| 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 | 56.2 | Low | 82.9 | Confident | 238 Ų | 238 | 112.4 Ų | 112.4 | 100% | 1.172 | 61% | 0.614 | S | S | * | * | 0 | 116.8 | 0 | -74.3 | 174.4 | -155.7 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 2.76Š| |||
| 2 | S | 71.9 | Confident | 83.7 | Confident | 121 Ų | 121 | 112.2 Ų | 112.2 | 85% | 0.846 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 122.3 | 168.6 | 48.4 | 0 | 0 | 0 | 0 | 107.6 | ||
| 3 | L | 73.3 | Confident | 84.4 | Confident | 157 Ų | 157 | 106.5 Ų | 106.5 | 82% | 0.822 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 140.1 | 170.3 | -74.3 | 162.7 | 0 | 0 | 0 | 108.2 | M1 L5 | M1-L3 PolarHBondContact O-N 2.76Å; L3-L5 PolarHBondContact O-N 2.97Å; L3-L5 VanDerWaalsContact O-N 3.07Å |
| 4 | P | 79.3 | Confident | 85.3 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 70% | 0.695 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.5 | 174.9 | 20.8 | -29.6 | 0 | 0 | 0 | 109.5 | N6 | P4-N6 PolarHBondContact O-N 2.86Š|
| 5 | L | 82.3 | Confident | 86 | Confident | 129 Ų | 129 | 97.4 Ų | 97.4 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | trans | -82 | 106 | -178.6 | -174.4 | 68.1 | 0 | 0 | 0 | 109.4 | L3 F10 | L3-L5 PolarHBondContact O-N 2.97Å; L3-L5 VanDerWaalsContact O-N 3.07Å; L5-F10 HydrophobicContact CD1-CB 3.97Å; L5-F10 HydrophobicContact CD1-CD2 4.05Å; L5-F10 HydrophobicContact CD1-CG 4.44Å; L5-F10 HydrophobicContact CD2-CB 4.45Å; L5-F10 HydrophobicContact CD2-CD2 3.82Å; L5-F10 HydrophobicContact CD2-CE2 4.38Å; L5-F10 HydrophobicContact CD2-CG 4.28Å; L5-F10 HydrophobicContact CG-CB 4.17Å; L5-F10 HydrophobicContact CG-CD2 4.32Å | ||
| 6 | N | 89.4 | Confident | 86.7 | Confident | 96 Ų | 96 | 94.9 Ų | 94.9 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | trans | -85.6 | 138.4 | 175.5 | -71 | -40.7 | 0 | 0 | 0 | 110.4 | P4 K8 P9 F10 | P4-N6 PolarHBondContact O-N 2.86Å; N6-K8 PolarHBondContact O-N 3.2Å; N6-P9 HydrophobicContact CB-CG 3.8Å; N6-P9 WeakPolarHBondContact O-CD 3.42Å; N6-F10 WeakPolarHBondContact O-CB 3.33Å; N6-F10 PolarHBondContact O-N 2.7Å | ||
| 7 | P | 90.1 | Very high | 87.3 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | -175.6 | -27.8 | 34.7 | 0 | 0 | 0 | 114.8 | F10 L11 M40 | P7-F10 WeakPolarHBondContact O-CB 3.46Å; P7-F10 PolarHBondContact O-N 3.14Å; P7-L11 WeakPolarHBondContact O-CG 3.49Å; P7-L11 PolarHBondContact O-N 3.47Å; P7-M40 HydrophobicContact CB-CE 4.27Å |
| 8 | K | 89.5 | Confident | 87.9 | Confident | 151 Ų | 151 | 91.4 Ų | 91.4 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -53.1 | 179.4 | -75.7 | -178.2 | -179.8 | -177.6 | 0 | 111.9 | N6 F10 L11 N12 | N6-K8 PolarHBondContact O-N 3.2Å; K8-F10 VanDerWaalsContact C-N 3.26Å; K8-F10 PolarHBondContact O-N 3.45Å; K8-L11 PolarHBondContact O-N 2.81Å; K8-N12 WeakPolarHBondContact O-CB 3.5Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 2.98Å; K8-N12 PolarHBondContact O-OD1 2.89Å |
| 9 | P | 91.6 | Very high | 88.4 | Confident | 77 Ų | 77 | 86.6 Ų | 86.6 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.2 | -38.1 | 171.2 | -31.2 | 37.7 | 0 | 0 | 0 | 114.2 | N6 G13 | N6-P9 HydrophobicContact CB-CG 3.8Å; N6-P9 WeakPolarHBondContact O-CD 3.42Å; P9-G13 PolarHBondContact O-N 3.04Å |
| 10 | F | 93.5 | Very high | 88.9 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 31% | 0.311 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -52.3 | 176.1 | 174.2 | -103.8 | 0 | 0 | 0 | 112 | L5 N6 P7 K8 N12 G13 L14 I72 | L5-F10 HydrophobicContact CD1-CB 3.97Å; L5-F10 HydrophobicContact CD1-CD2 4.05Å; L5-F10 HydrophobicContact CD1-CG 4.44Å; L5-F10 HydrophobicContact CD2-CB 4.45Å; L5-F10 HydrophobicContact CD2-CD2 3.82Å; L5-F10 HydrophobicContact CD2-CE2 4.38Å; L5-F10 HydrophobicContact CD2-CG 4.28Å; L5-F10 HydrophobicContact CG-CB 4.17Å; L5-F10 HydrophobicContact CG-CD2 4.32Å; N6-F10 WeakPolarHBondContact O-CB 3.33Å; N6-F10 PolarHBondContact O-N 2.7Å; P7-F10 WeakPolarHBondContact O-CB 3.46Å; P7-F10 PolarHBondContact O-N 3.14Å; K8-F10 VanDerWaalsContact C-N 3.26Å; K8-F10 PolarHBondContact O-N 3.45Å; F10-N12 VanDerWaalsContact C-N 3.34Å; F10-N12 PolarHBondContact O-N 3.2Å; F10-G13 PolarHBondContact O-N 3.32Å; F10-G13 VanDerWaalsContact O-N 3.12Å; F10-L14 HydrophobicContact CD1-CD1 4.26Å; F10-L14 HydrophobicContact CE1-CD1 3.63Å; F10-L14 HydrophobicContact CE2-CD1 4.34Å; F10-L14 HydrophobicContact CZ-CD1 3.69Å; F10-L14 HydrophobicContact CZ-CG 4.45Å; F10-L14 PolarHBondContact O-N 2.81Å; F10-I72 HydrophobicContact CE1-CG2 4.42Å |
