| 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 | 47.7 | Very low | 82.3 | Confident | 228 Ų | 228 | 87.3 Ų | 87.3 | 100% | 1.123 | 45% | 0.447 | S | S | * | . | 0 | 107.9 | 0 | -61.6 | -65.6 | -169.2 | 0 | 0 | 107.3 | Q3 | M1-Q3 PolarHBondContact O-N 3.35Š| |||
| 2 | S | 62.8 | Low | 82.8 | Confident | 121 Ų | 121 | 83.7 Ų | 83.7 | 85% | 0.846 | 42% | 0.424 | S | S | * | . | trans | -62.6 | 116.3 | 173.8 | -53.3 | 0 | 0 | 0 | 0 | 107.8 | T4 | S2-T4 PolarHBondContact O-N 3.45Š| ||
| 3 | Q | 74.2 | Confident | 83.1 | Confident | 118 Ų | 118 | 85.3 Ų | 85.3 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | trans | -77.8 | 105.8 | -179.5 | -71.9 | 171.2 | -3.4 | 0 | 0 | 108.4 | M1 I5 | M1-Q3 PolarHBondContact O-N 3.35Å; Q3-I5 PolarHBondContact O-N 3.48Å | ||
| 4 | T | 87.1 | Confident | 83.2 | Confident | 55 Ų | 55 | 82.1 Ų | 82.1 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | trans | -72.9 | 125.4 | 174.1 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | S2 V6 L32 V62 | S2-T4 PolarHBondContact O-N 3.45Å; T4-V6 HydrophobicContact CG2-CG1 4.49Å; T4-L32 HydrophobicContact CG2-CB 4.3Å; T4-L32 HydrophobicContact CG2-CD2 3.89Å; T4-L32 WeakPolarHBondContact O-CB 3.31Å; T4-L32 PolarHBondContact O-N 2.86Å; T4-V62 HydrophobicContact CG2-CG1 3.6Å | ||
| 5 | I | 88.6 | Confident | 83.1 | Confident | 45 Ų | 45 | 83.2 Ų | 83.2 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.4 | 174.7 | -55 | -57.8 | 0 | 0 | 0 | 108.3 | Q3 K29 F30 R31 L63 | Q3-I5 PolarHBondContact O-N 3.48Å; I5-K29 HydrophobicContact CG2-CB 3.98Å; I5-K29 HydrophobicContact CG2-CD 4.44Å; I5-K29 HydrophobicContact CG2-CG 4.45Å; I5-F30 WeakPolarHBondContact CA-O 3.48Å; I5-R31 HydrophobicContact CD1-CG 3.79Å; I5-L63 HydrophobicContact CB-CB 4.42Å; I5-L63 HydrophobicContact CG2-CD1 4.11Å; I5-L63 PolarHBondContact O-N 3.35Å |
| 6 | V | 90.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.2 | 175.8 | -63 | 0 | 0 | 0 | 0 | 109.8 | T4 K29 F30 L32 W41 V43 L60 K61 V62 | T4-V6 HydrophobicContact CG2-CG1 4.49Å; V6-K29 CarbonylContact O-C 3.47Å; V6-K29 VanDerWaalsContact O-CA 3.29Å; V6-K29 WeakPolarHBondContact O-CA 3.26Å; V6-F30 HydrophobicContact CG2-CB 4.03Å; V6-F30 WeakPolarHBondContact CG2-O 3.4Å; V6-F30 PolarHBondContact N-O 2.8Å; V6-F30 PolarHBondContact O-N 3.46Å; V6-L32 HydrophobicContact CG1-CB 4.19Å; V6-W41 HydrophobicContact CG1-CE3 4.13Å; V6-W41 HydrophobicContact CG1-CZ3 3.98Å; V6-V43 HydrophobicContact CG2-CG1 3.78Å; V6-L60 HydrophobicContact CB-CB 4.37Å; V6-L60 HydrophobicContact CB-CD2 4.31Å; V6-L60 HydrophobicContact CG2-CD1 4.2Å; V6-L60 HydrophobicContact CG2-CD2 3.99Å; V6-K61 CarbonylContact C-O 3.57Å; V6-K61 VanDerWaalsContact CA-O 3.31Å; V6-K61 WeakPolarHBondContact CA-O 3.49Å; V6-V62 HydrophobicContact CG1-CG2 4.14Å |
| 7 | K | 91.3 | Very high | 82.1 | Confident | 82 Ų | 82 | 88.5 Ų | 88.5 | 36% | 0.357 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.1 | 178.5 | -174.4 | -177.6 | 177.6 | -175.5 | 0 | 109.8 | L9 G27 E28 L60 K61 L63 | K7-L9 PolarHBondContact O-N 3.17Å; K7-G27 VanDerWaalsContact CE-CA 3.44Å; K7-E28 CarbonylContact C-O 3.48Å; K7-E28 VanDerWaalsContact CA-O 3.26Å; K7-E28 WeakPolarHBondContact CA-O 3.33Å; K7-L60 CarbonylContact O-C 3.59Å; K7-L60 WeakPolarHBondContact O-CA 3.09Å; K7-K61 PolarHBondContact N-O 3.2Å; K7-K61 PolarHBondContact O-N 3.38Å; K7-L63 HydrophobicContact CB-CD1 4.04Å; K7-L63 HydrophobicContact CB-CD2 4.06Å; K7-L63 HydrophobicContact CB-CG 3.99Å; K7-L63 HydrophobicContact CD-CD2 4.42Å |
| 8 | A | 91.7 | Very high | 81.9 | Confident | 2 Ų | 2 | 97.2 Ų | 97.2 | 2% | 0.017 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V24 G27 E28 F30 Y59 | A8-V24 HydrophobicContact CB-CG1 3.48Å; A8-V24 VanDerWaalsContact CB-CG1 3.48Å; A8-G27 PolarHBondContact O-N 2.8Å; A8-E28 PolarHBondContact N-O 3.31Å; A8-F30 HydrophobicContact CB-CE2 4.09Å; A8-Y59 CarbonylContact C-O 3.49Å; A8-Y59 WeakPolarHBondContact CA-O 3.37Å |
| 9 | L | 91.1 | Very high | 81.7 | Confident | 77 Ų | 77 | 95.1 Ų | 95.1 | 40% | 0.403 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -83.6 | -29.1 | 176.7 | -67.1 | 177.2 | 0 | 0 | 0 | 112.2 | K7 Y59 K61 | K7-L9 PolarHBondContact O-N 3.17Å; L9-Y59 PolarHBondContact N-O 3.31Å; L9-K61 HydrophobicContact CD1-CB 4.43Å; L9-K61 HydrophobicContact CD2-CB 3.88Å; L9-K61 HydrophobicContact CG-CB 4.18Å |
| 10 | Y | 90.6 | Very high | 81.6 | Confident | 136 Ų | 136 | 96.6 Ų | 96.6 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -133.7 | 161.5 | -175.9 | -52.9 | -78.3 | 0 | 0 | 0 | 110.4 | Y59 | Y10-Y59 AromaticContact CD2-CD1 3.98Å; Y10-Y59 HydrophobicContact CD2-CD1 3.98Å; Y10-Y59 HydrophobicContact CD2-CE1 4.24Å; Y10-Y59 HydrophobicContact CD2-CG 4.17Å; Y10-Y59 HydrophobicContact CG-CD1 4.33Å; Y10-Y59 HydrophobicContact CG-CE1 4.37Å |
| 11 | N | 90.2 | Very high | 81.6 | Confident | 96 Ų | 96 | 93.5 Ų | 93.5 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | trans | -68.7 | 138.5 | 168.9 | -60 | -11.8 | 0 | 0 | 0 | 109 | V24 A26 | N11-V24 CarbonylContact C-O 3.59Å; N11-V24 WeakPolarHBondContact CA-O 3.2Å; N11-A26 WeakPolarHBondContact OD1-CB 3.44Å; N11-A26 PolarHBondContact OD1-N 3.4Å | ||
| 12 | Y | 87.4 | Confident | 83.3 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 17% | 0.173 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 116.2 | 177.9 | -178.6 | -94.4 | 0 | 0 | 0 | 109.7 | S14 V24 L55 P56 Y59 | Y12-S14 PolarHBondContact OH-OG 3Å; Y12-V24 PolarHBondContact N-O 2.83Å; Y12-V24 WeakPolarHBondContact O-CB 3.44Å; Y12-V24 PolarHBondContact O-N 2.81Å; Y12-L55 HydrophobicContact CD1-CD2 3.28Å; Y12-L55 HydrophobicContact CE1-CD2 3.64Å; Y12-L55 HydrophobicContact CG-CD2 3.83Å; Y12-P56 HydrophobicContact CE2-CG 4.37Å; Y12-Y59 HydrophobicContact CD2-CD1 4.34Å; Y12-Y59 HydrophobicContact CD2-CE1 4.27Å |
| 13 | D | 87.4 | Confident | 84.6 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.1 | 177.1 | -60.8 | -80.1 | 0 | 0 | 0 | 108 | I22 H23 | D13-I22 CarbonylContact C-O 3.57Å; D13-I22 WeakPolarHBondContact CA-O 3.48Å; D13-H23 IonicContact OD1-CE1 3.55Å; D13-H23 IonicContact OD1-CG 3.63Å; D13-H23 IonicContact OD1-ND1 2.68Å; D13-H23 PolarHBondContact OD1-ND1 2.89Å |
