| 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 | A | 78.8 | Confident | 92.5 | Very high | 116 Ų | 116 | 76.3 Ų | 76.3 | 96% | 0.959 | 46% | 0.462 | S | S | * | . | 0 | 144.5 | 0 | 0 | 0 | 0 | 0 | 0 | 108.2 | T100 | A1-T100 CarbonylContact C-O 3.58Å; A1-T100 WeakPolarHBondContact CA-O 3.48Å | |||
| 2 | E | 87.1 | Confident | 92.9 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 35% | 0.346 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.5 | -174.3 | -167.6 | 167 | 176.5 | 0 | 0 | 109.8 | V4 V10 T100 L101 T102 | E2-V4 HydrophobicContact CG-CG1 3.97Å; E2-V10 HydrophobicContact CG-CG2 4.39Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; E2-T100 PolarHBondContact N-O 3.25Å; E2-L101 HydrophobicContact CB-CD1 4.01Å; E2-L101 HydrophobicContact CG-CD1 4.28Å; E2-L101 WeakPolarHBondContact O-CA 3.31Å; E2-T102 PolarHBondContact O-N 2.94Å |
| 3 | L | 92.5 | Very high | 93.1 | Very high | 125 Ų | 125 | 70.8 Ų | 70.8 | 65% | 0.654 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.8 | -179.8 | -178.3 | 67.3 | 0 | 0 | 0 | 108.7 | T102 S104 | L3-T102 WeakPolarHBondContact CA-O 3.37Å; L3-T102 HydrophobicContact CD1-CG2 3.71Å; L3-S104 WeakPolarHBondContact CD1-OG 3.36Å |
| 4 | V | 94.2 | Very high | 93.2 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 12% | 0.121 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.8 | -174.5 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | E2 A8 L78 L101 T102 V103 S104 | E2-V4 HydrophobicContact CG-CG1 3.97Å; V4-A8 HydrophobicContact CB-CB 4.31Å; V4-L78 HydrophobicContact CB-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.49Å; V4-L78 VanDerWaalsContact CG2-CD1 3.49Å; V4-L101 HydrophobicContact CG1-CD1 4.36Å; V4-L101 HydrophobicContact CG2-CD1 3.88Å; V4-T102 PolarHBondContact N-O 3.29Å; V4-V103 HydrophobicContact CG2-CB 4.4Å; V4-V103 HydrophobicContact CG2-CG1 4.42Å; V4-V103 HydrophobicContact CG2-CG2 3.84Å; V4-V103 WeakPolarHBondContact O-CA 3.16Å; V4-S104 PolarHBondContact O-N 2.63Å |
| 5 | K | 93.8 | Very high | 93.2 | Very high | 148 Ų | 148 | 73 Ų | 73 | 64% | 0.643 | 43% | 0.429 | S | S | * | . | trans | -80.4 | 151.3 | 175.6 | -65.4 | -175.5 | 178.9 | -176 | 0 | 110.8 | A8 | K5-A8 WeakPolarHBondContact O-CB 3.25Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.16Å | ||
| 6 | P | 95 | Very high | 93.1 | Very high | 74 Ų | 74 | 69 Ų | 69 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 141.4 | 169.5 | -25 | 33.9 | 0 | 0 | 0 | 112 | A8 L78 V103 | P6-A8 PolarHBondContact O-N 3.3Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; P6-V103 HydrophobicContact CB-CG1 4.44Å; P6-V103 HydrophobicContact CG-CG1 4.18Å |
| 7 | G | 93.6 | Very high | 92.8 | Very high | 53 Ų | 53 | 70.8 Ų | 70.8 | 55% | 0.546 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -12 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L78 | G7-L78 PolarHBondContact N-O 3.34Š|
| 8 | A | 94.8 | Very high | 92.4 | Very high | 35 Ų | 35 | 72 Ų | 72 | 29% | 0.289 | 45% | 0.453 | S | S | . | . | trans | -67.7 | 165.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V4 K5 P6 S77 L78 | V4-A8 HydrophobicContact CB-CB 4.31Å; K5-A8 WeakPolarHBondContact O-CB 3.25Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.16Å; P6-A8 PolarHBondContact O-N 3.3Å; A8-S77 PolarHBondContact O-N 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.36Å; A8-L78 PolarHBondContact O-N 3.32Å | ||
| 9 | S | 95.7 | Very high | 92 | Very high | 71 Ų | 71 | 71.6 Ų | 71.6 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | trans | -116.7 | 145.2 | 169.5 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | L75 S76 | S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 2.98Å; S9-L75 WeakPolarHBondContact CB-O 3.14Å; S9-S76 WeakPolarHBondContact OG-CA 3.37Å | ||
| 10 | V | 95.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.03 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.2 | 178.9 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | E2 L12 Q74 L75 L78 L101 | E2-V10 HydrophobicContact CG-CG2 4.39Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; V10-L12 HydrophobicContact CG2-CD2 3.79Å; V10-L12 HydrophobicContact CG2-CG 4.31Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.27Å; V10-L75 HydrophobicContact CG1-CB 3.86Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 HydrophobicContact CG1-CG 4.42Å; V10-L75 PolarHBondContact N-O 3.23Å; V10-L75 PolarHBondContact O-N 2.97Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; V10-L101 HydrophobicContact CB-CD1 4.43Å; V10-L101 HydrophobicContact CG1-CD1 4.22Å; V10-L101 HydrophobicContact CG1-CD2 3.97Å; V10-L101 HydrophobicContact CG2-CD1 4.28Å |
| 11 | K | 96.6 | Very high | 91.9 | Very high | 118 Ų | 118 | 69 Ų | 69 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 105.1 | 171.6 | -174.5 | 177.6 | 177.8 | -179.1 | 0 | 109.8 | Y72 | K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å |
| 12 | L | 96.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 146.2 | 174.6 | -54.9 | -179.8 | 0 | 0 | 0 | 109.8 | V10 W28 Y72 L73 Y86 T99 | V10-L12 HydrophobicContact CG2-CD2 3.79Å; V10-L12 HydrophobicContact CG2-CG 4.31Å; L12-W28 HydrophobicContact CB-CH2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.1Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 VanDerWaalsContact O-CA 3.22Å; L12-Y72 WeakPolarHBondContact O-CA 2.99Å; L12-L73 HydrophobicContact CB-CB 4.44Å; L12-L73 HydrophobicContact CD1-CD2 4.34Å; L12-L73 PolarHBondContact N-O 3.16Å; L12-L73 PolarHBondContact O-N 2.87Å; L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å; L12-T99 HydrophobicContact CD2-CG2 3.88Å |
| 13 | S | 95.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.5 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | A71 | S13-A71 CarbonylContact C-O 3.37Å; S13-A71 WeakPolarHBondContact CA-O 2.99Å |
| 14 | C | 94.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 64.2 Ų | 64.2 | 10% | 0.101 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 111 | 175 | 177 | 0 | 0 | 0 | 0 | 109.4 | W28 T70 A71 C88 | C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 2.87Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.25Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.77Å |
| 15 | K | 93.7 | Very high | 92.6 | Very high | 160 Ų | 160 | 68.2 Ų | 68.2 | 70% | 0.696 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.8 | 179.8 | -170 | 175.9 | -176.8 | 177 | 0 | 110.1 | ||
| 16 | A | 90.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | trans | -72.3 | 141.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y19 F21 N69 | A16-Y19 HydrophobicContact CB-CE1 4.03Å; A16-Y19 HydrophobicContact CB-CE2 3.92Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 3.99Å; A16-N69 HydrophobicContact CB-CB 4.47Å; A16-N69 PolarHBondContact N-O 3.38Å | ||
| 17 | S | 88.1 | Confident | 92.7 | Very high | 100 Ų | 100 | 58.3 Ų | 58.3 | 70% | 0.699 | 35% | 0.352 | S | S | * | . | trans | -147.2 | 146.1 | 176 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | Y19 | S17-Y19 VanDerWaalsContact C-N 3.34Å; S17-Y19 WeakPolarHBondContact O-CD1 3.31Å; S17-Y19 WeakPolarHBondContact O-CE1 3.25Å; S17-Y19 PolarHBondContact O-N 2.81Å | ||