| 11 | L | 94.7 | Very high | 89.4 | Confident | 10 Ų | 10 | 79.2 Ų | 79.2 | 5% | 0.052 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 179.5 | -67.4 | 169.4 | 0 | 0 | 0 | 112.1 | P7 K8 G13 L14 T15 V36 M40 M42 I72 | P7-L11 WeakPolarHBondContact O-CG 3.49Å; P7-L11 PolarHBondContact O-N 3.47Å; K8-L11 PolarHBondContact O-N 2.81Å; L11-G13 VanDerWaalsContact C-N 3.27Å; L11-G13 PolarHBondContact O-N 3.29Å; L11-L14 PolarHBondContact O-N 3.35Å; L11-L14 VanDerWaalsContact O-N 3.11Å; L11-T15 PolarHBondContact O-N 2.84Å; L11-T15 PolarHBondContact O-OG1 3.33Å; L11-V36 HydrophobicContact CD1-CG1 4.21Å; L11-M40 HydrophobicContact CD1-CE 4.19Å; L11-M40 HydrophobicContact CD1-CG 3.97Å; L11-M40 HydrophobicContact CD1-SD 4.09Å; L11-M42 HydrophobicContact CD2-CE 4.32Å; L11-I72 HydrophobicContact CD2-CD1 4.26Å; L11-I72 HydrophobicContact CD2-CG2 3.72Å |
| 12 | N | 92 | Very high | 91.4 | Very high | 110 Ų | 110 | 69.8 Ų | 69.8 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.6 | -38.2 | 174.7 | -69.4 | -5.1 | 0 | 0 | 0 | 111.5 | K8 F10 L14 T15 | K8-N12 WeakPolarHBondContact O-CB 3.5Å; K8-N12 VanDerWaalsContact O-CG 3.24Å; K8-N12 PolarHBondContact O-N 2.98Å; K8-N12 PolarHBondContact O-OD1 2.89Å; F10-N12 VanDerWaalsContact C-N 3.34Å; F10-N12 PolarHBondContact O-N 3.2Å; N12-L14 PolarHBondContact O-N 2.82Å; N12-T15 WeakPolarHBondContact O-CB 3.44Å; N12-T15 PolarHBondContact O-N 3.09Å; N12-T15 PolarHBondContact O-OG1 2.93Å |
| 13 | G | 93.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.5 | -16.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P9 F10 L11 K17 | P9-G13 PolarHBondContact O-N 3.04Å; F10-G13 PolarHBondContact O-N 3.32Å; F10-G13 VanDerWaalsContact O-N 3.12Å; L11-G13 VanDerWaalsContact C-N 3.27Å; L11-G13 PolarHBondContact O-N 3.29Å; G13-K17 WeakPolarHBondContact O-CD 3.44Å; G13-K17 WeakPolarHBondContact O-CE 3.33Å; G13-K17 PolarHBondContact O-NZ 3.28Å |
| 14 | L | 96.2 | Very high | 93.8 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -93.2 | -12.3 | 173.9 | -65.8 | -179.7 | 0 | 0 | 0 | 113.1 | F10 L11 N12 G16 K17 V19 L33 I72 | F10-L14 HydrophobicContact CD1-CD1 4.26Å; F10-L14 HydrophobicContact CE1-CD1 3.63Å; F10-L14 HydrophobicContact CE2-CD1 4.34Å; F10-L14 HydrophobicContact CZ-CD1 3.69Å; F10-L14 HydrophobicContact CZ-CG 4.45Å; F10-L14 PolarHBondContact O-N 2.81Å; L11-L14 PolarHBondContact O-N 3.35Å; L11-L14 VanDerWaalsContact O-N 3.11Å; N12-L14 PolarHBondContact O-N 2.82Å; L14-G16 PolarHBondContact O-N 2.81Å; L14-K17 WeakPolarHBondContact O-CB 3.39Å; L14-K17 PolarHBondContact O-N 2.97Å; L14-V19 HydrophobicContact CB-CG1 3.94Å; L14-V19 HydrophobicContact CD1-CG1 4.17Å; L14-V19 HydrophobicContact CD2-CG1 4.4Å; L14-V19 HydrophobicContact CG-CG1 4.4Å; L14-L33 HydrophobicContact CB-CD2 3.73Å; L14-I72 HydrophobicContact CD1-CD1 4.19Å; L14-I72 HydrophobicContact CD1-CG1 4.24Å |
| 15 | T | 96.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 67 Ų | 67 | 37% | 0.368 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 132.5 | 180 | -57.4 | 0 | 0 | 0 | 0 | 110 | L11 N12 K17 V34 | L11-T15 PolarHBondContact O-N 2.84Å; L11-T15 PolarHBondContact O-OG1 3.33Å; N12-T15 WeakPolarHBondContact O-CB 3.44Å; N12-T15 PolarHBondContact O-N 3.09Å; N12-T15 PolarHBondContact O-OG1 2.93Å; T15-K17 VanDerWaalsContact C-N 3.3Å; T15-V34 WeakPolarHBondContact CG2-O 3.44Å |
| 16 | G | 96.6 | Very high | 95 | Very high | 57 Ų | 57 | 62 Ų | 62 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -1.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | L14 L33 | L14-G16 PolarHBondContact O-N 2.81Å; G16-L33 PolarHBondContact N-O 3.37Å |
| 17 | K | 97.5 | Very high | 95.4 | Very high | 115 Ų | 115 | 60.7 Ų | 60.7 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -109.2 | 157.3 | -178.4 | -61.8 | -179 | -177.1 | 165.2 | 0 | 111.2 | G13 L14 T15 V19 L33 | G13-K17 WeakPolarHBondContact O-CD 3.44Å; G13-K17 WeakPolarHBondContact O-CE 3.33Å; G13-K17 PolarHBondContact O-NZ 3.28Å; L14-K17 WeakPolarHBondContact O-CB 3.39Å; L14-K17 PolarHBondContact O-N 2.97Å; T15-K17 VanDerWaalsContact C-N 3.3Å; K17-V19 PolarHBondContact O-N 3.46Å; K17-L33 PolarHBondContact O-N 3.19Å |
| 18 | P | 97.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 134.5 | 171.1 | 28 | -32.6 | 0 | 0 | 0 | 110.5 | G31 Y32 V75 E77 | P18-G31 WeakPolarHBondContact CA-O 3.43Å; P18-Y32 HydrophobicContact CB-CD1 4.48Å; P18-Y32 HydrophobicContact CB-CE1 4.28Å; P18-Y32 HydrophobicContact CG-CE1 4.34Å; P18-V75 HydrophobicContact CB-CB 4.32Å; P18-V75 PolarHBondContact O-N 3.39Å; P18-E77 HydrophobicContact CG-CG 3.46Å; P18-E77 VanDerWaalsContact CG-CG 3.46Å; P18-E77 WeakPolarHBondContact CG-OE1 2.94Å |