| 14 | S | 83.8 | Confident | 85.2 | Confident | 40 Ų | 40 | 78.3 Ų | 78.3 | 28% | 0.28 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 161.8 | 179 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | Y12 G21 I22 | Y12-S14 PolarHBondContact OH-OG 3Å; S14-G21 CarbonylContact O-C 3.52Å; S14-I22 PolarHBondContact N-O 3.45Å; S14-I22 PolarHBondContact O-N 3.3Å |
| 15 | T | 82.4 | Confident | 85.3 | Confident | 99 Ų | 99 | 80.5 Ų | 80.5 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123 | 175.4 | -50.8 | 0 | 0 | 0 | 0 | 107.5 | H20 | T15-H20 WeakPolarHBondContact CA-O 3.46Å |
| 16 | T | 74.4 | Confident | 85.4 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 27% | 0.27 | 42% | 0.418 | S | S | . | . | trans | -62.2 | 159.5 | 172.7 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | R18 G19 H20 I22 | T16-R18 PolarHBondContact O-N 2.83Å; T16-G19 PolarHBondContact O-N 2.78Å; T16-H20 HydrophobicContact CG2-CB 4.24Å; T16-H20 PolarHBondContact N-O 2.68Å; T16-H20 WeakPolarHBondContact OG1-CA 3.33Å; T16-H20 WeakPolarHBondContact OG1-CB 3.34Å; T16-H20 PolarHBondContact OG1-N 2.91Å; T16-H20 PolarHBondContact OG1-O 2.86Å; T16-I22 HydrophobicContact CG2-CD1 3.4Å; T16-I22 HydrophobicContact CG2-CG1 3.86Å | ||
| 17 | E | 75.4 | Confident | 85.4 | Confident | 213 Ų | 213 | 82.5 Ų | 82.5 | 100% | 0.995 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -21.9 | 173.4 | -64.7 | -177.4 | 84.9 | 0 | 0 | 113.1 | G19 | E17-G19 VanDerWaalsContact C-N 3.26Å; E17-G19 PolarHBondContact O-N 2.64Å |
| 18 | R | 77.1 | Confident | 85.3 | Confident | 245 Ų | 245 | 80.5 Ų | 80.5 | 93% | 0.925 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.9 | 175.2 | -63.3 | -174.1 | 179.2 | -177.2 | 0.8 | 113.8 | T16 H20 | T16-R18 PolarHBondContact O-N 2.83Å; R18-H20 VanDerWaalsContact C-N 3.29Å; R18-H20 PolarHBondContact O-N 2.96Å |
| 19 | G | 78.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 86.9 Ų | 86.9 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 78.1 | 8.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T16 E17 G21 | T16-G19 PolarHBondContact O-N 2.78Å; E17-G19 VanDerWaalsContact C-N 3.26Å; E17-G19 PolarHBondContact O-N 2.64Å; G19-G21 PolarHBondContact O-N 3Å |
| 20 | H | 78.9 | Confident | 85.1 | Confident | 124 Ų | 124 | 83.4 Ų | 83.4 | 57% | 0.574 | 44% | 0.437 | S | S | * | . | trans | -77.8 | 120.3 | 174.7 | -164.6 | 82.4 | 0 | 0 | 0 | 110 | T15 T16 R18 I22 | T15-H20 WeakPolarHBondContact CA-O 3.46Å; T16-H20 HydrophobicContact CG2-CB 4.24Å; T16-H20 PolarHBondContact N-O 2.68Å; T16-H20 WeakPolarHBondContact OG1-CA 3.33Å; T16-H20 WeakPolarHBondContact OG1-CB 3.34Å; T16-H20 PolarHBondContact OG1-N 2.91Å; T16-H20 PolarHBondContact OG1-O 2.86Å; R18-H20 VanDerWaalsContact C-N 3.29Å; R18-H20 PolarHBondContact O-N 2.96Å; H20-I22 PolarHBondContact O-N 3.25Å | ||
| 21 | G | 82.6 | Confident | 85 | Confident | 33 Ų | 33 | 80.9 Ų | 80.9 | 34% | 0.34 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 114.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S14 G19 | S14-G21 CarbonylContact O-C 3.52Å; G19-G21 PolarHBondContact O-N 3Å |
| 22 | I | 84 | Confident | 85 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.5 | 169.5 | -63 | 159.8 | 0 | 0 | 0 | 107 | D13 S14 T16 H20 V24 F53 | D13-I22 CarbonylContact C-O 3.57Å; D13-I22 WeakPolarHBondContact CA-O 3.48Å; S14-I22 PolarHBondContact N-O 3.45Å; S14-I22 PolarHBondContact O-N 3.3Å; T16-I22 HydrophobicContact CG2-CD1 3.4Å; T16-I22 HydrophobicContact CG2-CG1 3.86Å; H20-I22 PolarHBondContact O-N 3.25Å; I22-V24 HydrophobicContact CG2-CG2 3.82Å; I22-F53 HydrophobicContact CD1-CB 3.48Å; I22-F53 VanDerWaalsContact CD1-CB 3.48Å; I22-F53 HydrophobicContact CD1-CD2 4.18Å; I22-F53 HydrophobicContact CD1-CG 3.93Å; I22-F53 HydrophobicContact CG1-CB 4.05Å; I22-F53 HydrophobicContact CG1-CD1 4.49Å; I22-F53 HydrophobicContact CG1-CD2 4.44Å; I22-F53 HydrophobicContact CG1-CG 4.1Å; I22-F53 HydrophobicContact CG2-CD1 4.37Å; I22-F53 HydrophobicContact CG2-CD2 3.6Å; I22-F53 HydrophobicContact CG2-CE1 4.4Å; I22-F53 HydrophobicContact CG2-CE2 3.62Å; I22-F53 HydrophobicContact CG2-CG 3.99Å; I22-F53 HydrophobicContact CG2-CZ 4.04Å |
| 23 | H | 88.3 | Confident | 85.1 | Confident | 132 Ų | 132 | 79.3 Ų | 79.3 | 61% | 0.611 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 115.4 | 172.6 | -64.2 | -83.2 | 0 | 0 | 0 | 108.1 | D13 | D13-H23 IonicContact OD1-CE1 3.55Å; D13-H23 IonicContact OD1-CG 3.63Å; D13-H23 IonicContact OD1-ND1 2.68Å; D13-H23 PolarHBondContact OD1-ND1 2.89Å |
| 24 | V | 87.4 | Confident | 85 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.012 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127 | 179.7 | 170.7 | 0 | 0 | 0 | 0 | 107.8 | A8 N11 Y12 I22 F30 F53 L55 | A8-V24 HydrophobicContact CB-CG1 3.48Å; A8-V24 VanDerWaalsContact CB-CG1 3.48Å; N11-V24 CarbonylContact C-O 3.59Å; N11-V24 WeakPolarHBondContact CA-O 3.2Å; Y12-V24 PolarHBondContact N-O 2.83Å; Y12-V24 WeakPolarHBondContact O-CB 3.44Å; Y12-V24 PolarHBondContact O-N 2.81Å; I22-V24 HydrophobicContact CG2-CG2 3.82Å; V24-F30 HydrophobicContact CB-CZ 4.29Å; V24-F30 HydrophobicContact CG1-CE2 3.67Å; V24-F30 HydrophobicContact CG1-CZ 3.77Å; V24-F30 HydrophobicContact CG2-CE1 4.5Å; V24-F30 HydrophobicContact CG2-CE2 4.4Å; V24-F30 HydrophobicContact CG2-CZ 3.86Å; V24-F53 HydrophobicContact CG2-CE2 3.5Å; V24-F53 VanDerWaalsContact CG2-CE2 3.5Å; V24-F53 HydrophobicContact CG2-CZ 3.62Å; V24-L55 HydrophobicContact CG1-CD1 4.31Å; V24-L55 HydrophobicContact CG2-CD1 4.21Å; V24-L55 HydrophobicContact CG2-CD2 4.23Å |
| 25 | L | 89.5 | Confident | 85.1 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 53% | 0.534 | 41% | 0.413 | S | S | . | . | trans | -98.5 | 142.9 | 175.4 | -59.8 | 171.3 | 0 | 0 | 0 | 110.7 | G27 E28 | L25-G27 PolarHBondContact O-N 2.84Å; L25-E28 HydrophobicContact CB-CG 4.05Å; L25-E28 PolarHBondContact N-OE2 2.62Å; L25-E28 WeakPolarHBondContact O-CB 3.42Å; L25-E28 WeakPolarHBondContact O-CG 3.29Å; L25-E28 PolarHBondContact O-N 3.5Å | ||
| 26 | A | 90.7 | Very high | 85.2 | Confident | 50 Ų | 50 | 81.6 Ų | 81.6 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 127.4 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | N11 | N11-A26 WeakPolarHBondContact OD1-CB 3.44Å; N11-A26 PolarHBondContact OD1-N 3.4Å |