| 18 | G | 86.1 | Confident | 92.9 | Very high | 92 Ų | 92 | 56 Ų | 56 | 95% | 0.948 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 80.8 | 5.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 19 | Y | 85.3 | Confident | 92.9 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -155.6 | 165.6 | 176.5 | 63.4 | -89 | 0 | 0 | 0 | 112.1 | A16 S17 F21 Y24 M26 N90 | A16-Y19 HydrophobicContact CB-CE1 4.03Å; A16-Y19 HydrophobicContact CB-CE2 3.92Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; S17-Y19 VanDerWaalsContact C-N 3.34Å; S17-Y19 WeakPolarHBondContact O-CD1 3.31Å; S17-Y19 WeakPolarHBondContact O-CE1 3.25Å; S17-Y19 PolarHBondContact O-N 2.81Å; Y19-F21 PolarHBondContact O-N 2.81Å; Y19-Y24 AromaticContact CD2-CD2 3.48Å; Y19-Y24 HydrophobicContact CD2-CD2 3.48Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.48Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 AromaticContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CG-CD2 4.26Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; Y19-M26 WeakPolarHBondContact OH-CE 3.39Å; Y19-N90 WeakPolarHBondContact CE1-ND2 3.48Å |
| 20 | T | 90.5 | Very high | 93 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 53% | 0.534 | 29% | 0.291 | S | S | . | . | trans | -71 | 107.9 | 173.1 | -56.1 | 0 | 0 | 0 | 0 | 110 | T22 S23 | T20-T22 PolarHBondContact O-N 2.99Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T20-S23 WeakPolarHBondContact CB-OG 3.47Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.27Å; T20-S23 PolarHBondContact O-N 3.06Å | ||
| 21 | F | 90.9 | Very high | 93 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -54.6 | -37.6 | -172.8 | 179.3 | -129.8 | 0 | 0 | 0 | 113.8 | A16 Y19 S23 M26 P45 A64 N69 A71 | A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 3.99Å; Y19-F21 PolarHBondContact O-N 2.81Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.45Å; F21-M26 HydrophobicContact CE2-CE 4.05Å; F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 4.27Å; F21-P45 HydrophobicContact CD2-CB 4.45Å; F21-P45 HydrophobicContact CD2-CG 4.09Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 3.96Å; F21-P45 HydrophobicContact CE2-CB 4.26Å; F21-P45 HydrophobicContact CE2-CG 3.75Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.36Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.68Å; F21-P45 WeakPolarHBondContact O-CG 3.38Å; F21-A64 HydrophobicContact CE1-CB 4.09Å; F21-A64 HydrophobicContact CZ-CB 4.03Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 VanDerWaalsContact CB-OD1 3.31Å; F21-N69 WeakPolarHBondContact CB-OD1 3.4Å; F21-N69 HydrophobicContact CD1-CB 4.19Å; F21-N69 HydrophobicContact CG-CB 4.12Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 4.02Å |
| 22 | T | 93.1 | Very high | 92.8 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -75.7 | -9.6 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | T20 Y24 P45 T66 | T20-T22 PolarHBondContact O-N 2.99Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; T22-P45 HydrophobicContact CG2-CB 4.44Å; T22-T66 HydrophobicContact CG2-CG2 3.65Å |
| 23 | S | 91.2 | Very high | 92.5 | Very high | 75 Ų | 75 | 56.3 Ų | 56.3 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -82.2 | -9 | 179.4 | -60 | 0 | 0 | 0 | 0 | 113.6 | T20 F21 | T20-S23 WeakPolarHBondContact CB-OG 3.47Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.27Å; T20-S23 PolarHBondContact O-N 3.06Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.45Å |
| 24 | Y | 89.9 | Confident | 92.2 | Very high | 85 Ų | 85 | 57.1 Ų | 57.1 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -138.8 | 144.9 | -172.8 | -59.6 | -79.7 | 0 | 0 | 0 | 112 | Y19 T22 P45 W91 | Y19-Y24 AromaticContact CD2-CD2 3.48Å; Y19-Y24 HydrophobicContact CD2-CD2 3.48Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.48Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 AromaticContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CG-CD2 4.26Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; Y24-W91 AromaticContact CD1-CE3 3.54Å; Y24-W91 HydrophobicContact CD1-CE3 3.54Å; Y24-W91 AromaticContact CD1-CZ3 3.95Å; Y24-W91 HydrophobicContact CD1-CZ3 3.95Å; Y24-W91 AromaticContact CE1-CE3 3.38Å; Y24-W91 HydrophobicContact CE1-CE3 3.38Å; Y24-W91 AromaticContact CE1-CZ3 3.52Å; Y24-W91 HydrophobicContact CE1-CZ3 3.52Å |
| 25 | W | 93.8 | Very high | 92 | Very high | 103 Ų | 103 | 61 Ų | 61 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 138.5 | 169.2 | -61.9 | -15 | 0 | 0 | 0 | 110.6 | V43 D44 | W25-V43 WeakPolarHBondContact CA-O 2.98Å; W25-D44 VanDerWaalsContact CD1-CB 3.49Å; W25-D44 VanDerWaalsContact CD1-CG 3.49Å; W25-D44 HydrophobicContact CG-CB 4.49Å; W25-D44 VanDerWaalsContact NE1-CG 3.28Å; W25-D44 PolarHBondContact NE1-OD2 2.91Å |
| 26 | M | 94.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 117.3 | 172.8 | -175 | 61.2 | 63.5 | 0 | 0 | 109.4 | Y19 F21 R42 V43 A71 C88 | Y19-M26 WeakPolarHBondContact OH-CE 3.39Å; F21-M26 HydrophobicContact CE2-CE 4.05Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.03Å; M26-R42 WeakPolarHBondContact O-CB 3.36Å; M26-V43 HydrophobicContact CB-CG1 4.07Å; M26-V43 PolarHBondContact N-O 3.07Å; M26-V43 PolarHBondContact O-N 2.88Å; M26-A71 HydrophobicContact CB-CB 4.03Å; M26-A71 HydrophobicContact CG-CB 3.55Å; M26-C88 HydrophobicContact CG-CB 4.47Å; M26-C88 HydrophobicContact SD-CB 3.74Å |
| 27 | H | 96 | Very high | 92.1 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 146.2 | 178.3 | -68.7 | -110.1 | 0 | 0 | 0 | 110.6 | W39 G41 C88 A89 F92 | H27-W39 AromaticContact CG-NE1 3.91Å; H27-W39 AromaticContact ND1-CD1 3.89Å; H27-W39 AromaticContact ND1-CE2 3.94Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 3.23Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; H27-G41 WeakPolarHBondContact CA-O 3.37Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.01Å; H27-A89 PolarHBondContact N-O 3.36Å; H27-A89 PolarHBondContact O-N 3.43Å; H27-F92 AromaticContact CE1-CE2 3.8Å; H27-F92 AromaticContact CE1-CZ 3.53Å; H27-F92 AromaticContact ND1-CE1 3.87Å; H27-F92 AromaticContact ND1-CZ 3.39Å; H27-F92 WeakPolarHBondContact ND1-CZ 3.47Å |
| 28 | W | 96.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 2% | 0.019 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 135 | 171.5 | -72.9 | 96.4 | 0 | 0 | 0 | 110.4 | L12 C14 I40 G41 A71 L73 Y87 C88 | L12-W28 HydrophobicContact CB-CH2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.1Å; C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 2.9Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 3.49Å; W28-L73 VanDerWaalsContact CD2-CB 3.49Å; W28-L73 HydrophobicContact CD2-CD2 3.91Å; W28-L73 HydrophobicContact CD2-CG 4.26Å; W28-L73 HydrophobicContact CE3-CB 3.72Å; W28-L73 HydrophobicContact CE3-CD2 3.66Å; W28-L73 HydrophobicContact CE3-CG 4.34Å; W28-L73 HydrophobicContact CG-CB 4.01Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.48Å; W28-L73 HydrophobicContact CH2-CB 3.96Å; W28-L73 HydrophobicContact CZ2-CB 3.76Å; W28-L73 HydrophobicContact CZ3-CB 3.94Å; W28-L73 HydrophobicContact CZ3-CD2 4.31Å; W28-Y87 WeakPolarHBondContact CA-O 3.07Å; W28-C88 HydrophobicContact CD2-CB 4.4Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å |