| 19 | V | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 159.7 | 179.6 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | L14 K17 V21 K30 G31 L33 L44 I72 R73 | L14-V19 HydrophobicContact CB-CG1 3.94Å; L14-V19 HydrophobicContact CD1-CG1 4.17Å; L14-V19 HydrophobicContact CD2-CG1 4.4Å; L14-V19 HydrophobicContact CG-CG1 4.4Å; K17-V19 PolarHBondContact O-N 3.46Å; V19-V21 HydrophobicContact CG2-CG2 4.27Å; V19-K30 WeakPolarHBondContact O-CA 3.46Å; V19-G31 WeakPolarHBondContact CG2-O 3.27Å; V19-G31 PolarHBondContact N-O 2.86Å; V19-G31 PolarHBondContact O-N 2.93Å; V19-L33 HydrophobicContact CG1-CB 3.89Å; V19-L33 HydrophobicContact CG1-CD2 4.3Å; V19-L33 HydrophobicContact CG2-CB 3.86Å; V19-L33 HydrophobicContact CG2-CD1 4.48Å; V19-L44 HydrophobicContact CG2-CD2 3.59Å; V19-I72 HydrophobicContact CB-CD1 4.08Å; V19-I72 HydrophobicContact CB-CG1 4.15Å; V19-I72 HydrophobicContact CG1-CD1 4.17Å; V19-I72 HydrophobicContact CG2-CD1 4.13Å; V19-R73 CarbonylContact C-O 3.58Å; V19-R73 VanDerWaalsContact CA-O 3.28Å; V19-R73 WeakPolarHBondContact CA-O 3.08Å; V19-R73 WeakPolarHBondContact CB-O 3.4Å |
| 20 | M | 97.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.8 | 167.5 | -175.8 | 162.1 | -83.5 | 0 | 0 | 109.3 | Y29 K30 Y50 I72 R73 V75 | M20-Y29 CarbonylContact C-O 3.56Å; M20-Y29 WeakPolarHBondContact CA-O 2.91Å; M20-K30 HydrophobicContact CE-CB 3.87Å; M20-K30 HydrophobicContact CE-CD 4.31Å; M20-K30 HydrophobicContact CE-CG 4.23Å; M20-Y50 HydrophobicContact CE-CD2 4.49Å; M20-I72 WeakPolarHBondContact O-CA 3.26Å; M20-R73 HydrophobicContact CB-CG 3.98Å; M20-R73 PolarHBondContact N-O 3.12Å; M20-R73 PolarHBondContact O-N 2.76Å; M20-R73 PolarHBondContact SD-NH2 2.96Å; M20-V75 HydrophobicContact CB-CG2 3.76Å |
| 21 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 117.6 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | V19 L23 E28 Y29 M42 L44 I64 V69 I72 | V19-V21 HydrophobicContact CG2-CG2 4.27Å; V21-L23 HydrophobicContact CG1-CD2 4.45Å; V21-E28 WeakPolarHBondContact O-CA 3.34Å; V21-Y29 PolarHBondContact N-O 3.18Å; V21-Y29 PolarHBondContact O-N 3.41Å; V21-M42 HydrophobicContact CG1-SD 4.25Å; V21-M42 HydrophobicContact CG2-SD 3.9Å; V21-L44 HydrophobicContact CG2-CD1 4.14Å; V21-I64 HydrophobicContact CB-CD1 4.08Å; V21-I64 HydrophobicContact CG1-CD1 3.96Å; V21-I64 HydrophobicContact CG2-CD1 4.45Å; V21-V69 HydrophobicContact CG1-CB 4.49Å; V21-V69 HydrophobicContact CG1-CG1 3.91Å; V21-V69 HydrophobicContact CG1-CG2 3.94Å; V21-I72 HydrophobicContact CG2-CB 4.33Å; V21-I72 HydrophobicContact CG2-CD1 4.08Å; V21-I72 HydrophobicContact CG2-CG1 4.01Å |
| 22 | K | 98.2 | Very high | 96.8 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.8 | 174 | -175.8 | 68.2 | 165.7 | -169.2 | 0 | 109.3 | G26 E28 L70 Y71 | K22-G26 VanDerWaalsContact CE-O 3.29Å; K22-G26 WeakPolarHBondContact CE-O 3.48Å; K22-G26 PolarHBondContact NZ-O 2.75Å; K22-E28 HydrophobicContact CB-CG 4.41Å; K22-E28 HydrophobicContact CD-CG 3.23Å; K22-E28 VanDerWaalsContact CD-OE1 3.26Å; K22-E28 WeakPolarHBondContact CD-OE1 3.31Å; K22-E28 WeakPolarHBondContact CE-OE1 3.35Å; K22-E28 HydrophobicContact CG-CG 4.43Å; K22-E28 IonicContact NZ-OE1 2.77Å; K22-E28 PolarHBondContact NZ-OE1 3.44Å; K22-L70 HydrophobicContact CB-CB 4.41Å; K22-L70 HydrophobicContact CG-CB 4.24Å; K22-L70 HydrophobicContact CG-CD2 3.93Å; K22-L70 WeakPolarHBondContact O-CB 3.4Å; K22-L70 PolarHBondContact O-N 3.14Å; K22-Y71 HydrophobicContact CB-CD1 3.76Å; K22-Y71 HydrophobicContact CB-CD2 4.15Å; K22-Y71 HydrophobicContact CB-CE1 3.41Å; K22-Y71 VanDerWaalsContact CB-CE1 3.41Å; K22-Y71 HydrophobicContact CB-CE2 3.82Å; K22-Y71 HydrophobicContact CB-CG 4.11Å; K22-Y71 VanDerWaalsContact CB-CZ 3.43Å; K22-Y71 HydrophobicContact CG-CD1 4.17Å; K22-Y71 HydrophobicContact CG-CE1 3.59Å; K22-Y71 PolarHBondContact N-O 2.82Å; K22-Y71 PolarHBondContact O-N 3.3Å |
| 23 | L | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 155.1 | 169 | -59.1 | -163 | 0 | 0 | 0 | 111.4 | V21 W25 G26 M27 Y29 I64 N68 | V21-L23 HydrophobicContact CG1-CD2 4.45Å; L23-W25 PolarHBondContact O-N 3.11Å; L23-G26 PolarHBondContact O-N 2.82Å; L23-G26 VanDerWaalsContact O-N 3.16Å; L23-M27 HydrophobicContact CD1-CB 4.45Å; L23-M27 PolarHBondContact N-O 3.25Å; L23-Y29 HydrophobicContact CD1-CD2 4.25Å; L23-Y29 HydrophobicContact CD1-CE2 3.47Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y29 HydrophobicContact CD2-CD2 4.35Å; L23-Y29 HydrophobicContact CD2-CE2 4.35Å; L23-Y29 HydrophobicContact CG-CD2 3.99Å; L23-Y29 HydrophobicContact CG-CE2 3.66Å; L23-I64 HydrophobicContact CD2-CG2 3.75Å; L23-N68 CarbonylContact C-O 3.48Å; L23-N68 VanDerWaalsContact CA-O 3.29Å; L23-N68 WeakPolarHBondContact CA-O 3.47Å; L23-N68 HydrophobicContact CD2-CB 4.35Å |