| 27 | G | 89.7 | Confident | 85.6 | Confident | 36 Ų | 36 | 83.4 Ų | 83.4 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.8 | -22.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K7 A8 L25 | K7-G27 VanDerWaalsContact CE-CA 3.44Å; A8-G27 PolarHBondContact O-N 2.8Å; L25-G27 PolarHBondContact O-N 2.84Å |
| 28 | E | 89.8 | Confident | 86.1 | Confident | 40 Ų | 40 | 81 Ų | 81 | 19% | 0.187 | 42% | 0.418 | C | S | . | . | trans | -67.3 | 146.6 | -178.8 | -73 | -164 | 102.8 | 0 | 0 | 112.2 | K7 A8 L25 F30 K45 | K7-E28 CarbonylContact C-O 3.48Å; K7-E28 VanDerWaalsContact CA-O 3.26Å; K7-E28 WeakPolarHBondContact CA-O 3.33Å; A8-E28 PolarHBondContact N-O 3.31Å; L25-E28 HydrophobicContact CB-CG 4.05Å; L25-E28 PolarHBondContact N-OE2 2.62Å; L25-E28 WeakPolarHBondContact O-CB 3.42Å; L25-E28 WeakPolarHBondContact O-CG 3.29Å; L25-E28 PolarHBondContact O-N 3.5Å; E28-F30 HydrophobicContact CB-CE2 3.59Å; E28-F30 HydrophobicContact CB-CZ 3.64Å; E28-K45 WeakPolarHBondContact OE1-CE 3.46Å; E28-K45 IonicContact OE1-NZ 3.31Å; E28-K45 PolarHBondContact OE1-NZ 2.88Å | ||
| 29 | K | 89.9 | Confident | 86.7 | Confident | 137 Ų | 137 | 75.9 Ų | 75.9 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.4 | -179 | -62.4 | 179.7 | -175.7 | 179.5 | 0 | 109.6 | I5 V6 L63 | I5-K29 HydrophobicContact CG2-CB 3.98Å; I5-K29 HydrophobicContact CG2-CD 4.44Å; I5-K29 HydrophobicContact CG2-CG 4.45Å; V6-K29 CarbonylContact O-C 3.47Å; V6-K29 VanDerWaalsContact O-CA 3.29Å; V6-K29 WeakPolarHBondContact O-CA 3.26Å; K29-L63 HydrophobicContact CD-CD1 3.88Å; K29-L63 HydrophobicContact CG-CD1 4.04Å |
| 30 | F | 89.5 | Confident | 87.2 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.6 | 177.8 | -54.3 | -86 | 0 | 0 | 0 | 110.3 | I5 V6 A8 V24 E28 V43 K45 F53 L55 | I5-F30 WeakPolarHBondContact CA-O 3.48Å; V6-F30 HydrophobicContact CG2-CB 4.03Å; V6-F30 WeakPolarHBondContact CG2-O 3.4Å; V6-F30 PolarHBondContact N-O 2.8Å; V6-F30 PolarHBondContact O-N 3.46Å; A8-F30 HydrophobicContact CB-CE2 4.09Å; V24-F30 HydrophobicContact CB-CZ 4.29Å; V24-F30 HydrophobicContact CG1-CE2 3.67Å; V24-F30 HydrophobicContact CG1-CZ 3.77Å; V24-F30 HydrophobicContact CG2-CE1 4.5Å; V24-F30 HydrophobicContact CG2-CE2 4.4Å; V24-F30 HydrophobicContact CG2-CZ 3.86Å; E28-F30 HydrophobicContact CB-CE2 3.59Å; E28-F30 HydrophobicContact CB-CZ 3.64Å; F30-V43 HydrophobicContact CB-CB 3.74Å; F30-V43 HydrophobicContact CB-CG1 4.43Å; F30-V43 HydrophobicContact CB-CG2 3.9Å; F30-V43 HydrophobicContact CD1-CG2 4.38Å; F30-V43 HydrophobicContact CG-CB 4.46Å; F30-V43 HydrophobicContact CG-CG2 4.07Å; F30-K45 HydrophobicContact CD1-CB 4.02Å; F30-K45 HydrophobicContact CD1-CG 4.45Å; F30-K45 HydrophobicContact CE1-CB 4.12Å; F30-K45 HydrophobicContact CE1-CD 4.45Å; F30-K45 HydrophobicContact CE1-CG 4.31Å; F30-F53 HydrophobicContact CD1-CE1 4.46Å; F30-F53 AromaticContact CD1-CZ 3.92Å; F30-F53 HydrophobicContact CD1-CZ 3.92Å; F30-F53 HydrophobicContact CE1-CE1 4.25Å; F30-F53 AromaticContact CE1-CZ 3.59Å; F30-F53 HydrophobicContact CE1-CZ 3.59Å; F30-F53 HydrophobicContact CZ-CZ 4.15Å; F30-L55 HydrophobicContact CD2-CD1 4.43Å; F30-L55 HydrophobicContact CE2-CD1 4.45Å |
| 31 | R | 88.5 | Confident | 87.9 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.5 | 172.2 | -63.3 | -179.6 | 176.5 | -80 | 10.2 | 108 | I5 I33 V43 S44 | I5-R31 HydrophobicContact CD1-CG 3.79Å; R31-I33 HydrophobicContact CB-CD1 4.26Å; R31-I33 PolarHBondContact O-N 3.43Å; R31-V43 CarbonylContact O-C 3.59Å; R31-V43 VanDerWaalsContact O-CA 3.24Å; R31-V43 WeakPolarHBondContact O-CA 3.41Å; R31-S44 PolarHBondContact N-O 3.44Å; R31-S44 PolarHBondContact O-N 3.41Å |
| 32 | L | 89.5 | Confident | 88.2 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 121.5 | 171.3 | -177.1 | 65.1 | 0 | 0 | 0 | 108.5 | T4 V6 D35 W41 V43 | T4-L32 HydrophobicContact CG2-CB 4.3Å; T4-L32 HydrophobicContact CG2-CD2 3.89Å; T4-L32 WeakPolarHBondContact O-CB 3.31Å; T4-L32 PolarHBondContact O-N 2.86Å; V6-L32 HydrophobicContact CG1-CB 4.19Å; L32-D35 HydrophobicContact CD1-CB 4.39Å; L32-D35 HydrophobicContact CD2-CB 4.24Å; L32-W41 HydrophobicContact CD1-CB 3.61Å; L32-W41 HydrophobicContact CD1-CD2 3.96Å; L32-W41 HydrophobicContact CD1-CE3 4.08Å; L32-W41 HydrophobicContact CD1-CG 3.8Å; L32-V43 HydrophobicContact CD1-CG1 4.22Å |
| 33 | I | 88.7 | Confident | 88.5 | Confident | 74 Ų | 74 | 74 Ų | 74 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -43.8 | -178.9 | -54.6 | -59 | 0 | 0 | 0 | 110.2 | R31 Y42 A49 | R31-I33 HydrophobicContact CB-CD1 4.26Å; R31-I33 PolarHBondContact O-N 3.43Å; I33-Y42 HydrophobicContact CB-CD1 3.67Å; I33-Y42 HydrophobicContact CB-CE1 4.27Å; I33-Y42 WeakPolarHBondContact CB-O 3.18Å; I33-Y42 HydrophobicContact CG1-CD1 4.32Å; I33-Y42 HydrophobicContact CG2-CD1 3.72Å; I33-Y42 HydrophobicContact CG2-CE1 4.05Å; I33-Y42 PolarHBondContact N-O 3.37Å; I33-A49 HydrophobicContact CD1-CB 4.06Å; I33-A49 HydrophobicContact CG1-CB 4.15Å; I33-A49 HydrophobicContact CG2-CB 4.29Å |
| 34 | S | 87.1 | Confident | 88.5 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 136.1 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | E36 Y42 | S34-E36 WeakPolarHBondContact OG-CG 3.37Å; S34-E36 PolarHBondContact OG-N 3.17Å; S34-E36 PolarHBondContact OG-OE2 2.84Å; S34-Y42 PolarHBondContact N-O 2.8Å; S34-Y42 PolarHBondContact O-N 2.76Å |
| 35 | D | 86 | Confident | 88.3 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | trans | -113.8 | 20.9 | 173.9 | 63.5 | -48.3 | 0 | 0 | 0 | 112.6 | L32 N37 W41 | L32-D35 HydrophobicContact CD1-CB 4.39Å; L32-D35 HydrophobicContact CD2-CB 4.24Å; D35-N37 PolarHBondContact O-N 3.38Å; D35-N37 VanDerWaalsContact O-N 3.07Å; D35-W41 HydrophobicContact CB-CG 4.38Å | ||
| 36 | E | 83.3 | Confident | 87.7 | Confident | 168 Ų | 168 | 72.3 Ų | 72.3 | 79% | 0.785 | 36% | 0.357 | S | S | * | . | trans | -56 | -26.9 | -177.2 | -74.8 | 171.8 | 109.2 | 0 | 0 | 113.9 | S34 | S34-E36 WeakPolarHBondContact OG-CG 3.37Å; S34-E36 PolarHBondContact OG-N 3.17Å; S34-E36 PolarHBondContact OG-OE2 2.84Å | ||
