPolarHBondContact CA-O 3.26Å; Q28-L46 PolarHBondContact N-O 2.9Å; Q28-L46 PolarHBondContact O-N 2.79Å; L46-N55 CarbonylContact C-O 3.55Å; L46-N55 WeakPolarHBondContact CA-O 3.34Å; L46-T56 HydrophobicContact CD2-CG2 4.36Å; L46-T56 WeakPolarHBondContact CD2-OG1 3.09Å |
| 47 | E | 97 | Very high | 94.6 | Very high | 67 Ų | 67 | 66.1 Ų | 66.1 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 127.5 | 165 | -178.3 | -179 | -138.6 | 0 | 0 | 109.3 | Q54 N55 I57 | E47-Q54 WeakPolarHBondContact O-CA 3.32Å; E47-N55 HydrophobicContact CB-CB 4.34Å; E47-N55 PolarHBondContact N-O 3.27Å; E47-N55 PolarHBondContact O-N 2.83Å; E47-I57 HydrophobicContact CB-CD1 4.35Å; E47-I57 HydrophobicContact CB-CG2 4.27Å |
| 48 | M | 95.2 | Very high | 94.9 | Very high | 49 Ų | 49 | 60 Ų | 60 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 101.2 | 177.5 | -52 | -64.7 | -67.3 | 0 | 0 | 108.7 | H26 Q28 Q54 | H26-M48 HydrophobicContact CB-CB 3.98Å; H26-M48 HydrophobicContact CB-CG 4.37Å; H26-M48 PolarHBondContact O-N 2.99Å; Q28-M48 HydrophobicContact CG-CG 4.31Å; Q28-M48 HydrophobicContact CG-SD 4.42Å; M48-Q54 HydrophobicContact CE-CG 4.14Å; M48-Q54 HydrophobicContact SD-CG 3.9Å |
| 49 | G | 89.8 | Confident | 95.1 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | trans | -84.6 | 174.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G52 Q53 | G49-G52 PolarHBondContact O-N 2.87Å; G49-Q53 PolarHBondContact N-O 3.22Å | ||
| 50 | P | 87.3 | Confident | 95.2 | Very high | 123 Ų | 123 | 60.8 Ų | 60.8 | 80% | 0.799 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -56.8 | 144.5 | 175.9 | -20.8 | 32.1 | 0 | 0 | 0 | 112 | G52 Q53 | P50-G52 PolarHBondContact O-N 2.9Å; P50-Q53 PolarHBondContact O-N 3.04Å |
| 51 | G | 86.1 | Confident | 95.2 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 97% | 0.969 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | 68.6 | 15.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 52 | G | 86.6 | Confident | 95.2 | Very high | 57 Ų | 57 | 64.4 Ų | 64.4 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | 84 | 10.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G49 P50 Q54 | G49-G52 PolarHBondContact O-N 2.87Å; P50-G52 PolarHBondContact O-N 2.9Å; G52-Q54 PolarHBondContact O-N 2.93Å |
| 53 | Q | 93 | Very high | 95.1 | Very high | 116 Ų | 116 | 72.2 Ų | 72.2 | 54% | 0.542 | 42% | 0.422 | S | S | . | . | trans | -59.5 | 136.8 | 171.6 | -173.5 | 175.6 | 44.9 | 0 | 0 | 110.1 | G49 P50 | G49-Q53 PolarHBondContact N-O 3.22Å; P50-Q53 PolarHBondContact O-N 3.04Å | ||
| 54 | Q | 95.6 | Very high | 95 | Very high | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.5 | 176.6 | -63.6 | -176.2 | 0.3 | 0 | 0 | 109.3 | E47 M48 G52 | E47-Q54 WeakPolarHBondContact O-CA 3.32Å; M48-Q54 HydrophobicContact CE-CG 4.14Å; M48-Q54 HydrophobicContact SD-CG 3.9Å; G52-Q54 PolarHBondContact O-N 2.93Å |