| 24 | K | 97.5 | Very high | 97.3 | Very high | 116 Ų | 116 | 49.2 Ų | 49.2 | 50% | 0.504 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21.8 | 175.6 | -70 | 175.4 | 179.5 | 177.9 | 0 | 114 | N67 N68 V69 L70 | K24-N67 WeakPolarHBondContact CD-O 3.34Å; K24-N67 VanDerWaalsContact CE-O 3.22Å; K24-N67 WeakPolarHBondContact CE-O 3.23Å; K24-N67 PolarHBondContact NZ-O 3.17Å; K24-N68 PolarHBondContact N-O 2.78Å; K24-V69 WeakPolarHBondContact CE-O 3.29Å; K24-L70 HydrophobicContact CG-CB 4.26Å; K24-L70 HydrophobicContact CG-CD1 4.46Å |
| 25 | W | 93.7 | Very high | 97.4 | Very high | 192 Ų | 192 | 50.9 Ų | 50.9 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 6.5 | -174.1 | -45.6 | 111.1 | 0 | 0 | 0 | 113.8 | L23 M27 | L23-W25 PolarHBondContact O-N 3.11Å; W25-M27 HydrophobicContact CB-SD 3.85Å |
| 26 | G | 93.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 104.3 | -25.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | K22 L23 | K22-G26 VanDerWaalsContact CE-O 3.29Å; K22-G26 WeakPolarHBondContact CE-O 3.48Å; K22-G26 PolarHBondContact NZ-O 2.75Å; L23-G26 PolarHBondContact O-N 2.82Å; L23-G26 VanDerWaalsContact O-N 3.16Å |
| 27 | M | 97.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | trans | -64.1 | 144.3 | 176.2 | -53 | 87.2 | 179.6 | 0 | 0 | 111.7 | L23 W25 Y29 | L23-M27 HydrophobicContact CD1-CB 4.45Å; L23-M27 PolarHBondContact N-O 3.25Å; W25-M27 HydrophobicContact CB-SD 3.85Å; M27-Y29 HydrophobicContact CB-CE2 3.88Å | ||
| 28 | E | 98 | Very high | 97.1 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.8 | 174.8 | -76.3 | 171.2 | -173 | 0 | 0 | 109.8 | V21 K22 E49 Y50 | V21-E28 WeakPolarHBondContact O-CA 3.34Å; K22-E28 HydrophobicContact CB-CG 4.41Å; K22-E28 HydrophobicContact CD-CG 3.23Å; K22-E28 VanDerWaalsContact CD-OE1 3.26Å; K22-E28 WeakPolarHBondContact CD-OE1 3.31Å; K22-E28 WeakPolarHBondContact CE-OE1 3.35Å; K22-E28 HydrophobicContact CG-CG 4.43Å; K22-E28 IonicContact NZ-OE1 2.77Å; K22-E28 PolarHBondContact NZ-OE1 3.44Å; E28-E49 CarbonylContact O-C 3.6Å; E28-Y50 PolarHBondContact N-O 2.97Å; E28-Y50 PolarHBondContact O-N 2.76Å |
| 29 | Y | 98.4 | Very high | 97 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 11% | 0.114 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.7 | 175.5 | -63.9 | -84 | 0 | 0 | 0 | 109 | M20 V21 L23 M27 T47 E48 E49 L59 I64 | M20-Y29 CarbonylContact C-O 3.56Å; M20-Y29 WeakPolarHBondContact CA-O 2.91Å; V21-Y29 PolarHBondContact N-O 3.18Å; V21-Y29 PolarHBondContact O-N 3.41Å; L23-Y29 HydrophobicContact CD1-CD2 4.25Å; L23-Y29 HydrophobicContact CD1-CE2 3.47Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y29 HydrophobicContact CD2-CD2 4.35Å; L23-Y29 HydrophobicContact CD2-CE2 4.35Å; L23-Y29 HydrophobicContact CG-CD2 3.99Å; L23-Y29 HydrophobicContact CG-CE2 3.66Å; M27-Y29 HydrophobicContact CB-CE2 3.88Å; Y29-T47 HydrophobicContact CD1-CG2 3.88Å; Y29-T47 HydrophobicContact CG-CG2 4.34Å; Y29-E48 CarbonylContact C-O 3.57Å; Y29-E48 VanDerWaalsContact CA-O 3.31Å; Y29-E48 WeakPolarHBondContact CA-O 3.43Å; Y29-E49 HydrophobicContact CD1-CB 4.11Å; Y29-E49 HydrophobicContact CD1-CG 4.31Å; Y29-E49 HydrophobicContact CE1-CB 3.79Å; Y29-E49 HydrophobicContact CE1-CG 3.66Å; Y29-E49 WeakPolarHBondContact CE1-OE1 3.41Å; Y29-E49 PolarHBondContact OH-OE1 3.06Å; Y29-L59 HydrophobicContact CD1-CD1 4Å; Y29-L59 HydrophobicContact CE1-CD1 3.51Å; Y29-I64 HydrophobicContact CD2-CD1 3.98Å; Y29-I64 HydrophobicContact CG-CD1 4.06Å |
| 30 | K | 98.1 | Very high | 96.9 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 30% | 0.296 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.5 | 172.3 | -173.9 | -175.1 | 171.4 | -167.6 | 0 | 108.2 | V19 M20 T47 E48 Y50 | V19-K30 WeakPolarHBondContact O-CA 3.46Å; M20-K30 HydrophobicContact CE-CB 3.87Å; M20-K30 HydrophobicContact CE-CD 4.31Å; M20-K30 HydrophobicContact CE-CG 4.23Å; K30-T47 CarbonylContact O-C 3.58Å; K30-T47 VanDerWaalsContact O-CA 3.25Å; K30-T47 WeakPolarHBondContact O-CA 3.42Å; K30-E48 HydrophobicContact CB-CB 4.39Å; K30-E48 PolarHBondContact N-O 2.64Å; K30-E48 PolarHBondContact O-N 2.92Å; K30-Y50 HydrophobicContact CB-CD2 4.27Å; K30-Y50 HydrophobicContact CB-CE2 3.74Å; K30-Y50 HydrophobicContact CD-CE2 4.2Å |
| 31 | G | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 61.3 Ų | 61.3 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 174 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | P18 V19 A45 | P18-G31 WeakPolarHBondContact CA-O 3.43Å; V19-G31 WeakPolarHBondContact CG2-O 3.27Å; V19-G31 PolarHBondContact N-O 2.86Å; V19-G31 PolarHBondContact O-N 2.93Å; G31-A45 WeakPolarHBondContact CA-O 3.42Å |