| 37 | N | 83.5 | Confident | 86.6 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -99.4 | 131.6 | 176.8 | -66.6 | 82.3 | 0 | 0 | 0 | 111.4 | D35 H39 W40 | D35-N37 PolarHBondContact O-N 3.38Å; D35-N37 VanDerWaalsContact O-N 3.07Å; N37-H39 PolarHBondContact O-N 2.73Å; N37-W40 HydrophobicContact CB-CB 4.09Å; N37-W40 VanDerWaalsContact CB-O 3.22Å; N37-W40 WeakPolarHBondContact CB-O 3.28Å; N37-W40 PolarHBondContact O-N 2.82Å |
| 38 | E | 84.6 | Confident | 85.6 | Confident | 163 Ų | 163 | 77 Ų | 77 | 76% | 0.762 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -61.6 | -29 | -179.8 | -63.5 | -179.7 | 85.4 | 0 | 0 | 113.4 | K57 | E38-K57 VanDerWaalsContact O-CD 3.3Å; E38-K57 WeakPolarHBondContact O-CD 3.3Å |
| 39 | H | 89.5 | Confident | 84.5 | Confident | 138 Ų | 138 | 76.6 Ų | 76.6 | 64% | 0.639 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -104.7 | -21.3 | -177.3 | -63.9 | -62.8 | 0 | 0 | 0 | 113.9 | N37 P56 K57 | N37-H39 PolarHBondContact O-N 2.73Å; H39-P56 CarbonylContact O-C 3.55Å; H39-P56 VanDerWaalsContact O-CA 3.28Å; H39-P56 WeakPolarHBondContact O-CA 3.3Å; H39-K57 PolarHBondContact O-N 2.87Å |
| 40 | W | 91 | Very high | 83.6 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130 | -170.7 | -65.9 | 91.1 | 0 | 0 | 0 | 110.4 | N37 Y54 L55 P56 | N37-W40 HydrophobicContact CB-CB 4.09Å; N37-W40 VanDerWaalsContact CB-O 3.22Å; N37-W40 WeakPolarHBondContact CB-O 3.28Å; N37-W40 PolarHBondContact O-N 2.82Å; W40-Y54 HydrophobicContact CB-CD1 4.33Å; W40-L55 CarbonylContact C-O 3.52Å; W40-L55 WeakPolarHBondContact CA-O 3.4Å; W40-P56 HydrophobicContact CE3-CB 4.33Å; W40-P56 HydrophobicContact CH2-CB 4.47Å; W40-P56 HydrophobicContact CZ3-CB 4.28Å; W40-P56 HydrophobicContact CZ3-CG 4.25Å |
| 41 | W | 91.8 | Very high | 83 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.2 | 177.9 | -74.1 | -9.6 | 0 | 0 | 0 | 109.9 | V6 L32 D35 V43 Y54 L55 K57 L60 V62 | V6-W41 HydrophobicContact CG1-CE3 4.13Å; V6-W41 HydrophobicContact CG1-CZ3 3.98Å; L32-W41 HydrophobicContact CD1-CB 3.61Å; L32-W41 HydrophobicContact CD1-CD2 3.96Å; L32-W41 HydrophobicContact CD1-CE3 4.08Å; L32-W41 HydrophobicContact CD1-CG 3.8Å; D35-W41 HydrophobicContact CB-CG 4.38Å; W41-V43 HydrophobicContact CB-CG1 4.32Å; W41-V43 PolarHBondContact O-N 2.91Å; W41-Y54 WeakPolarHBondContact O-CA 3.41Å; W41-L55 PolarHBondContact N-O 2.84Å; W41-L55 PolarHBondContact O-N 2.95Å; W41-K57 HydrophobicContact CD2-CB 4.19Å; W41-K57 HydrophobicContact CD2-CG 4.09Å; W41-K57 HydrophobicContact CE3-CG 4.33Å; W41-K57 HydrophobicContact CG-CB 4.49Å; W41-K57 HydrophobicContact CH2-CD 4.22Å; W41-K57 HydrophobicContact CH2-CG 3.9Å; W41-K57 HydrophobicContact CZ2-CD 3.56Å; W41-K57 VanDerWaalsContact CZ2-CE 3.46Å; W41-K57 HydrophobicContact CZ2-CG 3.65Å; W41-K57 HydrophobicContact CZ3-CG 4.22Å; W41-L60 HydrophobicContact CB-CD1 3.96Å; W41-L60 HydrophobicContact CD2-CD1 4.42Å; W41-L60 HydrophobicContact CE3-CB 4.09Å; W41-L60 HydrophobicContact CE3-CD1 3.72Å; W41-L60 HydrophobicContact CZ3-CB 4.24Å; W41-V62 HydrophobicContact CH2-CG2 3.53Å; W41-V62 HydrophobicContact CZ3-CG2 3.57Å |
| 42 | Y | 89.7 | Confident | 82.8 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 21% | 0.208 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.7 | 174.1 | -168.9 | -114.1 | 0 | 0 | 0 | 108.7 | I33 S34 A49 G52 Y54 | I33-Y42 HydrophobicContact CB-CD1 3.67Å; I33-Y42 HydrophobicContact CB-CE1 4.27Å; I33-Y42 WeakPolarHBondContact CB-O 3.18Å; I33-Y42 HydrophobicContact CG1-CD1 4.32Å; I33-Y42 HydrophobicContact CG2-CD1 3.72Å; I33-Y42 HydrophobicContact CG2-CE1 4.05Å; I33-Y42 PolarHBondContact N-O 3.37Å; S34-Y42 PolarHBondContact N-O 2.8Å; S34-Y42 PolarHBondContact O-N 2.76Å; Y42-A49 PolarHBondContact OH-O 3.14Å; Y42-G52 VanDerWaalsContact CE2-C 3.43Å; Y42-G52 VanDerWaalsContact OH-CA 3.3Å; Y42-G52 WeakPolarHBondContact OH-CA 3.24Å; Y42-Y54 HydrophobicContact CD2-CD1 4.15Å; Y42-Y54 AromaticContact CD2-CD2 3.97Å; Y42-Y54 HydrophobicContact CD2-CD2 3.97Å; Y42-Y54 AromaticContact CD2-CE1 3.95Å; Y42-Y54 HydrophobicContact CD2-CE1 3.95Å; Y42-Y54 AromaticContact CD2-CE2 3.74Å; Y42-Y54 HydrophobicContact CD2-CE2 3.74Å; Y42-Y54 HydrophobicContact CD2-CG 4.17Å; Y42-Y54 AromaticContact CD2-CZ 3.73Å; Y42-Y54 HydrophobicContact CE2-CD2 4.47Å; Y42-Y54 HydrophobicContact CE2-CE2 4.16Å; Y42-Y54 HydrophobicContact CG-CE1 4.28Å |
| 43 | V | 89.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 152.6 | -175.9 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | V6 F30 R31 L32 W41 G52 F53 L55 L60 | V6-V43 HydrophobicContact CG2-CG1 3.78Å; F30-V43 HydrophobicContact CB-CB 3.74Å; F30-V43 HydrophobicContact CB-CG1 4.43Å; F30-V43 HydrophobicContact CB-CG2 3.9Å; F30-V43 HydrophobicContact CD1-CG2 4.38Å; F30-V43 HydrophobicContact CG-CB 4.46Å; F30-V43 HydrophobicContact CG-CG2 4.07Å; R31-V43 CarbonylContact O-C 3.59Å; R31-V43 VanDerWaalsContact O-CA 3.24Å; R31-V43 WeakPolarHBondContact O-CA 3.41Å; L32-V43 HydrophobicContact CD1-CG1 4.22Å; W41-V43 HydrophobicContact CB-CG1 4.32Å; W41-V43 PolarHBondContact O-N 2.91Å; V43-G52 CarbonylContact O-C 3.58Å; V43-G52 WeakPolarHBondContact O-CA 3.5Å; V43-F53 HydrophobicContact CG2-CD2 4.2Å; V43-F53 HydrophobicContact CG2-CE2 3.89Å; V43-F53 HydrophobicContact CG2-CZ 4.17Å; V43-F53 PolarHBondContact N-O 3.48Å; V43-F53 PolarHBondContact O-N 2.86Å; V43-L55 HydrophobicContact CG2-CB 4.39Å; V43-L55 HydrophobicContact CG2-CD1 3.81Å; V43-L55 HydrophobicContact CG2-CG 4.04Å; V43-L60 HydrophobicContact CG1-CD1 4Å |
| 44 | S | 88.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.5 | 172.5 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | R31 T46 | R31-S44 PolarHBondContact N-O 3.44Å; R31-S44 PolarHBondContact O-N 3.41Å; S44-T46 PolarHBondContact OG-N 3.13Å; S44-T46 PolarHBondContact OG-O 2.96Å |
| 45 | K | 84.1 | Confident | 82.7 | Confident | 122 Ų | 122 | 81 Ų | 81 | 53% | 0.53 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -76.9 | -37 | 175.1 | -166.2 | 174.3 | -168.8 | 164.9 | 0 | 111.8 | E28 F30 | E28-K45 WeakPolarHBondContact OE1-CE 3.46Å; E28-K45 IonicContact OE1-NZ 3.31Å; E28-K45 PolarHBondContact OE1-NZ 2.88Å; F30-K45 HydrophobicContact CD1-CB 4.02Å; F30-K45 HydrophobicContact CD1-CG 4.45Å; F30-K45 HydrophobicContact CE1-CB 4.12Å; F30-K45 HydrophobicContact CE1-CD 4.45Å; F30-K45 HydrophobicContact CE1-CG 4.31Å |