| 29 | V | 96.4 | Very high | 93 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137.1 | -173.8 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | L37 E38 Y86 Y87 W95 | V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.38Å; V29-E38 WeakPolarHBondContact CA-O 3.46Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; V29-Y87 PolarHBondContact N-O 3.26Å; V29-Y87 PolarHBondContact O-N 3.39Å; V29-W95 HydrophobicContact CB-CH2 4.2Å; V29-W95 HydrophobicContact CB-CZ3 3.96Å; V29-W95 HydrophobicContact CG1-CH2 4.1Å; V29-W95 HydrophobicContact CG1-CZ3 4.1Å; V29-W95 HydrophobicContact CG2-CH2 3.92Å; V29-W95 HydrophobicContact CG2-CZ3 4.06Å |
| 30 | K | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.1 | 173.9 | -179.1 | 179.6 | -179.7 | 175.9 | 0 | 109.5 | E38 I40 F56 E81 D82 A84 Y86 | K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.93Å; K30-E38 PolarHBondContact O-N 3.41Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CD-CE1 3.93Å; K30-F56 HydrophobicContact CD-CZ 4.16Å; K30-E81 PolarHBondContact NZ-O 3.01Å; K30-D82 IonicContact NZ-OD1 2.97Å; K30-D82 PolarHBondContact NZ-OD1 2.84Å; K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.55Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 4.01Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 WeakPolarHBondContact CE-OH 3.34Å; K30-Y86 HydrophobicContact CG-CD1 4.46Å; K30-Y86 HydrophobicContact CG-CE1 3.89Å |
| 31 | Q | 96 | Very high | 93.8 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 115 | 171.7 | -167.3 | -178.6 | 31.4 | 0 | 0 | 110.1 | L37 A84 V85 Y87 | Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.47Å; Q31-V85 PolarHBondContact N-O 3.32Å; Q31-V85 PolarHBondContact O-N 3.02Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.82Å; Q31-Y87 PolarHBondContact OE1-OH 3.12Å |
| 32 | R | 93.9 | Very high | 94.1 | Very high | 54 Ų | 54 | 51 Ų | 51 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | trans | -85.8 | 149.5 | 170.6 | -63.2 | -166.5 | -172.5 | 103.2 | -5.4 | 110.6 | G34 Q35 E38 E81 A84 | R32-G34 PolarHBondContact O-N 3.46Å; R32-Q35 HydrophobicContact CB-CB 4Å; R32-Q35 HydrophobicContact CB-CG 3.99Å; R32-Q35 VanDerWaalsContact NH1-OE1 3.07Å; R32-Q35 PolarHBondContact O-N 3.46Å; R32-E38 IonicContact CZ-OE2 3.32Å; R32-E38 IonicContact NH1-OE1 3.56Å; R32-E38 IonicContact NH1-OE2 3.82Å; R32-E38 PolarHBondContact NH1-OE2 2.85Å; R32-E81 PolarHBondContact NE-O 2.94Å; R32-E81 PolarHBondContact NH2-O 2.81Å; R32-A84 HydrophobicContact CG-CB 4.18Å | ||
| 33 | P | 89 | Confident | 94.3 | Very high | 114 Ų | 114 | 48.4 Ų | 48.4 | 74% | 0.74 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 125.8 | 173.1 | -25.1 | 34.4 | 0 | 0 | 0 | 111.4 | Q35 | P33-Q35 PolarHBondContact O-N 3.02Š|
| 34 | G | 89.6 | Confident | 94.5 | Very high | 92 Ų | 92 | 45.9 Ų | 45.9 | 95% | 0.948 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 5.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R32 | R32-G34 PolarHBondContact O-N 3.46Š|
| 35 | Q | 91.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 46% | 0.458 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -113.7 | 163.2 | 175.4 | -57.3 | -173.5 | 6.1 | 0 | 0 | 111.5 | R32 P33 | R32-Q35 HydrophobicContact CB-CB 4Å; R32-Q35 HydrophobicContact CB-CG 3.99Å; R32-Q35 VanDerWaalsContact NH1-OE1 3.07Å; R32-Q35 PolarHBondContact O-N 3.46Å; P33-Q35 PolarHBondContact O-N 3.02Å |
| 36 | G | 91.9 | Very high | 94.8 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | trans | -68.4 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 37 | L | 93.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 45.4 Ų | 45.4 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.7 | 173.8 | -64.8 | 171.3 | 0 | 0 | 0 | 110.2 | V29 Q31 W95 | V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W95 HydrophobicContact CD1-CH2 3.73Å; L37-W95 HydrophobicContact CD1-CZ2 4.22Å; L37-W95 HydrophobicContact CD1-CZ3 4.43Å; L37-W95 HydrophobicContact CD2-CH2 4.42Å; L37-W95 HydrophobicContact CD2-CZ3 4.39Å |
| 38 | E | 95.7 | Very high | 94.8 | Very high | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115.1 | 175.1 | -62.6 | -174.1 | 99.2 | 0 | 0 | 109.4 | V29 K30 R32 I40 F56 | V29-E38 CarbonylContact C-O 3.38Å; V29-E38 WeakPolarHBondContact CA-O 3.46Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.93Å; K30-E38 PolarHBondContact O-N 3.41Å; R32-E38 IonicContact CZ-OE2 3.32Å; R32-E38 IonicContact NH1-OE1 3.56Å; R32-E38 IonicContact NH1-OE2 3.82Å; R32-E38 PolarHBondContact NH1-OE2 2.85Å; E38-I40 PolarHBondContact O-N 2.8Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.19Å |
| 39 | W | 96 | Very high | 94.8 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126 | 176.3 | -178.1 | 69.9 | 0 | 0 | 0 | 110.4 | H27 G41 R42 K51 D53 | H27-W39 AromaticContact CG-NE1 3.91Å; H27-W39 AromaticContact ND1-CD1 3.89Å; H27-W39 AromaticContact ND1-CE2 3.94Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 3.23Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; W39-G41 PolarHBondContact NE1-O 2.83Å; W39-R42 HydrophobicContact CZ2-CB 4.06Å; W39-R42 HydrophobicContact CZ2-CG 3.99Å; W39-K51 HydrophobicContact CH2-CB 4.29Å; W39-K51 HydrophobicContact CH2-CD 4.17Å; W39-K51 HydrophobicContact CH2-CG 4.01Å; W39-D53 HydrophobicContact CE3-CB 3.91Å; W39-D53 HydrophobicContact CZ3-CB 4.12Å; W39-D53 VanDerWaalsContact O-CB 3.27Å; W39-D53 WeakPolarHBondContact O-CB 3.39Å |
| 40 | I | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -46.4 | -179 | -61.4 | 174.1 | 0 | 0 | 0 | 110.2 | W28 K30 E38 D53 F56 A60 L73 Y86 | W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.8Å; I40-D53 PolarHBondContact O-N 2.95Å; I40-F56 HydrophobicContact CB-CD2 4.42Å; I40-F56 HydrophobicContact CB-CG 4.34Å; I40-F56 HydrophobicContact CG1-CD1 4.25Å; I40-F56 HydrophobicContact CG1-CD2 4.36Å; I40-F56 HydrophobicContact CG1-CE1 4.28Å; I40-F56 HydrophobicContact CG1-CE2 4.38Å; I40-F56 HydrophobicContact CG1-CG 4.28Å; I40-F56 HydrophobicContact CG1-CZ 4.35Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CG 4.02Å; I40-A60 HydrophobicContact CG2-CB 3.76Å; I40-L73 HydrophobicContact CD1-CD2 3.71Å; I40-L73 HydrophobicContact CG2-CD1 4.16Å; I40-Y86 HydrophobicContact CD1-CD1 3.69Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å |
| 41 | G | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | -175.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H27 W28 W39 K51 | H27-G41 WeakPolarHBondContact CA-O 3.37Å; W28-G41 PolarHBondContact N-O 2.8Å; W39-G41 PolarHBondContact NE1-O 2.83Å; G41-K51 CarbonylContact C-O 3.54Å; G41-K51 WeakPolarHBondContact CA-O 3.33Å |