| 32 | Y | 98.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.2 | 175.2 | -70.7 | -86.8 | 0 | 0 | 0 | 110 | P18 V34 L44 A45 N46 E77 | P18-Y32 HydrophobicContact CB-CD1 4.48Å; P18-Y32 HydrophobicContact CB-CE1 4.28Å; P18-Y32 HydrophobicContact CG-CE1 4.34Å; Y32-V34 PolarHBondContact O-N 3.25Å; Y32-V34 VanDerWaalsContact O-N 3.14Å; Y32-L44 CarbonylContact O-C 3.56Å; Y32-L44 VanDerWaalsContact O-CA 3.3Å; Y32-L44 WeakPolarHBondContact O-CA 3.34Å; Y32-A45 PolarHBondContact N-O 2.97Å; Y32-A45 PolarHBondContact O-N 3.33Å; Y32-N46 HydrophobicContact CD2-CB 4.19Å; Y32-E77 VanDerWaalsContact CE1-OE1 3.24Å; Y32-E77 WeakPolarHBondContact CE1-OE1 3.19Å; Y32-E77 PolarHBondContact OH-OE1 2.79Å |
| 33 | L | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 107.2 | 177.9 | -174.6 | 62.4 | 0 | 0 | 0 | 110.3 | L14 G16 K17 V19 V36 M42 L44 I72 | L14-L33 HydrophobicContact CB-CD2 3.73Å; G16-L33 PolarHBondContact N-O 3.37Å; K17-L33 PolarHBondContact O-N 3.19Å; V19-L33 HydrophobicContact CG1-CB 3.89Å; V19-L33 HydrophobicContact CG1-CD2 4.3Å; V19-L33 HydrophobicContact CG2-CB 3.86Å; V19-L33 HydrophobicContact CG2-CD1 4.48Å; L33-V36 HydrophobicContact CD1-CG2 3.68Å; L33-V36 HydrophobicContact CD2-CG2 3.79Å; L33-V36 HydrophobicContact CG-CG2 4.01Å; L33-M42 HydrophobicContact CD1-CB 4.12Å; L33-M42 HydrophobicContact CD1-CG 4.43Å; L33-L44 HydrophobicContact CB-CD2 4.36Å; L33-L44 HydrophobicContact CD1-CD2 3.76Å; L33-I72 HydrophobicContact CD2-CD1 4.19Å |
| 34 | V | 98.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -50.1 | -178.5 | -179 | 0 | 0 | 0 | 0 | 110.9 | T15 Y32 Q43 A45 | T15-V34 WeakPolarHBondContact CG2-O 3.44Å; Y32-V34 PolarHBondContact O-N 3.25Å; Y32-V34 VanDerWaalsContact O-N 3.14Å; V34-Q43 HydrophobicContact CB-CB 4.11Å; V34-Q43 HydrophobicContact CB-CG 3.9Å; V34-Q43 WeakPolarHBondContact CB-O 3.3Å; V34-Q43 HydrophobicContact CG1-CG 4.28Å; V34-Q43 HydrophobicContact CG2-CG 4.3Å; V34-Q43 PolarHBondContact N-O 2.87Å; V34-A45 HydrophobicContact CG2-CB 3.53Å |
| 35 | S | 97.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 155.8 | -177 | 70 | 0 | 0 | 0 | 0 | 111.8 | Q43 | S35-Q43 PolarHBondContact O-N 2.89Å; S35-Q43 WeakPolarHBondContact OG-CB 3.41Å; S35-Q43 PolarHBondContact OG-OE1 3.47Å |
| 36 | V | 96.9 | Very high | 97.1 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 133.3 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | L11 L33 M40 N41 M42 | L11-V36 HydrophobicContact CD1-CG1 4.21Å; L33-V36 HydrophobicContact CD1-CG2 3.68Å; L33-V36 HydrophobicContact CD2-CG2 3.79Å; L33-V36 HydrophobicContact CG-CG2 4.01Å; V36-M40 HydrophobicContact CG1-CB 4.37Å; V36-N41 WeakPolarHBondContact CA-O 3.36Å; V36-M42 HydrophobicContact CG1-CG 4.49Å; V36-M42 HydrophobicContact CG2-CG 4.21Å |
| 37 | D | 95 | Very high | 97.3 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | trans | -93 | -178.7 | 177.2 | 76.7 | 6.8 | 0 | 0 | 0 | 113.4 | Y39 M40 N41 | D37-Y39 PolarHBondContact O-N 3.07Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.25Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.46Å; D37-Y39 PolarHBondContact OD1-N 3.05Å; D37-M40 PolarHBondContact O-N 2.74Å; D37-M40 PolarHBondContact OD1-N 2.77Å; D37-N41 PolarHBondContact N-O 3.35Å; D37-N41 PolarHBondContact OD1-N 2.69Å; D37-N41 PolarHBondContact OD1-ND2 3.3Å; D37-N41 WeakPolarHBondContact OD2-CB 3.25Å; D37-N41 PolarHBondContact OD2-ND2 2.99Å | ||
| 38 | G | 93.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 51.3 Ų | 51.3 | 75% | 0.753 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 39 | Y | 95.2 | Very high | 97.4 | Very high | 182 Ų | 182 | 51.4 Ų | 51.4 | 71% | 0.714 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -3.1 | 175.2 | -67.5 | -75.9 | 0 | 0 | 0 | 112.5 | D37 N41 C66 | D37-Y39 PolarHBondContact O-N 3.07Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.25Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.46Å; D37-Y39 PolarHBondContact OD1-N 3.05Å; Y39-N41 VanDerWaalsContact C-N 3.34Å; Y39-C66 WeakPolarHBondContact O-CB 3.29Å; Y39-C66 PolarHBondContact O-SG 3.17Å |
| 40 | M | 95 | Very high | 97.4 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | trans | 67 | 30.2 | -171 | -49.4 | 178.2 | -179 | 0 | 0 | 113.7 | P7 L11 V36 D37 C66 | P7-M40 HydrophobicContact CB-CE 4.27Å; L11-M40 HydrophobicContact CD1-CE 4.19Å; L11-M40 HydrophobicContact CD1-CG 3.97Å; L11-M40 HydrophobicContact CD1-SD 4.09Å; V36-M40 HydrophobicContact CG1-CB 4.37Å; D37-M40 PolarHBondContact O-N 2.74Å; D37-M40 PolarHBondContact OD1-N 2.77Å; M40-C66 VanDerWaalsContact C-CB 3.48Å; M40-C66 HydrophobicContact CB-CB 4.15Å; M40-C66 VanDerWaalsContact O-CB 3.27Å; M40-C66 WeakPolarHBondContact O-CB 3.4Å | ||