| 46 | T | 76.8 | Confident | 82.9 | Confident | 78 Ų | 78 | 76.9 Ų | 76.9 | 48% | 0.479 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -128.9 | 157.1 | -176.2 | 53.1 | 0 | 0 | 0 | 0 | 111.2 | S44 P48 | S44-T46 PolarHBondContact OG-N 3.13Å; S44-T46 PolarHBondContact OG-O 2.96Å; T46-P48 CarbonylContact O-C 3.52Å; T46-P48 VanDerWaalsContact O-O 3.14Å |
| 47 | L | 68.4 | Low | 83.2 | Confident | 104 Ų | 104 | 73.5 Ų | 73.5 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -97.4 | 140.7 | 164.9 | -68.7 | 172.9 | 0 | 0 | 0 | 108.4 | ||
| 48 | P | 67.8 | Low | 83.6 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | S | Bend | cis | -72.3 | 157.2 | 2.7 | 30.6 | -35.3 | 0 | 0 | 0 | 113.3 | T46 E50 | T46-P48 CarbonylContact O-C 3.52Å; T46-P48 VanDerWaalsContact O-O 3.14Å; P48-E50 HydrophobicContact CB-CG 4.24Å; P48-E50 HydrophobicContact CG-CG 4.19Å; P48-E50 WeakPolarHBondContact CG-OE2 3.09Å; P48-E50 PolarHBondContact O-N 2.83Å |
| 49 | A | 67.2 | Low | 83.9 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -70.1 | 20.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I33 Y42 N51 G52 | I33-A49 HydrophobicContact CD1-CB 4.06Å; I33-A49 HydrophobicContact CG1-CB 4.15Å; I33-A49 HydrophobicContact CG2-CB 4.29Å; Y42-A49 PolarHBondContact OH-O 3.14Å; A49-N51 PolarHBondContact O-N 3.46Å; A49-G52 PolarHBondContact O-N 2.9Å |
| 50 | E | 71.3 | Confident | 83.9 | Confident | 159 Ų | 159 | 64.8 Ų | 64.8 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -67.1 | -27 | -179.8 | -67.8 | -176.3 | 88.7 | 0 | 0 | 112.3 | P48 | P48-E50 HydrophobicContact CB-CG 4.24Å; P48-E50 HydrophobicContact CG-CG 4.19Å; P48-E50 WeakPolarHBondContact CG-OE2 3.09Å; P48-E50 PolarHBondContact O-N 2.83Å |
| 51 | N | 75.3 | Confident | 83.9 | Confident | 114 Ų | 114 | 63.7 Ų | 63.7 | 61% | 0.61 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -105 | 33.7 | 176.3 | -64 | -26.3 | 0 | 0 | 0 | 112 | A49 | A49-N51 PolarHBondContact O-N 3.46Š|
| 52 | G | 84.6 | Confident | 83.8 | Confident | 17 Ų | 17 | 65 Ų | 65 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | trans | -74.6 | 160 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y42 V43 A49 | Y42-G52 VanDerWaalsContact CE2-C 3.43Å; Y42-G52 VanDerWaalsContact OH-CA 3.3Å; Y42-G52 WeakPolarHBondContact OH-CA 3.24Å; V43-G52 CarbonylContact O-C 3.58Å; V43-G52 WeakPolarHBondContact O-CA 3.5Å; A49-G52 PolarHBondContact O-N 2.9Å | ||
| 53 | F | 87.6 | Confident | 83.6 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.4 | 176.6 | 52.8 | -88.6 | 0 | 0 | 0 | 110.5 | I22 V24 F30 V43 L55 | I22-F53 HydrophobicContact CD1-CB 3.48Å; I22-F53 VanDerWaalsContact CD1-CB 3.48Å; I22-F53 HydrophobicContact CD1-CD2 4.18Å; I22-F53 HydrophobicContact CD1-CG 3.93Å; I22-F53 HydrophobicContact CG1-CB 4.05Å; I22-F53 HydrophobicContact CG1-CD1 4.49Å; I22-F53 HydrophobicContact CG1-CD2 4.44Å; I22-F53 HydrophobicContact CG1-CG 4.1Å; I22-F53 HydrophobicContact CG2-CD1 4.37Å; I22-F53 HydrophobicContact CG2-CD2 3.6Å; I22-F53 HydrophobicContact CG2-CE1 4.4Å; I22-F53 HydrophobicContact CG2-CE2 3.62Å; I22-F53 HydrophobicContact CG2-CG 3.99Å; I22-F53 HydrophobicContact CG2-CZ 4.04Å; V24-F53 HydrophobicContact CG2-CE2 3.5Å; V24-F53 VanDerWaalsContact CG2-CE2 3.5Å; V24-F53 HydrophobicContact CG2-CZ 3.62Å; F30-F53 HydrophobicContact CD1-CE1 4.46Å; F30-F53 AromaticContact CD1-CZ 3.92Å; F30-F53 HydrophobicContact CD1-CZ 3.92Å; F30-F53 HydrophobicContact CE1-CE1 4.25Å; F30-F53 AromaticContact CE1-CZ 3.59Å; F30-F53 HydrophobicContact CE1-CZ 3.59Å; F30-F53 HydrophobicContact CZ-CZ 4.15Å; V43-F53 HydrophobicContact CG2-CD2 4.2Å; V43-F53 HydrophobicContact CG2-CE2 3.89Å; V43-F53 HydrophobicContact CG2-CZ 4.17Å; V43-F53 PolarHBondContact N-O 3.48Å; V43-F53 PolarHBondContact O-N 2.86Å; F53-L55 HydrophobicContact CD2-CD1 4.43Å; F53-L55 HydrophobicContact CD2-CD2 4.08Å; F53-L55 HydrophobicContact CD2-CG 3.78Å; F53-L55 HydrophobicContact CE2-CD1 3.67Å; F53-L55 HydrophobicContact CE2-CD2 3.85Å; F53-L55 HydrophobicContact CE2-CG 3.51Å |
| 54 | Y | 88.4 | Confident | 82.7 | Confident | 124 Ų | 124 | 68.3 Ų | 68.3 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129.6 | 177.9 | -68.8 | -84.5 | 0 | 0 | 0 | 110.5 | W40 W41 Y42 | W40-Y54 HydrophobicContact CB-CD1 4.33Å; W41-Y54 WeakPolarHBondContact O-CA 3.41Å; Y42-Y54 HydrophobicContact CD2-CD1 4.15Å; Y42-Y54 AromaticContact CD2-CD2 3.97Å; Y42-Y54 HydrophobicContact CD2-CD2 3.97Å; Y42-Y54 AromaticContact CD2-CE1 3.95Å; Y42-Y54 HydrophobicContact CD2-CE1 3.95Å; Y42-Y54 AromaticContact CD2-CE2 3.74Å; Y42-Y54 HydrophobicContact CD2-CE2 3.74Å; Y42-Y54 HydrophobicContact CD2-CG 4.17Å; Y42-Y54 AromaticContact CD2-CZ 3.73Å; Y42-Y54 HydrophobicContact CE2-CD2 4.47Å; Y42-Y54 HydrophobicContact CE2-CE2 4.16Å; Y42-Y54 HydrophobicContact CG-CE1 4.28Å |
| 55 | L | 88.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.6 | 171.3 | -79.7 | -175.3 | 0 | 0 | 0 | 110.8 | Y12 V24 F30 W40 W41 V43 F53 K57 L60 | Y12-L55 HydrophobicContact CD1-CD2 3.28Å; Y12-L55 HydrophobicContact CE1-CD2 3.64Å; Y12-L55 HydrophobicContact CG-CD2 3.83Å; V24-L55 HydrophobicContact CG1-CD1 4.31Å; V24-L55 HydrophobicContact CG2-CD1 4.21Å; V24-L55 HydrophobicContact CG2-CD2 4.23Å; F30-L55 HydrophobicContact CD2-CD1 4.43Å; F30-L55 HydrophobicContact CE2-CD1 4.45Å; W40-L55 CarbonylContact C-O 3.52Å; W40-L55 WeakPolarHBondContact CA-O 3.4Å; W41-L55 PolarHBondContact N-O 2.84Å; W41-L55 PolarHBondContact O-N 2.95Å; V43-L55 HydrophobicContact CG2-CB 4.39Å; V43-L55 HydrophobicContact CG2-CD1 3.81Å; V43-L55 HydrophobicContact CG2-CG 4.04Å; F53-L55 HydrophobicContact CD2-CD1 4.43Å; F53-L55 HydrophobicContact CD2-CD2 4.08Å; F53-L55 HydrophobicContact CD2-CG 3.78Å; F53-L55 HydrophobicContact CE2-CD1 3.67Å; F53-L55 HydrophobicContact CE2-CD2 3.85Å; F53-L55 HydrophobicContact CE2-CG 3.51Å; L55-K57 PolarHBondContact O-N 3.45Å; L55-L60 HydrophobicContact CB-CD1 3.81Å; L55-L60 HydrophobicContact CB-CD2 4.4Å; L55-L60 HydrophobicContact CB-CG 4.2Å; L55-L60 HydrophobicContact CD1-CD1 4.49Å; L55-L60 HydrophobicContact CD1-CD2 3.73Å; L55-L60 HydrophobicContact CD1-CG 4.41Å |