| 42 | R | 96.6 | Very high | 95 | Very high | 45 Ų | 45 | 59 Ų | 59 | 17% | 0.17 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 160.3 | 174.5 | 71.7 | -172.9 | -176.7 | -163.5 | 3.5 | 111.7 | M26 W39 T50 K51 | M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.03Å; M26-R42 WeakPolarHBondContact O-CB 3.36Å; W39-R42 HydrophobicContact CZ2-CB 4.06Å; W39-R42 HydrophobicContact CZ2-CG 3.99Å; R42-T50 VanDerWaalsContact O-CA 3.3Å; R42-T50 WeakPolarHBondContact O-CA 3.41Å; R42-K51 HydrophobicContact CG-CB 4.19Å; R42-K51 PolarHBondContact N-O 2.81Å; R42-K51 PolarHBondContact O-N 2.74Å |
| 43 | V | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141 | 168 | 60.5 | 0 | 0 | 0 | 0 | 110.1 | W25 M26 P45 Y49 T50 I62 A64 A71 | W25-V43 WeakPolarHBondContact CA-O 2.98Å; M26-V43 HydrophobicContact CB-CG1 4.07Å; M26-V43 PolarHBondContact N-O 3.07Å; M26-V43 PolarHBondContact O-N 2.88Å; V43-P45 WeakPolarHBondContact O-CD 3.06Å; V43-Y49 CarbonylContact C-O 3.6Å; V43-Y49 WeakPolarHBondContact CA-O 3.43Å; V43-T50 HydrophobicContact CB-CG2 3.94Å; V43-T50 HydrophobicContact CG2-CG2 3.84Å; V43-I62 HydrophobicContact CB-CG2 3.61Å; V43-I62 HydrophobicContact CG1-CG2 3.57Å; V43-A64 HydrophobicContact CG1-CB 4.07Å; V43-A64 HydrophobicContact CG2-CB 4.01Å; V43-A71 HydrophobicContact CG1-CB 4.5Å |
| 44 | D | 96.3 | Very high | 95.5 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | trans | -88.4 | 108.1 | 164.4 | -174.5 | -18.3 | 0 | 0 | 0 | 108.8 | W25 A46 N47 G48 Y49 | W25-D44 VanDerWaalsContact CD1-CB 3.49Å; W25-D44 VanDerWaalsContact CD1-CG 3.49Å; W25-D44 HydrophobicContact CG-CB 4.49Å; W25-D44 VanDerWaalsContact NE1-CG 3.28Å; W25-D44 PolarHBondContact NE1-OD2 2.91Å; D44-A46 PolarHBondContact O-N 2.83Å; D44-A46 VanDerWaalsContact OD1-CB 3.28Å; D44-A46 WeakPolarHBondContact OD1-CB 3.2Å; D44-A46 PolarHBondContact OD1-N 2.95Å; D44-N47 WeakPolarHBondContact CB-OD1 3.19Å; D44-N47 PolarHBondContact O-N 3.11Å; D44-N47 PolarHBondContact OD2-ND2 3.06Å; D44-G48 VanDerWaalsContact O-CA 3.25Å; D44-G48 WeakPolarHBondContact O-CA 3.39Å; D44-G48 PolarHBondContact O-N 3.09Å; D44-Y49 PolarHBondContact N-O 2.87Å | ||
| 45 | P | 95.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 5% | 0.045 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.8 | -178 | -18.8 | 33.8 | 0 | 0 | 0 | 113.6 | F21 T22 Y24 V43 A64 T66 | F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 4.27Å; F21-P45 HydrophobicContact CD2-CB 4.45Å; F21-P45 HydrophobicContact CD2-CG 4.09Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 3.96Å; F21-P45 HydrophobicContact CE2-CB 4.26Å; F21-P45 HydrophobicContact CE2-CG 3.75Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.36Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.68Å; F21-P45 WeakPolarHBondContact O-CG 3.38Å; T22-P45 HydrophobicContact CG2-CB 4.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; V43-P45 WeakPolarHBondContact O-CD 3.06Å; P45-A64 HydrophobicContact CB-CB 3.96Å; P45-A64 HydrophobicContact CG-CB 4.33Å; P45-T66 HydrophobicContact CB-CG2 4.47Å; P45-T66 WeakPolarHBondContact O-CG2 3.25Å |
| 46 | A | 95.1 | Very high | 95.8 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 53% | 0.529 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -33.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D44 | D44-A46 PolarHBondContact O-N 2.83Å; D44-A46 VanDerWaalsContact OD1-CB 3.28Å; D44-A46 WeakPolarHBondContact OD1-CB 3.2Å; D44-A46 PolarHBondContact OD1-N 2.95Å |
| 47 | N | 95.1 | Very high | 95.9 | Very high | 109 Ų | 109 | 61.2 Ų | 61.2 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | -2.1 | -173 | 58.2 | 39 | 0 | 0 | 0 | 113.6 | D44 Y49 | D44-N47 WeakPolarHBondContact CB-OD1 3.19Å; D44-N47 PolarHBondContact O-N 3.11Å; D44-N47 PolarHBondContact OD2-ND2 3.06Å; N47-Y49 VanDerWaalsContact C-N 3.25Å; N47-Y49 PolarHBondContact O-N 3.1Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.49Å; N47-Y49 PolarHBondContact OD1-N 3.03Å |
| 48 | G | 94.5 | Very high | 95.9 | Very high | 46 Ų | 46 | 61.6 Ų | 61.6 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | trans | 75.8 | 6.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D44 T50 | D44-G48 VanDerWaalsContact O-CA 3.25Å; D44-G48 WeakPolarHBondContact O-CA 3.39Å; D44-G48 PolarHBondContact O-N 3.09Å; G48-T50 PolarHBondContact O-N 2.89Å | ||
| 49 | Y | 96.4 | Very high | 95.8 | Very high | 136 Ų | 136 | 62.1 Ų | 62.1 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | trans | -62.4 | 130 | 179.1 | 177 | -97.9 | 0 | 0 | 0 | 110.6 | V43 D44 N47 K51 | V43-Y49 CarbonylContact C-O 3.6Å; V43-Y49 WeakPolarHBondContact CA-O 3.43Å; D44-Y49 PolarHBondContact N-O 2.87Å; N47-Y49 VanDerWaalsContact C-N 3.25Å; N47-Y49 PolarHBondContact O-N 3.1Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.49Å; N47-Y49 PolarHBondContact OD1-N 3.03Å; Y49-K51 HydrophobicContact CE1-CB 4.32Å | ||
| 50 | T | 97.5 | Very high | 95.9 | Very high | 45 Ų | 45 | 59.1 Ų | 59.1 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 146.3 | -179.9 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | R42 V43 G48 Y52 I62 | R42-T50 VanDerWaalsContact O-CA 3.3Å; R42-T50 WeakPolarHBondContact O-CA 3.41Å; V43-T50 HydrophobicContact CB-CG2 3.94Å; V43-T50 HydrophobicContact CG2-CG2 3.84Å; G48-T50 PolarHBondContact O-N 2.89Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; T50-I62 HydrophobicContact CG2-CB 4.37Å; T50-I62 WeakPolarHBondContact CG2-O 3.47Å |
| 51 | K | 97.3 | Very high | 95.9 | Very high | 100 Ų | 100 | 62.4 Ų | 62.4 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.7 | 169.9 | -171.5 | -176.3 | 177.5 | 178.6 | 0 | 108.5 | W39 G41 R42 Y49 | W39-K51 HydrophobicContact CH2-CB 4.29Å; W39-K51 HydrophobicContact CH2-CD 4.17Å; W39-K51 HydrophobicContact CH2-CG 4.01Å; G41-K51 CarbonylContact C-O 3.54Å; G41-K51 WeakPolarHBondContact CA-O 3.33Å; R42-K51 HydrophobicContact CG-CB 4.19Å; R42-K51 PolarHBondContact N-O 2.81Å; R42-K51 PolarHBondContact O-N 2.74Å; Y49-K51 HydrophobicContact CE1-CB 4.32Å |
| 52 | Y | 97.8 | Very high | 96 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 154.1 | -178.4 | -61.2 | -90.6 | 0 | 0 | 0 | 110.6 | T50 A60 I62 | T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; Y52-A60 HydrophobicContact CD1-CB 4.46Å; Y52-A60 HydrophobicContact CE1-CB 4.41Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; Y52-I62 HydrophobicContact CD1-CD1 4.06Å; Y52-I62 HydrophobicContact CE1-CB 4.19Å; Y52-I62 HydrophobicContact CE1-CD1 3.69Å; Y52-I62 HydrophobicContact CE1-CG1 3.74Å; Y52-I62 PolarHBondContact OH-N 2.91Å |
| 53 | D | 96.8 | Very high | 96 | Very high | 43 Ų | 43 | 63.5 Ų | 63.5 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | trans | -73.7 | 133.1 | 155.5 | -177.6 | -58.9 | 0 | 0 | 0 | 108.3 | W39 I40 K55 F56 Q57 | W39-D53 HydrophobicContact CE3-CB 3.91Å; W39-D53 HydrophobicContact CZ3-CB 4.12Å; W39-D53 VanDerWaalsContact O-CB 3.27Å; W39-D53 WeakPolarHBondContact O-CB 3.39Å; I40-D53 PolarHBondContact O-N 2.95Å; D53-K55 PolarHBondContact O-N 3.32Å; D53-K55 VanDerWaalsContact OD1-CB 3.25Å; D53-K55 WeakPolarHBondContact OD1-CB 3.11Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.35Å; D53-K55 PolarHBondContact OD1-N 3.04Å; D53-F56 HydrophobicContact CB-CD2 4.06Å; D53-F56 PolarHBondContact O-N 2.83Å; D53-Q57 PolarHBondContact O-N 3.24Å | ||