| 55 | N | 96 | Very high | 94.9 | Very high | 60 Ų | 60 | 72 Ų | 72 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.6 | 176.8 | -61.8 | -33.2 | 0 | 0 | 0 | 109 | L46 E47 I57 | L46-N55 CarbonylContact C-O 3.55Å; L46-N55 WeakPolarHBondContact CA-O 3.34Å; E47-N55 HydrophobicContact CB-CB 4.34Å; E47-N55 PolarHBondContact N-O 3.27Å; E47-N55 PolarHBondContact O-N 2.83Å; N55-I57 PolarHBondContact O-N 2.84Å |
| 56 | T | 97.3 | Very high | 94.9 | Very high | 115 Ų | 115 | 73.5 Ų | 73.5 | 71% | 0.706 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 122.2 | 174.2 | -52.9 | 0 | 0 | 0 | 0 | 109.7 | L46 | L46-T56 HydrophobicContact CD2-CG2 4.36Å; L46-T56 WeakPolarHBondContact CD2-OG1 3.09Å |
| 57 | I | 97.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 73.8 Ų | 73.8 | 35% | 0.354 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -2.5 | -178.4 | 63.7 | 178.4 | 0 | 0 | 0 | 112.6 | V27 C45 E47 N55 V60 | V27-I57 HydrophobicContact CG1-CD1 4.27Å; V27-I57 HydrophobicContact CG2-CD1 4.41Å; C45-I57 HydrophobicContact CB-CD1 3.89Å; C45-I57 HydrophobicContact CB-CG1 3.46Å; C45-I57 VanDerWaalsContact CB-CG1 3.46Å; C45-I57 WeakPolarHBondContact O-CG1 3.48Å; C45-I57 PolarHBondContact O-N 2.89Å; E47-I57 HydrophobicContact CB-CD1 4.35Å; E47-I57 HydrophobicContact CB-CG2 4.27Å; N55-I57 PolarHBondContact O-N 2.84Å; I57-V60 HydrophobicContact CB-CG1 4.25Å; I57-V60 HydrophobicContact CD1-CG1 3.75Å; I57-V60 HydrophobicContact CD1-CG2 4.49Å; I57-V60 HydrophobicContact CG1-CG1 3.78Å |
| 58 | G | 97.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 75.8 Ų | 75.8 | 26% | 0.258 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.9 | -134.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C45 | C45-G58 VanDerWaalsContact CB-O 3.25Å; C45-G58 WeakPolarHBondContact CB-O 3.17Å; C45-G58 PolarHBondContact N-O 2.85Å; C45-G58 PolarHBondContact O-N 3.41Å |
| 59 | M | 97.6 | Very high | 94.9 | Very high | 127 Ų | 127 | 78.2 Ų | 78.2 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 126.2 | 178.6 | -173.3 | 178.3 | -67.9 | 0 | 0 | 111.1 | V41 M42 | V41-M59 HydrophobicContact CG1-CG 4.44Å; M42-M59 CarbonylContact O-C 3.54Å; M42-M59 VanDerWaalsContact O-CA 3.31Å; M42-M59 WeakPolarHBondContact O-CA 3.46Å |