| 56 | P | 90 | Very high | 80 | Confident | 16 Ų | 16 | 78.1 Ų | 78.1 | 10% | 0.104 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 130.7 | 176.2 | 23.8 | -27.6 | 0 | 0 | 0 | 109.7 | Y12 H39 W40 S58 Y59 | Y12-P56 HydrophobicContact CE2-CG 4.37Å; H39-P56 CarbonylContact O-C 3.55Å; H39-P56 VanDerWaalsContact O-CA 3.28Å; H39-P56 WeakPolarHBondContact O-CA 3.3Å; W40-P56 HydrophobicContact CE3-CB 4.33Å; W40-P56 HydrophobicContact CH2-CB 4.47Å; W40-P56 HydrophobicContact CZ3-CB 4.28Å; W40-P56 HydrophobicContact CZ3-CG 4.25Å; P56-S58 PolarHBondContact O-N 3.02Å; P56-S58 VanDerWaalsContact O-N 3.13Å; P56-Y59 HydrophobicContact CB-CD2 4.12Å; P56-Y59 HydrophobicContact CG-CD2 3.53Å; P56-Y59 HydrophobicContact CG-CE2 4.15Å; P56-Y59 HydrophobicContact CG-CG 3.75Å; P56-Y59 WeakPolarHBondContact O-CB 3.45Å; P56-Y59 PolarHBondContact O-N 2.92Å |
| 57 | K | 89.5 | Confident | 78.8 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -52.6 | -37.2 | 179.2 | 176.1 | 179.8 | 177.8 | 178.9 | 0 | 112.1 | E38 H39 W41 L55 Y59 L60 | E38-K57 VanDerWaalsContact O-CD 3.3Å; E38-K57 WeakPolarHBondContact O-CD 3.3Å; H39-K57 PolarHBondContact O-N 2.87Å; W41-K57 HydrophobicContact CD2-CB 4.19Å; W41-K57 HydrophobicContact CD2-CG 4.09Å; W41-K57 HydrophobicContact CE3-CG 4.33Å; W41-K57 HydrophobicContact CG-CB 4.49Å; W41-K57 HydrophobicContact CH2-CD 4.22Å; W41-K57 HydrophobicContact CH2-CG 3.9Å; W41-K57 HydrophobicContact CZ2-CD 3.56Å; W41-K57 VanDerWaalsContact CZ2-CE 3.46Å; W41-K57 HydrophobicContact CZ2-CG 3.65Å; W41-K57 HydrophobicContact CZ3-CG 4.22Å; L55-K57 PolarHBondContact O-N 3.45Å; K57-Y59 PolarHBondContact O-N 2.95Å; K57-Y59 VanDerWaalsContact O-N 3.14Å; K57-L60 PolarHBondContact O-N 2.74Å; K57-L60 VanDerWaalsContact O-O 3.09Å |
| 58 | S | 90.8 | Very high | 77.5 | Confident | 96 Ų | 96 | 83.5 Ų | 83.5 | 67% | 0.671 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -62.4 | -18.5 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 114.1 | P56 | P56-S58 PolarHBondContact O-N 3.02Å; P56-S58 VanDerWaalsContact O-N 3.13Å |
| 59 | Y | 90.9 | Very high | 76.4 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 36% | 0.357 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -93.9 | -3.6 | 176.5 | -78.4 | -124.4 | 0 | 0 | 0 | 112.1 | A8 L9 Y10 Y12 P56 K57 | A8-Y59 CarbonylContact C-O 3.49Å; A8-Y59 WeakPolarHBondContact CA-O 3.37Å; L9-Y59 PolarHBondContact N-O 3.31Å; Y10-Y59 AromaticContact CD2-CD1 3.98Å; Y10-Y59 HydrophobicContact CD2-CD1 3.98Å; Y10-Y59 HydrophobicContact CD2-CE1 4.24Å; Y10-Y59 HydrophobicContact CD2-CG 4.17Å; Y10-Y59 HydrophobicContact CG-CD1 4.33Å; Y10-Y59 HydrophobicContact CG-CE1 4.37Å; Y12-Y59 HydrophobicContact CD2-CD1 4.34Å; Y12-Y59 HydrophobicContact CD2-CE1 4.27Å; P56-Y59 HydrophobicContact CB-CD2 4.12Å; P56-Y59 HydrophobicContact CG-CD2 3.53Å; P56-Y59 HydrophobicContact CG-CE2 4.15Å; P56-Y59 HydrophobicContact CG-CG 3.75Å; P56-Y59 WeakPolarHBondContact O-CB 3.45Å; P56-Y59 PolarHBondContact O-N 2.92Å; K57-Y59 PolarHBondContact O-N 2.95Å; K57-Y59 VanDerWaalsContact O-N 3.14Å |
| 60 | L | 90.1 | Very high | 75.3 | Confident | 14 Ų | 14 | 89.6 Ų | 89.6 | 7% | 0.073 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.5 | -173.7 | -65.8 | 176.1 | 0 | 0 | 0 | 110.8 | V6 K7 W41 V43 L55 K57 | V6-L60 HydrophobicContact CB-CB 4.37Å; V6-L60 HydrophobicContact CB-CD2 4.31Å; V6-L60 HydrophobicContact CG2-CD1 4.2Å; V6-L60 HydrophobicContact CG2-CD2 3.99Å; K7-L60 CarbonylContact O-C 3.59Å; K7-L60 WeakPolarHBondContact O-CA 3.09Å; W41-L60 HydrophobicContact CB-CD1 3.96Å; W41-L60 HydrophobicContact CD2-CD1 4.42Å; W41-L60 HydrophobicContact CE3-CB 4.09Å; W41-L60 HydrophobicContact CE3-CD1 3.72Å; W41-L60 HydrophobicContact CZ3-CB 4.24Å; V43-L60 HydrophobicContact CG1-CD1 4Å; L55-L60 HydrophobicContact CB-CD1 3.81Å; L55-L60 HydrophobicContact CB-CD2 4.4Å; L55-L60 HydrophobicContact CB-CG 4.2Å; L55-L60 HydrophobicContact CD1-CD1 4.49Å; L55-L60 HydrophobicContact CD1-CD2 3.73Å; L55-L60 HydrophobicContact CD1-CG 4.41Å; K57-L60 PolarHBondContact O-N 2.74Å; K57-L60 VanDerWaalsContact O-O 3.09Å |
| 61 | K | 90.5 | Very high | 74.5 | Confident | 87 Ų | 87 | 87.9 Ų | 87.9 | 38% | 0.378 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124 | 166.7 | -177.3 | 176.4 | 178.9 | -171.3 | 0 | 109.1 | V6 K7 L9 L63 E67 | V6-K61 CarbonylContact C-O 3.57Å; V6-K61 VanDerWaalsContact CA-O 3.31Å; V6-K61 WeakPolarHBondContact CA-O 3.49Å; K7-K61 PolarHBondContact N-O 3.2Å; K7-K61 PolarHBondContact O-N 3.38Å; L9-K61 HydrophobicContact CD1-CB 4.43Å; L9-K61 HydrophobicContact CD2-CB 3.88Å; L9-K61 HydrophobicContact CG-CB 4.18Å; K61-L63 PolarHBondContact O-N 2.88Å; K61-E67 WeakPolarHBondContact CE-OE2 3.22Å; K61-E67 IonicContact NZ-OE1 2.62Å; K61-E67 PolarHBondContact NZ-OE1 2.87Å; K61-E67 IonicContact NZ-OE2 2.91Å; K61-E67 PolarHBondContact NZ-OE2 2.68Å |
| 62 | V | 89.7 | Confident | 73.9 | Confident | 50 Ų | 50 | 87.2 Ų | 87.2 | 30% | 0.303 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 124.8 | 172.2 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | T4 V6 W41 S64 | T4-V62 HydrophobicContact CG2-CG1 3.6Å; V6-V62 HydrophobicContact CG1-CG2 4.14Å; W41-V62 HydrophobicContact CH2-CG2 3.53Å; W41-V62 HydrophobicContact CZ3-CG2 3.57Å; V62-S64 PolarHBondContact O-N 2.79Å |
| 63 | L | 85.6 | Confident | 72.4 | Confident | 46 Ų | 46 | 92.4 Ų | 92.4 | 24% | 0.241 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 87.9 | 170.5 | -59.8 | -176.1 | 0 | 0 | 0 | 107.5 | I5 K7 K29 K61 | I5-L63 HydrophobicContact CB-CB 4.42Å; I5-L63 HydrophobicContact CG2-CD1 4.11Å; I5-L63 PolarHBondContact O-N 3.35Å; K7-L63 HydrophobicContact CB-CD1 4.04Å; K7-L63 HydrophobicContact CB-CD2 4.06Å; K7-L63 HydrophobicContact CB-CG 3.99Å; K7-L63 HydrophobicContact CD-CD2 4.42Å; K29-L63 HydrophobicContact CD-CD1 3.88Å; K29-L63 HydrophobicContact CG-CD1 4.04Å; K61-L63 PolarHBondContact O-N 2.88Å |
| 64 | S | 71.6 | Confident | 70.9 | Confident | 78 Ų | 78 | 95.5 Ų | 95.5 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | trans | -61.5 | 142.9 | 162 | -60.2 | 0 | 0 | 0 | 0 | 108 | V62 E66 | V62-S64 PolarHBondContact O-N 2.79Å; S64-E66 PolarHBondContact O-N 3.4Å | ||