| 54 | P | 96.1 | Very high | 96 | Very high | 106 Ų | 106 | 65.1 Ų | 65.1 | 69% | 0.688 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -30 | -178.7 | -28.8 | 35.7 | 0 | 0 | 0 | 114.5 | F56 | P54-F56 PolarHBondContact O-N 2.92Š|
| 55 | K | 93.7 | Very high | 96 | Very high | 161 Ų | 161 | 66.5 Ų | 66.5 | 70% | 0.7 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.2 | 177.9 | -66 | 174.7 | 179 | 177.5 | 0 | 113.1 | D53 | D53-K55 PolarHBondContact O-N 3.32Å; D53-K55 VanDerWaalsContact OD1-CB 3.25Å; D53-K55 WeakPolarHBondContact OD1-CB 3.11Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.35Å; D53-K55 PolarHBondContact OD1-N 3.04Å |
| 56 | F | 95.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 69.7 Ų | 69.7 | 8% | 0.083 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -10.2 | -174.1 | -62.1 | -83.5 | 0 | 0 | 0 | 113.2 | K30 E38 I40 D53 P54 A58 K59 A60 | K30-F56 HydrophobicContact CD-CE1 3.93Å; K30-F56 HydrophobicContact CD-CZ 4.16Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.19Å; I40-F56 HydrophobicContact CB-CD2 4.42Å; I40-F56 HydrophobicContact CB-CG 4.34Å; I40-F56 HydrophobicContact CG1-CD1 4.25Å; I40-F56 HydrophobicContact CG1-CD2 4.36Å; I40-F56 HydrophobicContact CG1-CE1 4.28Å; I40-F56 HydrophobicContact CG1-CE2 4.38Å; I40-F56 HydrophobicContact CG1-CG 4.28Å; I40-F56 HydrophobicContact CG1-CZ 4.35Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CG 4.02Å; D53-F56 HydrophobicContact CB-CD2 4.06Å; D53-F56 PolarHBondContact O-N 2.83Å; P54-F56 PolarHBondContact O-N 2.92Å; F56-A58 PolarHBondContact O-N 3.13Å; F56-A58 VanDerWaalsContact O-N 3.13Å; F56-K59 PolarHBondContact O-N 2.64Å; F56-A60 HydrophobicContact CB-CB 4.18Å; F56-A60 WeakPolarHBondContact O-CB 3.16Å; F56-A60 PolarHBondContact O-N 2.89Å |
| 57 | Q | 93.6 | Very high | 95.9 | Very high | 128 Ų | 128 | 71.7 Ų | 71.7 | 60% | 0.598 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.7 | -172.9 | -171.5 | 174 | 2.1 | 0 | 0 | 114.2 | D53 K59 | D53-Q57 PolarHBondContact O-N 3.24Å; Q57-K59 VanDerWaalsContact C-N 3.35Å |
| 58 | A | 93.8 | Very high | 95.8 | Very high | 105 Ų | 105 | 68.2 Ų | 68.2 | 87% | 0.868 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F56 | F56-A58 PolarHBondContact O-N 3.13Å; F56-A58 VanDerWaalsContact O-N 3.13Å |
| 59 | K | 94.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 69.3 Ų | 69.3 | 23% | 0.226 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -28.4 | -168.7 | -122.5 | -173.6 | -179.3 | -178.5 | 0 | 113.8 | F56 Q57 L75 S76 S77 T79 D82 | F56-K59 PolarHBondContact O-N 2.64Å; Q57-K59 VanDerWaalsContact C-N 3.35Å; K59-L75 WeakPolarHBondContact O-CA 3.3Å; K59-S76 WeakPolarHBondContact CE-O 3.38Å; K59-S76 WeakPolarHBondContact CG-O 3.26Å; K59-S76 PolarHBondContact O-N 3.21Å; K59-S76 PolarHBondContact O-OG 2.8Å; K59-S77 WeakPolarHBondContact CE-O 3.4Å; K59-S77 PolarHBondContact NZ-O 3.01Å; K59-T79 PolarHBondContact NZ-OG1 3.38Å; K59-D82 IonicContact NZ-OD1 3.71Å; K59-D82 IonicContact NZ-OD2 2.64Å; K59-D82 PolarHBondContact NZ-OD2 2.81Å |
| 60 | A | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I40 Y52 F56 L73 Q74 L75 | I40-A60 HydrophobicContact CG2-CB 3.76Å; Y52-A60 HydrophobicContact CD1-CB 4.46Å; Y52-A60 HydrophobicContact CE1-CB 4.41Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; F56-A60 HydrophobicContact CB-CB 4.18Å; F56-A60 WeakPolarHBondContact O-CB 3.16Å; F56-A60 PolarHBondContact O-N 2.89Å; A60-L73 HydrophobicContact CB-CD1 3.83Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.97Å |
| 61 | T | 97.9 | Very high | 95.8 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119 | 167.9 | -58.8 | 0 | 0 | 0 | 0 | 108.2 | T63 Q74 | T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-Q74 PolarHBondContact N-O 2.98Å; T61-Q74 PolarHBondContact O-N 3.01Å |
| 62 | I | 97.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.1 | 178.9 | -58.6 | 166.5 | 0 | 0 | 0 | 109 | V43 T50 Y52 Y72 L73 | V43-I62 HydrophobicContact CB-CG2 3.61Å; V43-I62 HydrophobicContact CG1-CG2 3.57Å; T50-I62 HydrophobicContact CG2-CB 4.37Å; T50-I62 WeakPolarHBondContact CG2-O 3.47Å; Y52-I62 HydrophobicContact CD1-CD1 4.06Å; Y52-I62 HydrophobicContact CE1-CB 4.19Å; Y52-I62 HydrophobicContact CE1-CD1 3.69Å; Y52-I62 HydrophobicContact CE1-CG1 3.74Å; Y52-I62 PolarHBondContact OH-N 2.91Å; I62-Y72 WeakPolarHBondContact CA-O 3.05Å; I62-L73 HydrophobicContact CG1-CD1 3.82Å |
| 63 | T | 97.2 | Very high | 95.8 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 164.9 | 175.5 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | T61 A71 Y72 | T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-A71 CarbonylContact O-C 3.54Å; T63-A71 WeakPolarHBondContact O-CA 3.43Å; T63-Y72 PolarHBondContact N-O 2.8Å; T63-Y72 PolarHBondContact O-N 2.96Å |
| 64 | A | 96.8 | Very high | 95.8 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F21 V43 P45 | F21-A64 HydrophobicContact CE1-CB 4.09Å; F21-A64 HydrophobicContact CZ-CB 4.03Å; V43-A64 HydrophobicContact CG1-CB 4.07Å; V43-A64 HydrophobicContact CG2-CB 4.01Å; P45-A64 HydrophobicContact CB-CB 3.96Å; P45-A64 HydrophobicContact CG-CB 4.33Å |
| 65 | D | 95.9 | Very high | 95.9 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 109.6 | 172.5 | 174.4 | 11.4 | 0 | 0 | 0 | 108.8 | S67 S68 N69 T70 Y72 | D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.17Å; D65-S67 PolarHBondContact OD1-N 3.38Å; D65-S67 PolarHBondContact OD1-OG 2.91Å; D65-S67 PolarHBondContact OD2-OG 3.04Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 3.3Å; D65-N69 WeakPolarHBondContact O-CA 3.13Å; D65-N69 PolarHBondContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 3.19Å; D65-T70 PolarHBondContact O-N 2.82Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å |
| 66 | T | 94.3 | Very high | 96 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 45% | 0.454 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -21.3 | -178.5 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | T22 P45 S68 N69 | T22-T66 HydrophobicContact CG2-CG2 3.65Å; P45-T66 HydrophobicContact CB-CG2 4.47Å; P45-T66 WeakPolarHBondContact O-CG2 3.25Å; T66-S68 VanDerWaalsContact C-N 3.34Å; T66-N69 PolarHBondContact O-OD1 2.81Å |
| 67 | S | 93.4 | Very high | 96 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -35.2 | 177.3 | 74.4 | 0 | 0 | 0 | 0 | 111.8 | D65 | D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.17Å; D65-S67 PolarHBondContact OD1-N 3.38Å; D65-S67 PolarHBondContact OD1-OG 2.91Å; D65-S67 PolarHBondContact OD2-OG 3.04Å |
| 68 | S | 95 | Very high | 96.1 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 1.1 | 179.1 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | D65 T66 T70 | D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 3.3Å; T66-S68 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-OG1 3.35Å; S68-T70 WeakPolarHBondContact OG-CB 3.2Å; S68-T70 PolarHBondContact OG-OG1 2.91Å |