| 41 | N | 97.1 | Very high | 97.3 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | trans | -70.1 | 138.5 | 161.2 | -57.6 | -52.6 | 0 | 0 | 0 | 108.1 | V36 D37 Y39 I64 R65 C66 | V36-N41 WeakPolarHBondContact CA-O 3.36Å; D37-N41 PolarHBondContact N-O 3.35Å; D37-N41 PolarHBondContact OD1-N 2.69Å; D37-N41 PolarHBondContact OD1-ND2 3.3Å; D37-N41 WeakPolarHBondContact OD2-CB 3.25Å; D37-N41 PolarHBondContact OD2-ND2 2.99Å; Y39-N41 VanDerWaalsContact C-N 3.34Å; N41-I64 WeakPolarHBondContact CA-O 3.24Å; N41-R65 VanDerWaalsContact OD1-CA 3.31Å; N41-R65 WeakPolarHBondContact OD1-CA 3.22Å; N41-R65 WeakPolarHBondContact OD1-CG 3.49Å; N41-C66 PolarHBondContact OD1-N 2.93Å | ||
| 42 | M | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.02 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.6 | -168.8 | -59.1 | 172.8 | -177.3 | 0 | 0 | 110.2 | L11 V21 L33 V36 L63 I64 V69 I72 | L11-M42 HydrophobicContact CD2-CE 4.32Å; V21-M42 HydrophobicContact CG1-SD 4.25Å; V21-M42 HydrophobicContact CG2-SD 3.9Å; L33-M42 HydrophobicContact CD1-CB 4.12Å; L33-M42 HydrophobicContact CD1-CG 4.43Å; V36-M42 HydrophobicContact CG1-CG 4.49Å; V36-M42 HydrophobicContact CG2-CG 4.21Å; M42-L63 CarbonylContact O-C 3.59Å; M42-L63 WeakPolarHBondContact O-CA 3.47Å; M42-I64 PolarHBondContact N-O 2.9Å; M42-I64 PolarHBondContact O-N 2.88Å; M42-V69 HydrophobicContact CE-CG1 4.4Å; M42-V69 HydrophobicContact SD-CG2 4.45Å; M42-I72 HydrophobicContact CE-CB 4.09Å; M42-I72 HydrophobicContact CE-CD1 3.99Å; M42-I72 HydrophobicContact CE-CG2 3.89Å; M42-I72 HydrophobicContact SD-CB 4.42Å; M42-I72 HydrophobicContact SD-CD1 3.76Å |
| 43 | Q | 98.5 | Very high | 96.9 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.1 | 169.3 | -174.6 | -175.6 | 17.5 | 0 | 0 | 108.7 | V34 S35 E61 V62 L63 | V34-Q43 HydrophobicContact CB-CB 4.11Å; V34-Q43 HydrophobicContact CB-CG 3.9Å; V34-Q43 WeakPolarHBondContact CB-O 3.3Å; V34-Q43 HydrophobicContact CG1-CG 4.28Å; V34-Q43 HydrophobicContact CG2-CG 4.3Å; V34-Q43 PolarHBondContact N-O 2.87Å; S35-Q43 PolarHBondContact O-N 2.89Å; S35-Q43 WeakPolarHBondContact OG-CB 3.41Å; S35-Q43 PolarHBondContact OG-OE1 3.47Å; Q43-E61 PolarHBondContact NE2-OE1 3.14Å; Q43-V62 WeakPolarHBondContact CA-O 3.43Å; Q43-L63 HydrophobicContact CB-CD1 4.43Å |
| 44 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 139.7 | 176.6 | -59.3 | -175.1 | 0 | 0 | 0 | 110.3 | V19 V21 Y32 L33 T47 E61 V62 I64 | V19-L44 HydrophobicContact CG2-CD2 3.59Å; V21-L44 HydrophobicContact CG2-CD1 4.14Å; Y32-L44 CarbonylContact O-C 3.56Å; Y32-L44 VanDerWaalsContact O-CA 3.3Å; Y32-L44 WeakPolarHBondContact O-CA 3.34Å; L33-L44 HydrophobicContact CB-CD2 4.36Å; L33-L44 HydrophobicContact CD1-CD2 3.76Å; L44-T47 HydrophobicContact CB-CG2 4.33Å; L44-T47 WeakPolarHBondContact CB-OG1 3.44Å; L44-T47 HydrophobicContact CD1-CG2 4.1Å; L44-T47 PolarHBondContact O-OG1 3.26Å; L44-E61 WeakPolarHBondContact O-CA 3.43Å; L44-V62 PolarHBondContact N-O 2.94Å; L44-V62 PolarHBondContact O-N 3.44Å; L44-I64 HydrophobicContact CD1-CD1 3.73Å; L44-I64 HydrophobicContact CG-CD1 4.44Å |
| 45 | A | 98.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 155.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G31 Y32 V34 T47 G60 | G31-A45 WeakPolarHBondContact CA-O 3.42Å; Y32-A45 PolarHBondContact N-O 2.97Å; Y32-A45 PolarHBondContact O-N 3.33Å; V34-A45 HydrophobicContact CG2-CB 3.53Å; A45-T47 PolarHBondContact O-N 2.96Å; A45-G60 CarbonylContact C-O 3.59Å |
| 46 | N | 97.5 | Very high | 96.6 | Very high | 118 Ų | 118 | 62.4 Ų | 62.4 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.1 | 44.2 | -176.2 | -57.6 | -28.3 | 0 | 0 | 0 | 112.5 | Y32 G60 | Y32-N46 HydrophobicContact CD2-CB 4.19Å; N46-G60 PolarHBondContact N-O 3.35Å |
| 47 | T | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 132.1 | -170.6 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | Y29 K30 L44 A45 L59 G60 V62 | Y29-T47 HydrophobicContact CD1-CG2 3.88Å; Y29-T47 HydrophobicContact CG-CG2 4.34Å; K30-T47 CarbonylContact O-C 3.58Å; K30-T47 VanDerWaalsContact O-CA 3.25Å; K30-T47 WeakPolarHBondContact O-CA 3.42Å; L44-T47 HydrophobicContact CB-CG2 4.33Å; L44-T47 WeakPolarHBondContact CB-OG1 3.44Å; L44-T47 HydrophobicContact CD1-CG2 4.1Å; L44-T47 PolarHBondContact O-OG1 3.26Å; A45-T47 PolarHBondContact O-N 2.96Å; T47-L59 PolarHBondContact O-N 2.85Å; T47-G60 VanDerWaalsContact CB-O 3.25Å; T47-G60 WeakPolarHBondContact CB-O 3.43Å; T47-G60 PolarHBondContact N-O 2.79Å; T47-G60 PolarHBondContact O-N 3.07Å; T47-G60 PolarHBondContact OG1-O 2.9Å; T47-V62 HydrophobicContact CG2-CB 4.21Å; T47-V62 HydrophobicContact CG2-CG2 3.91Å |