| 65 | V | 60.8 | Low | 69.4 | Low | 152 Ų | 152 | 95.5 Ų | 95.5 | 92% | 0.921 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 16.1 | -173.2 | -177 | 0 | 0 | 0 | 0 | 112.9 | ||
| 66 | E | 55.3 | Low | 67.8 | Low | 176 Ų | 176 | 103.2 Ų | 103.2 | 82% | 0.822 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 8.1 | -168.2 | -68 | -175.8 | 90.7 | 0 | 0 | 115.6 | S64 N68 | S64-E66 PolarHBondContact O-N 3.4Å; E66-N68 PolarHBondContact O-N 3.27Å |
| 67 | E | 49.7 | Very low | 65.9 | Low | 140 Ų | 140 | 109.7 Ų | 109.7 | 65% | 0.654 | 61% | 0.609 | S | S | * | * | trans | -98.1 | 75.1 | 172 | -81.4 | -168.7 | 84.9 | 0 | 0 | 111.8 | K61 | K61-E67 WeakPolarHBondContact CE-OE2 3.22Å; K61-E67 IonicContact NZ-OE1 2.62Å; K61-E67 PolarHBondContact NZ-OE1 2.87Å; K61-E67 IonicContact NZ-OE2 2.91Å; K61-E67 PolarHBondContact NZ-OE2 2.68Å | ||
| 68 | N | 43.1 | Very low | 64.3 | Low | 155 Ų | 155 | 112.4 Ų | 112.4 | 83% | 0.829 | 62% | 0.623 | S | S | * | * | trans | -116.2 | 23.1 | 156.7 | -160.8 | 63.5 | 0 | 0 | 0 | 112.4 | E66 C70 | E66-N68 PolarHBondContact O-N 3.27Å; N68-C70 PolarHBondContact O-N 3.4Å | ||
| 69 | D | 44.8 | Very low | 62.4 | Low | 119 Ų | 119 | 115.6 Ų | 115.6 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | trans | -93.8 | 74.3 | 170.7 | -152 | -98 | 0 | 0 | 0 | 109.1 | N71 | D69-N71 PolarHBondContact O-N 3.22Å; D69-N71 WeakPolarHBondContact OD1-CB 3.22Å; D69-N71 PolarHBondContact OD1-ND2 3.49Å | ||
| 70 | C | 44.2 | Very low | 60 | Low | 121 Ų | 121 | 118.8 Ų | 118.8 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | trans | -68.3 | 78 | 155 | -79.2 | 0 | 0 | 0 | 0 | 107.3 | N68 P72 | N68-C70 PolarHBondContact O-N 3.4Å; C70-P72 WeakPolarHBondContact O-CD 3.16Å | ||
| 71 | N | 54.3 | Low | 58.1 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 66% | 0.658 | 68% | 0.68 | S | S | * | * | trans | -74.2 | 106.2 | 155.3 | -105.1 | -40.4 | 0 | 0 | 0 | 106.7 | D69 | D69-N71 PolarHBondContact O-N 3.22Å; D69-N71 WeakPolarHBondContact OD1-CB 3.22Å; D69-N71 PolarHBondContact OD1-ND2 3.49Å | ||
| 72 | P | 62.6 | Low | 56.1 | Low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | trans | -65.7 | 131 | 163.3 | 28.6 | -32.1 | 0 | 0 | 0 | 107.7 | C70 A74 | C70-P72 WeakPolarHBondContact O-CD 3.16Å; P72-A74 PolarHBondContact O-N 3.49Å | ||
| 73 | P | 51.4 | Low | 54 | Low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -69.9 | 86.1 | 161.2 | 29.5 | -29.4 | 0 | 0 | 0 | 106.6 | D75 | P73-D75 PolarHBondContact O-N 3.18Š| ||
| 74 | A | 57.6 | Low | 52.1 | Low | 94 Ų | 94 | 139.4 Ų | 139.4 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | trans | -69.6 | 94 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | P72 | P72-A74 PolarHBondContact O-N 3.49Š| ||
| 75 | D | 56 | Low | 50.9 | Low | 124 Ų | 124 | 140.6 Ų | 140.6 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | -41 | 173.3 | 154.6 | -157.5 | -79.9 | 0 | 0 | 0 | 111.7 | P73 | P73-D75 PolarHBondContact O-N 3.18Š| ||
| 76 | H | 54.7 | Low | 50.3 | Low | 164 Ų | 164 | 140.9 Ų | 140.9 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 93 | 56.6 | -174.8 | -41.8 | 98.3 | 0 | 0 | 0 | 116.2 | H78 | H76-H78 PolarHBondContact O-N 3.18Š| ||
| 77 | N | 51.1 | Low | 49.7 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | -72.8 | 97.2 | 144.8 | -169 | 22.1 | 0 | 0 | 0 | 108.8 | ||||
| 78 | H | 55.7 | Low | 49.6 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -156.2 | 110.5 | 160.5 | -82.2 | 121.4 | 0 | 0 | 0 | 113.2 | H76 | H76-H78 PolarHBondContact O-N 3.18Š| ||
| 79 | H | 51.6 | Low | 49.3 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 59.5 | 94.6 | 141.8 | -60.1 | 111.4 | 0 | 0 | 0 | 120.7 | H81 | H79-H81 PolarHBondContact O-N 2.84Š| ||
| 80 | H | 40.7 | Very low | 49.6 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | 16.9 | 101.6 | 112 | -158.4 | 113.7 | 0 | 0 | 0 | 115.9 | |||||
| 81 | H | 48.4 | Very low | 49.7 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | -168.7 | 126.6 | 129.6 | -111.9 | -80.4 | 0 | 0 | 0 | 111.5 | H79 | H79-H81 PolarHBondContact O-N 2.84Š| |||
| 82 | Q | 48.8 | Very low | 49.6 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -66.1 | 134.9 | 173.3 | -55.8 | 177.4 | -45.9 | 0 | 0 | 110.6 | ||||
| 83 | H | 45.2 | Very low | 48.8 | Very low | 181 Ų | 181 | 148 Ų | 148 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | -172.1 | 122.4 | 129.2 | -139.6 | -118.3 | 0 | 0 | 0 | 111.7 | |||||
| 84 | S | 46.6 | Very low | 48.8 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -73.7 | 138.9 | 170.4 | 41.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 85 | S | 47.4 | Very low | 48.3 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 172.6 | 98.4 | 150.2 | -76 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 86 | L | 47.4 | Very low | 48 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | 40.1 | 136.1 | 92.7 | -61.5 | 173.2 | 0 | 0 | 0 | 115.5 | |||||
| 87 | W | 43.6 | Very low | 47.6 | Very low | 220 Ų | 220 | 151.8 Ų | 151.8 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | trans | 60.7 | 113.3 | 160.9 | 65.9 | -79.7 | 0 | 0 | 0 | 119.2 | ||||
| 88 | S | 47.7 | Very low | 47.4 | Very low | 92 Ų | 92 | 151 Ų | 151 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | 173 | 128.6 | 108.8 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 89 | L | 36.5 | Very low | 47.4 | Very low | 156 Ų | 156 | 149 Ų | 149 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -100 | 117.2 | 178.1 | -177.1 | 141 | 0 | 0 | 0 | 106.9 | ||||
| 90 | N | 49.6 | Very low | 47.3 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -135.7 | 106.9 | 169.8 | -83.5 | 73.1 | 0 | 0 | 0 | 108.9 | ||||
| 91 | D | 46 | Very low | 48.1 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -61.9 | 128.5 | 156 | -105.2 | -103.2 | 0 | 0 | 0 | 109.1 | ||||
| 92 | D | 53 | Low | 48.5 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -147.8 | 127.5 | 155.5 | -162.7 | -111.2 | 0 | 0 | 0 | 109.2 | ||||
| 93 | F | 46.3 | Very low | 48.6 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -83.5 | 125.1 | -169.1 | -135.4 | -98.2 | 0 | 0 | 0 | 109.6 | ||||