| 60 | V | 97.6 | Very high | 95.2 | Very high | 30 Ų | 30 | 79.7 Ų | 79.7 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.8 | -177 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | M42 C45 I57 I62 | M42-V60 HydrophobicContact CB-CG2 4.15Å; M42-V60 PolarHBondContact N-O 2.91Å; M42-V60 PolarHBondContact O-N 3.49Å; C45-V60 HydrophobicContact CB-CG2 3.96Å; C45-V60 VanDerWaalsContact SG-CG2 3.54Å; I57-V60 HydrophobicContact CB-CG1 4.25Å; I57-V60 HydrophobicContact CD1-CG1 3.75Å; I57-V60 HydrophobicContact CD1-CG2 4.49Å; I57-V60 HydrophobicContact CG1-CG1 3.78Å; V60-I62 HydrophobicContact CG2-CD1 4.29Å; V60-I62 HydrophobicContact CG2-CG1 4.18Å |
| 61 | V | 97.8 | Very high | 95.5 | Very high | 114 Ų | 114 | 78.8 Ų | 78.8 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.4 | 169.2 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | L40 V41 | L40-V61 CarbonylContact O-C 3.53Å; L40-V61 WeakPolarHBondContact O-CA 3.37Å; V41-V61 HydrophobicContact CG2-CG2 4.45Å |
| 62 | I | 97.7 | Very high | 96 | Very high | 13 Ų | 13 | 75.8 Ų | 75.8 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.9 | -179.7 | -62.5 | 173.7 | 0 | 0 | 0 | 108.9 | L19 L21 V27 N39 L40 M42 V60 I67 | L19-I62 HydrophobicContact CD1-CD1 3.51Å; L21-I62 HydrophobicContact CD1-CD1 4.44Å; L21-I62 HydrophobicContact CD1-CG2 4.44Å; L21-I62 HydrophobicContact CD2-CG2 3.75Å; V27-I62 HydrophobicContact CG1-CD1 4.43Å; N39-I62 CarbonylContact C-O 3.58Å; N39-I62 VanDerWaalsContact CA-O 3.26Å; N39-I62 WeakPolarHBondContact CA-O 3.39Å; L40-I62 HydrophobicContact CB-CB 4.49Å; L40-I62 PolarHBondContact N-O 2.85Å; L40-I62 PolarHBondContact O-N 3.16Å; M42-I62 HydrophobicContact CG-CD1 4.42Å; M42-I62 HydrophobicContact SD-CD1 3.67Å; V60-I62 HydrophobicContact CG2-CD1 4.29Å; V60-I62 HydrophobicContact CG2-CG1 4.18Å; I62-I67 HydrophobicContact CG2-CD1 4.04Å; I62-I67 HydrophobicContact CG2-CG1 3.72Å |
| 63 | R | 97.6 | Very high | 96.3 | Very high | 165 Ų | 165 | 76.7 Ų | 76.7 | 62% | 0.623 | 40% | 0.402 | S | S | * | . | trans | -72.3 | 129.7 | 176.7 | -172.6 | -179.3 | 178.5 | 119.8 | 0.6 | 110.5 | N39 N65 S66 | N39-R63 WeakPolarHBondContact OD1-CA 3.46Å; R63-N65 VanDerWaalsContact C-N 3.31Å; R63-N65 PolarHBondContact O-N 3.12Å; R63-S66 WeakPolarHBondContact O-CB 3.47Å; R63-S66 PolarHBondContact O-N 2.94Å | ||
| 64 | G | 95.4 | Very high | 96 | Very high | 4 Ų | 4 | 75.1 Ų | 75.1 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -54.8 | -41.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M38 N39 S66 I67 | M38-G64 WeakPolarHBondContact O-CA 3.39Å; N39-G64 PolarHBondContact OD1-N 3.15Å; G64-S66 PolarHBondContact O-N 3.04Å; G64-I67 WeakPolarHBondContact O-CB 3.33Å; G64-I67 PolarHBondContact O-N 3.25Å |
| 65 | N | 96.4 | Very high | 95.6 | Very high | 121 Ų | 121 | 81.2 Ų | 81.2 | 65% | 0.647 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -62.5 | -15.2 | 177.2 | -67 | -0.8 | 0 | 0 | 0 | 114.6 | N22 R63 | N22-N65 PolarHBondContact ND2-O 3.43Å; R63-N65 VanDerWaalsContact C-N 3.31Å; R63-N65 PolarHBondContact O-N 3.12Å |