| 48 | E | 98.2 | Very high | 96.8 | Very high | 46 Ų | 46 | 64.6 Ų | 64.6 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.7 | 171.1 | -68.2 | 171.6 | 165.7 | 0 | 0 | 109.1 | Y29 K30 Y50 L55 G57 H58 | Y29-E48 CarbonylContact C-O 3.57Å; Y29-E48 VanDerWaalsContact CA-O 3.31Å; Y29-E48 WeakPolarHBondContact CA-O 3.43Å; K30-E48 HydrophobicContact CB-CB 4.39Å; K30-E48 PolarHBondContact N-O 2.64Å; K30-E48 PolarHBondContact O-N 2.92Å; E48-Y50 HydrophobicContact CB-CD2 4.32Å; E48-Y50 HydrophobicContact CB-CE2 3.68Å; E48-Y50 PolarHBondContact OE2-OH 2.85Å; E48-Y50 VanDerWaalsContact OE2-OH 3.09Å; E48-L55 HydrophobicContact CB-CD1 3.8Å; E48-L55 HydrophobicContact CG-CD1 4.13Å; E48-G57 WeakPolarHBondContact CA-O 3.42Å; E48-H58 WeakPolarHBondContact CG-ND1 3.28Å; E48-H58 IonicContact OE1-CE1 3Å; E48-H58 PolarHBondContact OE1-CE1 2.86Å; E48-H58 IonicContact OE1-ND1 2.71Å |
| 49 | E | 98.3 | Very high | 96.9 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.9 | 173.4 | -177.9 | 178.9 | -108 | 0 | 0 | 110.4 | E28 Y29 I51 S56 G57 L59 | E28-E49 CarbonylContact O-C 3.6Å; Y29-E49 HydrophobicContact CD1-CB 4.11Å; Y29-E49 HydrophobicContact CD1-CG 4.31Å; Y29-E49 HydrophobicContact CE1-CB 3.79Å; Y29-E49 HydrophobicContact CE1-CG 3.66Å; Y29-E49 WeakPolarHBondContact CE1-OE1 3.41Å; Y29-E49 PolarHBondContact OH-OE1 3.06Å; E49-I51 HydrophobicContact CG-CG1 4.33Å; E49-S56 WeakPolarHBondContact O-CB 3.33Å; E49-S56 PolarHBondContact O-N 3Å; E49-S56 PolarHBondContact OE2-OG 3.06Å; E49-G57 PolarHBondContact N-O 2.9Å; E49-G57 PolarHBondContact O-N 2.75Å; E49-L59 HydrophobicContact CB-CD1 4.02Å; E49-L59 HydrophobicContact CB-CG 4.36Å |
| 50 | Y | 98.2 | Very high | 97 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.7 | 175 | -68.4 | -100.5 | 0 | 0 | 0 | 110.2 | M20 E28 K30 E48 A54 L55 | M20-Y50 HydrophobicContact CE-CD2 4.49Å; E28-Y50 PolarHBondContact N-O 2.97Å; E28-Y50 PolarHBondContact O-N 2.76Å; K30-Y50 HydrophobicContact CB-CD2 4.27Å; K30-Y50 HydrophobicContact CB-CE2 3.74Å; K30-Y50 HydrophobicContact CD-CE2 4.2Å; E48-Y50 HydrophobicContact CB-CD2 4.32Å; E48-Y50 HydrophobicContact CB-CE2 3.68Å; E48-Y50 PolarHBondContact OE2-OH 2.85Å; E48-Y50 VanDerWaalsContact OE2-OH 3.09Å; Y50-A54 CarbonylContact C-O 3.57Å; Y50-A54 VanDerWaalsContact CA-O 3.23Å; Y50-A54 WeakPolarHBondContact CA-O 3.31Å; Y50-L55 HydrophobicContact CD1-CB 4.33Å; Y50-L55 HydrophobicContact CE1-CB 4.01Å; Y50-L55 HydrophobicContact CE1-CD1 4.33Å; Y50-L55 HydrophobicContact CE2-CD1 4.16Å |
| 51 | I | 96.9 | Very high | 97.1 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 35% | 0.349 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.5 | 175.3 | -57.3 | 177.2 | 0 | 0 | 0 | 107 | E49 G53 A54 | E49-I51 HydrophobicContact CG-CG1 4.33Å; I51-G53 PolarHBondContact O-N 2.99Å; I51-G53 VanDerWaalsContact O-N 3.11Å; I51-A54 PolarHBondContact N-O 2.84Å; I51-A54 PolarHBondContact O-N 3.09Å |
| 52 | D | 93.9 | Very high | 97.2 | Very high | 156 Ų | 156 | 60.3 Ų | 60.3 | 83% | 0.834 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 35.7 | -177.5 | -58.4 | -38.3 | 0 | 0 | 0 | 113.7 | A54 | D52-A54 VanDerWaalsContact C-N 3.26Å; D52-A54 PolarHBondContact O-N 3.34Å |
| 53 | G | 92.6 | Very high | 97.2 | Very high | 60 Ų | 60 | 66.5 Ų | 66.5 | 62% | 0.619 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -4.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I51 | I51-G53 PolarHBondContact O-N 2.99Å; I51-G53 VanDerWaalsContact O-N 3.11Å |
| 54 | A | 96.1 | Very high | 97.2 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 51% | 0.512 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 139.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y50 I51 D52 S56 | Y50-A54 CarbonylContact C-O 3.57Å; Y50-A54 VanDerWaalsContact CA-O 3.23Å; Y50-A54 WeakPolarHBondContact CA-O 3.31Å; I51-A54 PolarHBondContact N-O 2.84Å; I51-A54 PolarHBondContact O-N 3.09Å; D52-A54 VanDerWaalsContact C-N 3.26Å; D52-A54 PolarHBondContact O-N 3.34Å; A54-S56 PolarHBondContact O-N 2.72Å |
| 55 | L | 96.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 72.6 Ų | 72.6 | 45% | 0.445 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 116.5 | 171.8 | 178.9 | 66.2 | 0 | 0 | 0 | 109.3 | E48 Y50 | E48-L55 HydrophobicContact CB-CD1 3.8Å; E48-L55 HydrophobicContact CG-CD1 4.13Å; Y50-L55 HydrophobicContact CD1-CB 4.33Å; Y50-L55 HydrophobicContact CE1-CB 4.01Å; Y50-L55 HydrophobicContact CE1-CD1 4.33Å; Y50-L55 HydrophobicContact CE2-CD1 4.16Å |