| 94 | H | 51.2 | Low | 49 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -139.2 | 109.8 | 162.7 | -118.5 | -114.2 | 0 | 0 | 0 | 111.3 | ||||
| 95 | E | 46.6 | Very low | 49.5 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -68.7 | 131.8 | 172.3 | -165.3 | 178.8 | 101.8 | 0 | 0 | 109.6 | ||||
| 96 | G | 49.1 | Very low | 50.1 | Low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 169 | 76.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 97 | N | 46.8 | Very low | 50.3 | Low | 148 Ų | 148 | 144.7 Ų | 144.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 49.5 | 116.3 | 132 | -160 | 72.5 | 0 | 0 | 0 | 120.9 | ||||
| 98 | D | 48 | Very low | 51 | Low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 51.1 | 112.2 | 145.6 | -102.4 | -108.1 | 0 | 0 | 0 | 119.7 | ||||
| 99 | S | 55.6 | Low | 51.2 | Low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 157 | 128.4 | 114.7 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 100 | D | 50 | Low | 51.8 | Low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | 67.7 | 102.6 | 154.9 | -137.2 | -118.8 | 0 | 0 | 0 | 119.3 | S102 | D100-S102 PolarHBondContact O-N 3.4Š| ||
| 101 | V | 55.6 | Low | 51.8 | Low | 142 Ų | 142 | 139.2 Ų | 139.2 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -76.7 | 107.4 | 170.3 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 102 | S | 58.5 | Low | 52.1 | Low | 83 Ų | 83 | 138.5 Ų | 138.5 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | trans | -83.1 | 138 | 165.8 | -152.8 | 0 | 0 | 0 | 0 | 110.4 | D100 | D100-S102 PolarHBondContact O-N 3.4Š| ||
| 103 | E | 50.1 | Low | 52 | Low | 165 Ų | 165 | 139.4 Ų | 139.4 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | 67.5 | 95.6 | 151.5 | -69.5 | 168 | 95.2 | 0 | 0 | 119.8 | ||||
| 104 | Y | 54 | Low | 52.5 | Low | 227 Ų | 227 | 136 Ų | 136 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -123.6 | 102.2 | 143.3 | -123.8 | -92.3 | 0 | 0 | 0 | 108.3 | ||||
| 105 | S | 57.7 | Low | 52.6 | Low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -111.3 | 103.9 | 166.4 | -76.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 106 | P | 59.2 | Low | 52.9 | Low | 105 Ų | 105 | 133.4 Ų | 133.4 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 135.4 | 160.4 | 31.9 | -26.2 | 0 | 0 | 0 | 110.2 | ||
| 107 | S | 51 | Low | 53.3 | Low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53 | 136 | -175.3 | -41.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 108 | V | 59.2 | Low | 53.9 | Low | 119 Ų | 119 | 145.6 Ų | 145.6 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 159.3 | 178.5 | -65.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 109 | P | 51.9 | Low | 54.5 | Low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | -122.5 | 132.5 | 126.5 | 33.7 | -26.7 | 0 | 0 | 0 | 111 | G111 | P109-G111 PolarHBondContact O-N 2.92Š| |||
| 110 | F | 48.5 | Very low | 54.6 | Low | 195 Ų | 195 | 145 Ų | 145 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -37.8 | 100.1 | 179.2 | -73.3 | -100.8 | 0 | 0 | 0 | 114.3 | ||||
| 111 | G | 49.8 | Very low | 55.1 | Low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -95.2 | 102.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | P109 L113 | P109-G111 PolarHBondContact O-N 2.92Å; G111-L113 PolarHBondContact O-N 3.2Å | ||
| 112 | C | 52 | Low | 55.5 | Low | 126 Ų | 126 | 140.3 Ų | 140.3 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.8 | 176 | -93 | 0 | 0 | 0 | 0 | 110.2 | ||
| 113 | L | 50.9 | Low | 55.7 | Low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 135.8 | -169.8 | -71.8 | 151.1 | 0 | 0 | 0 | 113.3 | G111 | G111-L113 PolarHBondContact O-N 3.2Š|
| 114 | S | 56.9 | Low | 56.7 | Low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 145.2 | 159.4 | -66 | 0 | 0 | 0 | 0 | 111.7 | ||
| 115 | E | 53.4 | Low | 56.8 | Low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | 61.4 | 91 | 145.8 | -68.8 | -177.1 | 79.5 | 0 | 0 | 118.3 | R117 | E115-R117 PolarHBondContact O-N 2.81Š| ||
| 116 | S | 52.3 | Low | 56.7 | Low | 129 Ų | 129 | 142.2 Ų | 142.2 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -56.7 | 115.3 | 152.3 | -82.5 | 0 | 0 | 0 | 0 | 110.6 | R118 | S116-R118 PolarHBondContact O-N 3.18Š| ||
| 117 | R | 58.2 | Low | 56.6 | Low | 229 Ų | 229 | 144.3 Ų | 144.3 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -31 | 118.7 | 169.9 | -65.5 | 172.9 | 176.9 | -174.7 | -2.6 | 113.8 | E115 V119 | E115-R117 PolarHBondContact O-N 2.81Å; R117-V119 PolarHBondContact O-N 3.07Å | ||
| 118 | R | 59 | Low | 56.9 | Low | 246 Ų | 246 | 145.5 Ų | 145.5 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | trans | -66.4 | 106.2 | 151.9 | -79.7 | -175 | 172 | 174.4 | -1.2 | 108.3 | S116 S120 | S116-R118 PolarHBondContact O-N 3.18Å; R118-S120 PolarHBondContact O-N 3.29Å | ||
| 119 | V | 59.9 | Low | 56.8 | Low | 126 Ų | 126 | 147.2 Ų | 147.2 | 76% | 0.764 | 84% | 0.841 | S | S | * | * | trans | -85.6 | 102.9 | 160 | 174.9 | 0 | 0 | 0 | 0 | 106.7 | R117 A121 | R117-V119 PolarHBondContact O-N 3.07Å; V119-A121 PolarHBondContact O-N 2.73Å | ||
| 120 | S | 59.6 | Low | 57.1 | Low | 108 Ų | 108 | 148.9 Ų | 148.9 | 76% | 0.755 | 84% | 0.844 | S | S | * | * | trans | -78.4 | 109 | 161.1 | -67.6 | 0 | 0 | 0 | 0 | 107.3 | R118 | R118-S120 PolarHBondContact O-N 3.29Š| ||
| 121 | A | 59.9 | Low | 57.7 | Low | 83 Ų | 83 | 145.6 Ų | 145.6 | 69% | 0.686 | 84% | 0.843 | S | S | * | * | trans | -92.9 | 107 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | V119 | V119-A121 PolarHBondContact O-N 2.73Š| ||
| 122 | S | 63.4 | Low | 58.4 | Low | 119 Ų | 119 | 151.5 Ų | 151.5 | 83% | 0.832 | 85% | 0.854 | S | S | * | * | trans | -83.8 | 129.7 | 157.3 | -62.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 123 | I | 62.1 | Low | 58.9 | Low | 150 Ų | 150 | 153.7 Ų | 153.7 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | -126.9 | 136.4 | 166.5 | -63.7 | -176.2 | 0 | 0 | 0 | 104.5 | ||||
| 124 | P | 71.1 | Confident | 59.6 | Low | 199 Ų | 199 | 152.1 Ų | 152.1 | 100% | 1.292 | 85% | 0.851 | S | S | * | * | trans | -52 | 0 | -156.3 | 19.1 | -37.4 | 0 | 0 | 0 | 117.8 |
Retrieved 124 of 124 residues in 65.3 ms
(Link to these results)