| 69 | N | 94.3 | Very high | 96.1 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 41.2 | -172.6 | -66.5 | -42.1 | 0 | 0 | 0 | 112.8 | A16 F21 D65 T66 | A16-N69 HydrophobicContact CB-CB 4.47Å; A16-N69 PolarHBondContact N-O 3.38Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 VanDerWaalsContact CB-OD1 3.31Å; F21-N69 WeakPolarHBondContact CB-OD1 3.4Å; F21-N69 HydrophobicContact CD1-CB 4.19Å; F21-N69 HydrophobicContact CG-CB 4.12Å; D65-N69 WeakPolarHBondContact O-CA 3.13Å; D65-N69 PolarHBondContact O-N 3.11Å; T66-N69 PolarHBondContact O-OD1 2.81Å |
| 70 | T | 95.9 | Very high | 96 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129 | -172.6 | -57.1 | 0 | 0 | 0 | 0 | 111 | C14 D65 S68 Y72 | C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; D65-T70 PolarHBondContact N-O 3.19Å; D65-T70 PolarHBondContact O-N 2.82Å; S68-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-OG1 3.35Å; S68-T70 WeakPolarHBondContact OG-CB 3.2Å; S68-T70 PolarHBondContact OG-OG1 2.91Å; T70-Y72 HydrophobicContact CG2-CD1 4.21Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.94Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å |
| 71 | A | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 151.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S13 C14 F21 M26 W28 V43 T63 | S13-A71 CarbonylContact C-O 3.37Å; S13-A71 WeakPolarHBondContact CA-O 2.99Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 2.87Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 4.02Å; M26-A71 HydrophobicContact CB-CB 4.03Å; M26-A71 HydrophobicContact CG-CB 3.55Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; V43-A71 HydrophobicContact CG1-CB 4.5Å; T63-A71 CarbonylContact O-C 3.54Å; T63-A71 WeakPolarHBondContact O-CA 3.43Å |
| 72 | Y | 97.4 | Very high | 95.5 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.5 | 178.5 | -56.3 | -82.4 | 0 | 0 | 0 | 111.4 | K11 L12 I62 T63 D65 T70 | K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 VanDerWaalsContact O-CA 3.22Å; L12-Y72 WeakPolarHBondContact O-CA 2.99Å; I62-Y72 WeakPolarHBondContact CA-O 3.05Å; T63-Y72 PolarHBondContact N-O 2.8Å; T63-Y72 PolarHBondContact O-N 2.96Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.21Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.94Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å |
| 73 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.1 | 168 | 170.2 | 66.9 | 0 | 0 | 0 | 107.7 | L12 W28 I40 A60 I62 L75 Y86 | L12-L73 HydrophobicContact CB-CB 4.44Å; L12-L73 HydrophobicContact CD1-CD2 4.34Å; L12-L73 PolarHBondContact N-O 3.16Å; L12-L73 PolarHBondContact O-N 2.87Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 3.49Å; W28-L73 VanDerWaalsContact CD2-CB 3.49Å; W28-L73 HydrophobicContact CD2-CD2 3.91Å; W28-L73 HydrophobicContact CD2-CG 4.26Å; W28-L73 HydrophobicContact CE3-CB 3.72Å; W28-L73 HydrophobicContact CE3-CD2 3.66Å; W28-L73 HydrophobicContact CE3-CG 4.34Å; W28-L73 HydrophobicContact CG-CB 4.01Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.48Å; W28-L73 HydrophobicContact CH2-CB 3.96Å; W28-L73 HydrophobicContact CZ2-CB 3.76Å; W28-L73 HydrophobicContact CZ3-CB 3.94Å; W28-L73 HydrophobicContact CZ3-CD2 4.31Å; I40-L73 HydrophobicContact CD1-CD2 3.71Å; I40-L73 HydrophobicContact CG2-CD1 4.16Å; A60-L73 HydrophobicContact CB-CD1 3.83Å; I62-L73 HydrophobicContact CG1-CD1 3.82Å; L73-L75 HydrophobicContact CD1-CD2 4.03Å; L73-L75 HydrophobicContact CD1-CG 4.44Å; L73-L75 HydrophobicContact CD2-CD1 4.34Å; L73-L75 HydrophobicContact CD2-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CG 4.29Å; L73-L75 HydrophobicContact CG-CD2 4.18Å; L73-L75 HydrophobicContact CG-CG 4.1Å; L73-Y86 HydrophobicContact CD2-CD1 3.96Å |
| 74 | Q | 97.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 46.2 Ų | 46.2 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.8 | 171 | -176.3 | 174.2 | 2.6 | 0 | 0 | 109.2 | V10 A60 T61 | V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.27Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.43Å; T61-Q74 PolarHBondContact N-O 2.98Å; T61-Q74 PolarHBondContact O-N 3.01Å |
| 75 | L | 96.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.2 | 174.3 | -60.5 | 166.6 | 0 | 0 | 0 | 108.4 | S9 V10 K59 A60 L73 L78 Y86 L101 | S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 2.98Å; S9-L75 WeakPolarHBondContact CB-O 3.14Å; V10-L75 HydrophobicContact CG1-CB 3.86Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 HydrophobicContact CG1-CG 4.42Å; V10-L75 PolarHBondContact N-O 3.23Å; V10-L75 PolarHBondContact O-N 2.97Å; K59-L75 WeakPolarHBondContact O-CA 3.3Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; L73-L75 HydrophobicContact CD1-CD2 4.03Å; L73-L75 HydrophobicContact CD1-CG 4.44Å; L73-L75 HydrophobicContact CD2-CD1 4.34Å; L73-L75 HydrophobicContact CD2-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CG 4.29Å; L73-L75 HydrophobicContact CG-CD2 4.18Å; L73-L75 HydrophobicContact CG-CG 4.1Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.06Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å; L75-L101 HydrophobicContact CD1-CD2 4.16Å |
| 76 | S | 96.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | trans | -106.1 | 161.1 | 179.1 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | S9 K59 L78 | S9-S76 WeakPolarHBondContact OG-CA 3.37Å; K59-S76 WeakPolarHBondContact CE-O 3.38Å; K59-S76 WeakPolarHBondContact CG-O 3.26Å; K59-S76 PolarHBondContact O-N 3.21Å; K59-S76 PolarHBondContact O-OG 2.8Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.03Å | ||
| 77 | S | 95.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 42.4 Ų | 42.4 | 52% | 0.524 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 49.3 | 49.5 | 171.7 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | A8 K59 | A8-S77 PolarHBondContact O-N 2.85Å; K59-S77 WeakPolarHBondContact CE-O 3.4Å; K59-S77 PolarHBondContact NZ-O 3.01Å |
| 78 | L | 95.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | trans | -61.5 | 140.3 | -172.5 | -70.6 | 173.5 | 0 | 0 | 0 | 112.5 | V4 P6 G7 A8 V10 L75 S76 D82 L101 V103 | V4-L78 HydrophobicContact CB-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.49Å; V4-L78 VanDerWaalsContact CG2-CD1 3.49Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; G7-L78 PolarHBondContact N-O 3.34Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.36Å; A8-L78 PolarHBondContact O-N 3.32Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.03Å; L78-D82 WeakPolarHBondContact CA-OD2 3.22Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; L78-L101 HydrophobicContact CD1-CD2 4.15Å; L78-L101 HydrophobicContact CD2-CD2 4Å; L78-V103 HydrophobicContact CB-CG1 4.21Å; L78-V103 HydrophobicContact CB-CG2 4.04Å; L78-V103 HydrophobicContact CD1-CG2 4.33Å | ||