| 66 | S | 97.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 83.1 Ų | 83.1 | 22% | 0.217 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -91.7 | -8.7 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | L21 N22 R63 G64 | L21-S66 CarbonylContact C-O 3.58Å; L21-S66 WeakPolarHBondContact CA-O 3.45Å; N22-S66 PolarHBondContact N-O 3.3Å; R63-S66 WeakPolarHBondContact O-CB 3.47Å; R63-S66 PolarHBondContact O-N 2.94Å; G64-S66 PolarHBondContact O-N 3.04Å |
| 67 | I | 96.8 | Very high | 94.6 | Very high | 40 Ų | 40 | 81.5 Ų | 81.5 | 21% | 0.205 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 119.7 | -178.1 | -55.6 | 173.5 | 0 | 0 | 0 | 108.6 | L21 L40 I62 G64 | L21-I67 HydrophobicContact CD2-CG1 4.02Å; L40-I67 HydrophobicContact CD1-CD1 3.46Å; L40-I67 VanDerWaalsContact CD1-CD1 3.46Å; L40-I67 HydrophobicContact CG-CD1 3.71Å; I62-I67 HydrophobicContact CG2-CD1 4.04Å; I62-I67 HydrophobicContact CG2-CG1 3.72Å; G64-I67 WeakPolarHBondContact O-CB 3.33Å; G64-I67 PolarHBondContact O-N 3.25Å |
| 68 | I | 97.1 | Very high | 94.5 | Very high | 110 Ų | 110 | 82.2 Ų | 82.2 | 56% | 0.564 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | -42.6 | 174.1 | -59.9 | 176.8 | 0 | 0 | 0 | 109.8 | K20 N22 | K20-I68 WeakPolarHBondContact O-CB 3.34Å; K20-I68 PolarHBondContact O-N 3.4Å; N22-I68 WeakPolarHBondContact OD1-CD1 3.03Å; N22-I68 VanDerWaalsContact OD1-CG1 3.23Å; N22-I68 WeakPolarHBondContact OD1-CG1 3.15Å |
| 69 | M | 95.6 | Very high | 94.3 | Very high | 99 Ų | 99 | 85.3 Ų | 85.3 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.7 | -175.4 | -174.7 | 177.8 | -76.5 | 0 | 0 | 110.6 | L19 K20 | L19-M69 WeakPolarHBondContact CA-O 3.46Å; K20-M69 HydrophobicContact CB-CB 4.14Å; K20-M69 HydrophobicContact CD-CB 4.49Å; K20-M69 HydrophobicContact CD-SD 4.32Å; K20-M69 HydrophobicContact CG-CB 4.49Å; K20-M69 PolarHBondContact N-O 3.07Å; K20-M69 PolarHBondContact O-N 3.25Å |
| 70 | L | 95.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 82.9 Ų | 82.9 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.2 | 174.1 | -180 | 158 | 0 | 0 | 0 | 108.4 | L9 F12 L17 L19 L40 | L9-L70 HydrophobicContact CD2-CD1 3.75Å; F12-L70 HydrophobicContact CD1-CD2 4.45Å; F12-L70 HydrophobicContact CE1-CD2 4.43Å; L17-L70 HydrophobicContact CD1-CD1 3.84Å; L17-L70 HydrophobicContact CD1-CD2 4.08Å; L17-L70 HydrophobicContact CD1-CG 4Å; L17-L70 HydrophobicContact CD2-CD2 4.12Å; L19-L70 HydrophobicContact CD2-CB 3.63Å; L19-L70 HydrophobicContact CD2-CD1 3.73Å; L19-L70 HydrophobicContact CD2-CG 3.46Å; L19-L70 VanDerWaalsContact CD2-CG 3.46Å; L40-L70 HydrophobicContact CD1-CD1 4.14Å |