| 79 | T | 94.6 | Very high | 95.5 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 33% | 0.331 | 20% | 0.203 | S | C | . | . | trans | -120.5 | 169.1 | 174.7 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | K59 E81 D82 V103 | K59-T79 PolarHBondContact NZ-OG1 3.38Å; T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 2.02Å; T79-V103 WeakPolarHBondContact O-CB 3.41Å; T79-V103 WeakPolarHBondContact O-CG2 3.38Å | ||
| 80 | S | 92.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 33.8 Ų | 33.8 | 60% | 0.601 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -54.3 | -31.2 | 175.6 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | D82 T83 | S80-D82 PolarHBondContact O-N 2.98Å; S80-T83 VanDerWaalsContact O-CB 3.25Å; S80-T83 WeakPolarHBondContact O-CB 3.44Å; S80-T83 PolarHBondContact O-N 2.81Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.97Å; S80-T83 VanDerWaalsContact O-OG1 3.06Å |
| 81 | E | 91.3 | Very high | 93.9 | Very high | 132 Ų | 132 | 41.7 Ų | 41.7 | 62% | 0.617 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -67 | -13.7 | 176.2 | -59.7 | -178.1 | 175.1 | 0 | 0 | 114.5 | K30 R32 T79 T83 | K30-E81 PolarHBondContact NZ-O 3.01Å; R32-E81 PolarHBondContact NE-O 2.94Å; R32-E81 PolarHBondContact NH2-O 2.81Å; T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-T83 VanDerWaalsContact C-N 3.31Å |
| 82 | D | 94.2 | Very high | 92.5 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -85.9 | -4.8 | 174 | -61.8 | -44 | 0 | 0 | 0 | 113.2 | K30 K59 L78 T79 S80 A84 Y86 V103 | K30-D82 IonicContact NZ-OD1 2.97Å; K30-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 IonicContact NZ-OD1 3.71Å; K59-D82 IonicContact NZ-OD2 2.64Å; K59-D82 PolarHBondContact NZ-OD2 2.81Å; L78-D82 WeakPolarHBondContact CA-OD2 3.22Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 2.02Å; S80-D82 PolarHBondContact O-N 2.98Å; D82-A84 PolarHBondContact O-N 2.91Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V103 HydrophobicContact CB-CG2 4.2Å |
| 83 | T | 95.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 51 Ų | 51 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | trans | -63.5 | 111.3 | 170.9 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | S80 E81 L101 T102 V103 | S80-T83 VanDerWaalsContact O-CB 3.25Å; S80-T83 WeakPolarHBondContact O-CB 3.44Å; S80-T83 PolarHBondContact O-N 2.81Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.97Å; S80-T83 VanDerWaalsContact O-OG1 3.06Å; E81-T83 VanDerWaalsContact C-N 3.31Å; T83-L101 VanDerWaalsContact CA-O 3.27Å; T83-L101 WeakPolarHBondContact CA-O 3.42Å; T83-T102 HydrophobicContact CG2-CG2 4.42Å; T83-V103 PolarHBondContact OG1-N 2.89Å | ||
| 84 | A | 96.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 170.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K30 Q31 R32 D82 Y86 L101 | K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.47Å; R32-A84 HydrophobicContact CG-CB 4.18Å; D82-A84 PolarHBondContact O-N 2.91Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-L101 PolarHBondContact N-O 2.63Å; A84-L101 PolarHBondContact O-N 3.05Å |
| 85 | V | 96.9 | Very high | 90.1 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.2 | 162.7 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | Q31 Y87 | Q31-V85 PolarHBondContact N-O 3.32Å; Q31-V85 PolarHBondContact O-N 3.02Å; V85-Y87 HydrophobicContact CB-CE2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.51Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.36Å |
| 86 | Y | 97.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.3 | 178.9 | -69.1 | -96.5 | 0 | 0 | 0 | 109.5 | L12 V29 K30 I40 L73 L75 D82 A84 G98 T99 L101 | L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 4.01Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 WeakPolarHBondContact CE-OH 3.34Å; K30-Y86 HydrophobicContact CG-CD1 4.46Å; K30-Y86 HydrophobicContact CG-CE1 3.89Å; I40-Y86 HydrophobicContact CD1-CD1 3.69Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å; L73-Y86 HydrophobicContact CD2-CD1 3.96Å; L75-Y86 HydrophobicContact CD1-CD1 4.06Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; Y86-G98 CarbonylContact O-C 3.52Å; Y86-G98 VanDerWaalsContact O-CA 3.25Å; Y86-G98 WeakPolarHBondContact O-CA 3.37Å; Y86-T99 PolarHBondContact N-O 3.21Å; Y86-T99 PolarHBondContact O-N 2.95Å; Y86-L101 HydrophobicContact CD2-CB 3.83Å; Y86-L101 HydrophobicContact CD2-CD2 4.32Å; Y86-L101 HydrophobicContact CE2-CB 3.69Å; Y86-L101 HydrophobicContact CE2-CD2 3.66Å; Y86-L101 HydrophobicContact CE2-CG 4.3Å |
| 87 | Y | 95.9 | Very high | 89.5 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 148.6 | -178.9 | -60.7 | -86.6 | 0 | 0 | 0 | 110.5 | W28 V29 Q31 V85 W95 G98 | W28-Y87 WeakPolarHBondContact CA-O 3.07Å; V29-Y87 PolarHBondContact N-O 3.26Å; V29-Y87 PolarHBondContact O-N 3.39Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.82Å; Q31-Y87 PolarHBondContact OE1-OH 3.12Å; V85-Y87 HydrophobicContact CB-CE2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.51Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.36Å; Y87-W95 HydrophobicContact CD1-CE3 4.25Å; Y87-W95 HydrophobicContact CD2-CZ3 4.44Å; Y87-W95 AromaticContact CG-CE3 3.93Å; Y87-W95 HydrophobicContact CG-CE3 3.93Å; Y87-W95 HydrophobicContact CG-CZ3 4.11Å; Y87-G98 VanDerWaalsContact CD1-CA 3.4Å |
| 88 | C | 94.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 149.9 | 161.9 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | C14 M26 H27 W28 G96 | C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.25Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.77Å; M26-C88 HydrophobicContact CG-CB 4.47Å; M26-C88 HydrophobicContact SD-CB 3.74Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.01Å; W28-C88 HydrophobicContact CD2-CB 4.4Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å; C88-G96 PolarHBondContact O-N 2.99Å |
| 89 | A | 92.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 146.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H27 S94 W95 | H27-A89 PolarHBondContact N-O 3.36Å; H27-A89 PolarHBondContact O-N 3.43Å; A89-S94 WeakPolarHBondContact CA-O 3.35Å; A89-S94 WeakPolarHBondContact CB-O 3.36Å; A89-W95 HydrophobicContact CB-CD2 4.07Å; A89-W95 HydrophobicContact CB-CE3 4.35Å; A89-W95 HydrophobicContact CB-CG 4.36Å |
| 90 | N | 86.9 | Confident | 89.4 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 9% | 0.086 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134.6 | 164.7 | 68.5 | -16.9 | 0 | 0 | 0 | 109.3 | Y19 F92 D93 S94 | Y19-N90 WeakPolarHBondContact CE1-ND2 3.48Å; N90-F92 PolarHBondContact O-N 3.22Å; N90-D93 PolarHBondContact O-N 3.39Å; N90-S94 PolarHBondContact N-O 2.84Å; N90-S94 VanDerWaalsContact N-O 3.11Å; N90-S94 PolarHBondContact O-N 3.16Å; N90-S94 WeakPolarHBondContact OD1-CB 3.16Å; N90-S94 PolarHBondContact OD1-O 3.47Å; N90-S94 PolarHBondContact OD1-OG 3.35Å |
| 91 | W | 70.5 | Confident | 89.6 | Confident | 176 Ų | 176 | 59 Ų | 59 | 67% | 0.667 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 11.1 | -180 | -148.8 | -71.3 | 0 | 0 | 0 | 115.8 | Y24 D93 | Y24-W91 AromaticContact CD1-CE3 3.54Å; Y24-W91 HydrophobicContact CD1-CE3 3.54Å; Y24-W91 AromaticContact CD1-CZ3 3.95Å; Y24-W91 HydrophobicContact CD1-CZ3 3.95Å; Y24-W91 AromaticContact CE1-CE3 3.38Å; Y24-W91 HydrophobicContact CE1-CE3 3.38Å; Y24-W91 AromaticContact CE1-CZ3 3.52Å; Y24-W91 HydrophobicContact CE1-CZ3 3.52Å; W91-D93 PolarHBondContact O-N 2.94Å |