| 71 | E | 95.4 | Very high | 93.9 | Very high | 105 Ų | 105 | 86.2 Ų | 86.2 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.7 | 179.6 | -178.5 | 178.4 | -167.2 | 0 | 0 | 109.6 | L17 S18 | L17-E71 CarbonylContact C-O 3.46Å; L17-E71 WeakPolarHBondContact CA-O 3.35Å; S18-E71 PolarHBondContact N-O 2.83Å; S18-E71 PolarHBondContact O-N 3.07Å |
| 72 | A | 95.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 84.3 Ų | 84.3 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 129.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F12 L17 E74 V76 | F12-A72 HydrophobicContact CD1-CB 3.87Å; F12-A72 HydrophobicContact CE1-CB 3.79Å; L17-A72 HydrophobicContact CD2-CB 4.03Å; A72-E74 VanDerWaalsContact C-N 3.29Å; A72-E74 WeakPolarHBondContact CB-O 3.47Å; A72-V76 HydrophobicContact CB-CG2 3.64Å |
| 73 | L | 93.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 89.4 Ų | 89.4 | 40% | 0.403 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -88.4 | -6.7 | 173.1 | -59.4 | -176.9 | 0 | 0 | 0 | 112 | K16 Q28 | K16-L73 HydrophobicContact CB-CB 4.43Å; K16-L73 HydrophobicContact CD-CD1 4.13Å; K16-L73 HydrophobicContact CG-CD1 4.12Å; K16-L73 PolarHBondContact O-N 2.91Å; Q28-L73 HydrophobicContact CG-CD1 4.3Å |
| 74 | E | 87.7 | Confident | 93.1 | Very high | 83 Ų | 83 | 83.6 Ų | 83.6 | 39% | 0.388 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -119.2 | 160.6 | 177.6 | -66 | 175.8 | -160.5 | 0 | 0 | 110.3 | K15 K16 A72 V76 | K15-E74 HydrophobicContact CD-CB 4.22Å; K15-E74 WeakPolarHBondContact CD-OE2 3.18Å; K15-E74 IonicContact NZ-OE2 3.54Å; K16-E74 HydrophobicContact CB-CG 4.31Å; K16-E74 WeakPolarHBondContact CB-OE1 3.23Å; K16-E74 PolarHBondContact N-OE1 3.32Å; A72-E74 VanDerWaalsContact C-N 3.29Å; A72-E74 WeakPolarHBondContact CB-O 3.47Å; E74-V76 PolarHBondContact O-N 3.25Å |
| 75 | R | 85.8 | Confident | 92.9 | Very high | 236 Ų | 236 | 90.3 Ų | 90.3 | 89% | 0.891 | 45% | 0.451 | S | S | * | . | trans | -68.3 | 132.6 | 174.1 | -169.6 | 174 | 179.9 | 170.4 | 0 | 110.2 | ||||
| 76 | V | 78.9 | Confident | 92.6 | Very high | 100 Ų | 100 | 87.5 Ų | 87.5 | 61% | 0.606 | 43% | 0.433 | S | S | * | . | trans | -116.9 | 0 | -179.2 | 179.7 | 0 | 0 | 0 | 0 | 110 | K11 F12 A72 E74 | K11-V76 HydrophobicContact CB-CG1 3.71Å; K11-V76 HydrophobicContact CD-CG1 3.75Å; K11-V76 HydrophobicContact CG-CG1 3.58Å; F12-V76 HydrophobicContact CD1-CB 4.49Å; F12-V76 HydrophobicContact CD1-CG1 4.19Å; F12-V76 HydrophobicContact CD1-CG2 3.62Å; F12-V76 HydrophobicContact CE1-CB 4.3Å; F12-V76 HydrophobicContact CE1-CG1 4.08Å; F12-V76 HydrophobicContact CE1-CG2 3.74Å; F12-V76 HydrophobicContact CZ-CG1 4.49Å; A72-V76 HydrophobicContact CB-CG2 3.64Å; E74-V76 PolarHBondContact O-N 3.25Å |
Retrieved 76 of 76 residues in 26.9 ms
(Link to these results)