| 92 | F | 66.4 | Low | 89.8 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 47% | 0.469 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -6.4 | -171.3 | -54.1 | -79.4 | 0 | 0 | 0 | 116.6 | H27 N90 W95 | H27-F92 AromaticContact CE1-CE2 3.8Å; H27-F92 AromaticContact CE1-CZ 3.53Å; H27-F92 AromaticContact ND1-CE1 3.87Å; H27-F92 AromaticContact ND1-CZ 3.39Å; H27-F92 WeakPolarHBondContact ND1-CZ 3.47Å; N90-F92 PolarHBondContact O-N 3.22Å; F92-W95 PolarHBondContact O-NE1 2.84Å |
| 93 | D | 70.4 | Confident | 89.8 | Confident | 137 Ų | 137 | 55 Ų | 55 | 73% | 0.733 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -26 | 177.6 | -69.2 | -34.1 | 0 | 0 | 0 | 113.1 | N90 W91 | N90-D93 PolarHBondContact O-N 3.39Å; W91-D93 PolarHBondContact O-N 2.94Å |
| 94 | S | 81.6 | Confident | 89.6 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 46% | 0.462 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.7 | 173.3 | -14.9 | 0 | 0 | 0 | 0 | 111.3 | A89 N90 | A89-S94 WeakPolarHBondContact CA-O 3.35Å; A89-S94 WeakPolarHBondContact CB-O 3.36Å; N90-S94 PolarHBondContact N-O 2.84Å; N90-S94 VanDerWaalsContact N-O 3.11Å; N90-S94 PolarHBondContact O-N 3.16Å; N90-S94 WeakPolarHBondContact OD1-CB 3.16Å; N90-S94 PolarHBondContact OD1-O 3.47Å; N90-S94 PolarHBondContact OD1-OG 3.35Å |
| 95 | W | 89.6 | Confident | 88.7 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 37% | 0.367 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.9 | -177.6 | -68.8 | 71.3 | 0 | 0 | 0 | 110.6 | V29 L37 Y87 A89 F92 | V29-W95 HydrophobicContact CB-CH2 4.2Å; V29-W95 HydrophobicContact CB-CZ3 3.96Å; V29-W95 HydrophobicContact CG1-CH2 4.1Å; V29-W95 HydrophobicContact CG1-CZ3 4.1Å; V29-W95 HydrophobicContact CG2-CH2 3.92Å; V29-W95 HydrophobicContact CG2-CZ3 4.06Å; L37-W95 HydrophobicContact CD1-CH2 3.73Å; L37-W95 HydrophobicContact CD1-CZ2 4.22Å; L37-W95 HydrophobicContact CD1-CZ3 4.43Å; L37-W95 HydrophobicContact CD2-CH2 4.42Å; L37-W95 HydrophobicContact CD2-CZ3 4.39Å; Y87-W95 HydrophobicContact CD1-CE3 4.25Å; Y87-W95 HydrophobicContact CD2-CZ3 4.44Å; Y87-W95 AromaticContact CG-CE3 3.93Å; Y87-W95 HydrophobicContact CG-CE3 3.93Å; Y87-W95 HydrophobicContact CG-CZ3 4.11Å; A89-W95 HydrophobicContact CB-CD2 4.07Å; A89-W95 HydrophobicContact CB-CE3 4.35Å; A89-W95 HydrophobicContact CB-CG 4.36Å; F92-W95 PolarHBondContact O-NE1 2.84Å |
| 96 | G | 89.8 | Confident | 88.3 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | trans | -66.5 | 163 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | C88 G98 | C88-G96 PolarHBondContact O-N 2.99Å; G96-G98 PolarHBondContact O-N 3.29Å | ||
| 97 | Q | 90.6 | Very high | 87.8 | Confident | 191 Ų | 191 | 67.3 Ų | 67.3 | 89% | 0.893 | 37% | 0.367 | S | S | * | . | trans | -60.3 | -18.8 | 179.3 | -65.5 | -64.9 | -54.5 | 0 | 0 | 113.7 | ||||
| 98 | G | 92.9 | Very high | 87.4 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 27% | 0.268 | 38% | 0.377 | S | S | . | . | trans | 82.6 | 148.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y86 Y87 G96 | Y86-G98 CarbonylContact O-C 3.52Å; Y86-G98 VanDerWaalsContact O-CA 3.25Å; Y86-G98 WeakPolarHBondContact O-CA 3.37Å; Y87-G98 VanDerWaalsContact CD1-CA 3.4Å; G96-G98 PolarHBondContact O-N 3.29Å | ||
| 99 | T | 95.4 | Very high | 86.9 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 28% | 0.282 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 109 | L12 Y86 L101 | L12-T99 HydrophobicContact CD2-CG2 3.88Å; Y86-T99 PolarHBondContact N-O 3.21Å; Y86-T99 PolarHBondContact O-N 2.95Å; T99-L101 PolarHBondContact O-N 2.8Å |
| 100 | T | 96.3 | Very high | 86.6 | Confident | 63 Ų | 63 | 76.1 Ų | 76.1 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 119.8 | 170.4 | -48.8 | 0 | 0 | 0 | 0 | 109.5 | A1 E2 | A1-T100 CarbonylContact C-O 3.58Å; A1-T100 WeakPolarHBondContact CA-O 3.48Å; E2-T100 PolarHBondContact N-O 3.25Å |
| 101 | L | 95.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.6 | 170.5 | -179.9 | 68.3 | 0 | 0 | 0 | 108.2 | E2 V4 V10 L75 L78 T83 A84 Y86 T99 V103 | E2-L101 HydrophobicContact CB-CD1 4.01Å; E2-L101 HydrophobicContact CG-CD1 4.28Å; E2-L101 WeakPolarHBondContact O-CA 3.31Å; V4-L101 HydrophobicContact CG1-CD1 4.36Å; V4-L101 HydrophobicContact CG2-CD1 3.88Å; V10-L101 HydrophobicContact CB-CD1 4.43Å; V10-L101 HydrophobicContact CG1-CD1 4.22Å; V10-L101 HydrophobicContact CG1-CD2 3.97Å; V10-L101 HydrophobicContact CG2-CD1 4.28Å; L75-L101 HydrophobicContact CD1-CD2 4.16Å; L78-L101 HydrophobicContact CD1-CD2 4.15Å; L78-L101 HydrophobicContact CD2-CD2 4Å; T83-L101 VanDerWaalsContact CA-O 3.27Å; T83-L101 WeakPolarHBondContact CA-O 3.42Å; A84-L101 PolarHBondContact N-O 2.63Å; A84-L101 PolarHBondContact O-N 3.05Å; Y86-L101 HydrophobicContact CD2-CB 3.83Å; Y86-L101 HydrophobicContact CD2-CD2 4.32Å; Y86-L101 HydrophobicContact CE2-CB 3.69Å; Y86-L101 HydrophobicContact CE2-CD2 3.66Å; Y86-L101 HydrophobicContact CE2-CG 4.3Å; T99-L101 PolarHBondContact O-N 2.8Å; L101-V103 HydrophobicContact CG-CG2 4.38Å |
| 102 | T | 95.7 | Very high | 87.7 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 32% | 0.319 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.7 | 176 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | E2 L3 V4 T83 | E2-T102 PolarHBondContact O-N 2.94Å; L3-T102 WeakPolarHBondContact CA-O 3.37Å; L3-T102 HydrophobicContact CD1-CG2 3.71Å; V4-T102 PolarHBondContact N-O 3.29Å; T83-T102 HydrophobicContact CG2-CG2 4.42Å |
| 103 | V | 93.9 | Very high | 89.3 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 105.8 | 177.6 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | V4 P6 L78 T79 D82 T83 L101 | V4-V103 HydrophobicContact CG2-CB 4.4Å; V4-V103 HydrophobicContact CG2-CG1 4.42Å; V4-V103 HydrophobicContact CG2-CG2 3.84Å; V4-V103 WeakPolarHBondContact O-CA 3.16Å; P6-V103 HydrophobicContact CB-CG1 4.44Å; P6-V103 HydrophobicContact CG-CG1 4.18Å; L78-V103 HydrophobicContact CB-CG1 4.21Å; L78-V103 HydrophobicContact CB-CG2 4.04Å; L78-V103 HydrophobicContact CD1-CG2 4.33Å; T79-V103 WeakPolarHBondContact O-CB 3.41Å; T79-V103 WeakPolarHBondContact O-CG2 3.38Å; D82-V103 HydrophobicContact CB-CG2 4.2Å; T83-V103 PolarHBondContact OG1-N 2.89Å; L101-V103 HydrophobicContact CG-CG2 4.38Å |
| 104 | S | 91.3 | Very high | 90.9 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 37% | 0.371 | 40% | 0.395 | S | S | . | . | trans | -141.3 | 149.3 | -179.5 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | L3 V4 | L3-S104 WeakPolarHBondContact CD1-OG 3.36Å; V4-S104 PolarHBondContact O-N 2.63Å | ||
| 105 | S | 78.3 | Confident | 91.7 | Very high | 154 Ų | 154 | 65 Ų | 65 | 100% | 1.077 | 39% | 0.389 | S | S | * | . | trans | -73.7 | 0 | 175 | 56.6 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 105 of 105 residues in 24 ms
(Link to these results)