| 56 | S | 96.7 | Very high | 97.1 | Very high | 69 Ų | 69 | 73.1 Ų | 73.1 | 48% | 0.483 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -37.4 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | E49 A54 | E49-S56 WeakPolarHBondContact O-CB 3.33Å; E49-S56 PolarHBondContact O-N 3Å; E49-S56 PolarHBondContact OE2-OG 3.06Å; A54-S56 PolarHBondContact O-N 2.72Å |
| 57 | G | 96.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 71 Ų | 71 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | 173.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E48 E49 | E48-G57 WeakPolarHBondContact CA-O 3.42Å; E49-G57 PolarHBondContact N-O 2.9Å; E49-G57 PolarHBondContact O-N 2.75Å |
| 58 | H | 97.8 | Very high | 97.1 | Very high | 133 Ų | 133 | 73.5 Ų | 73.5 | 62% | 0.616 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.1 | 175.1 | -59.3 | -87.3 | 0 | 0 | 0 | 109.7 | E48 | E48-H58 WeakPolarHBondContact CG-ND1 3.28Å; E48-H58 IonicContact OE1-CE1 3Å; E48-H58 PolarHBondContact OE1-CE1 2.86Å; E48-H58 IonicContact OE1-ND1 2.71Å |
| 59 | L | 97.1 | Very high | 97.1 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -17.9 | -176.8 | -59.4 | -178 | 0 | 0 | 0 | 113.1 | Y29 T47 E49 E61 V62 | Y29-L59 HydrophobicContact CD1-CD1 4Å; Y29-L59 HydrophobicContact CE1-CD1 3.51Å; T47-L59 PolarHBondContact O-N 2.85Å; E49-L59 HydrophobicContact CB-CD1 4.02Å; E49-L59 HydrophobicContact CB-CG 4.36Å; L59-E61 PolarHBondContact O-N 2.83Å; L59-V62 HydrophobicContact CB-CG2 3.59Å; L59-V62 HydrophobicContact CD1-CG2 4.02Å; L59-V62 HydrophobicContact CG-CG2 4.49Å |
| 60 | G | 96.8 | Very high | 97 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 30% | 0.299 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.7 | -114.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A45 N46 T47 | A45-G60 CarbonylContact C-O 3.59Å; N46-G60 PolarHBondContact N-O 3.35Å; T47-G60 VanDerWaalsContact CB-O 3.25Å; T47-G60 WeakPolarHBondContact CB-O 3.43Å; T47-G60 PolarHBondContact N-O 2.79Å; T47-G60 PolarHBondContact O-N 3.07Å; T47-G60 PolarHBondContact OG1-O 2.9Å |
| 61 | E | 97.7 | Very high | 97 | Very high | 140 Ų | 140 | 78.4 Ų | 78.4 | 65% | 0.654 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 125.2 | -179.2 | -168.4 | 174.7 | 178.1 | 0 | 0 | 111.5 | Q43 L44 L59 | Q43-E61 PolarHBondContact NE2-OE1 3.14Å; L44-E61 WeakPolarHBondContact O-CA 3.43Å; L59-E61 PolarHBondContact O-N 2.83Å |
| 62 | V | 98.1 | Very high | 97 | Very high | 28 Ų | 28 | 76.4 Ų | 76.4 | 17% | 0.17 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137 | -176.4 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | Q43 L44 T47 L59 I64 | Q43-V62 WeakPolarHBondContact CA-O 3.43Å; L44-V62 PolarHBondContact N-O 2.94Å; L44-V62 PolarHBondContact O-N 3.44Å; T47-V62 HydrophobicContact CG2-CB 4.21Å; T47-V62 HydrophobicContact CG2-CG2 3.91Å; L59-V62 HydrophobicContact CB-CG2 3.59Å; L59-V62 HydrophobicContact CD1-CG2 4.02Å; L59-V62 HydrophobicContact CG-CG2 4.49Å; V62-I64 HydrophobicContact CG1-CG1 3.85Å |
| 63 | L | 98.1 | Very high | 97.1 | Very high | 135 Ų | 135 | 74.2 Ų | 74.2 | 71% | 0.707 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.9 | 168.1 | -178.3 | 70.2 | 0 | 0 | 0 | 109.7 | M42 Q43 | M42-L63 CarbonylContact O-C 3.59Å; M42-L63 WeakPolarHBondContact O-CA 3.47Å; Q43-L63 HydrophobicContact CB-CD1 4.43Å |
| 64 | I | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.051 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.5 | 178.1 | -54.5 | 179.8 | 0 | 0 | 0 | 109.5 | V21 L23 Y29 N41 M42 L44 V62 V69 | V21-I64 HydrophobicContact CB-CD1 4.08Å; V21-I64 HydrophobicContact CG1-CD1 3.96Å; V21-I64 HydrophobicContact CG2-CD1 4.45Å; L23-I64 HydrophobicContact CD2-CG2 3.75Å; Y29-I64 HydrophobicContact CD2-CD1 3.98Å; Y29-I64 HydrophobicContact CG-CD1 4.06Å; N41-I64 WeakPolarHBondContact CA-O 3.24Å; M42-I64 PolarHBondContact N-O 2.9Å; M42-I64 PolarHBondContact O-N 2.88Å; L44-I64 HydrophobicContact CD1-CD1 3.73Å; L44-I64 HydrophobicContact CG-CD1 4.44Å; V62-I64 HydrophobicContact CG1-CG1 3.85Å; I64-V69 HydrophobicContact CG2-CG2 3.67Å |
| 65 | R | 98.3 | Very high | 97.2 | Very high | 171 Ų | 171 | 71.5 Ų | 71.5 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | trans | -76.2 | 133.1 | 174.6 | -162.8 | -178.4 | 165.2 | 131.8 | 1.6 | 111.1 | N41 N67 N68 | N41-R65 VanDerWaalsContact OD1-CA 3.31Å; N41-R65 WeakPolarHBondContact OD1-CA 3.22Å; N41-R65 WeakPolarHBondContact OD1-CG 3.49Å; R65-N67 VanDerWaalsContact C-N 3.28Å; R65-N67 WeakPolarHBondContact CD-OD1 3.4Å; R65-N67 WeakPolarHBondContact CG-OD1 3.41Å; R65-N67 PolarHBondContact NE-OD1 2.82Å; R65-N67 PolarHBondContact O-N 2.77Å; R65-N67 VanDerWaalsContact O-N 3.14Å; R65-N68 PolarHBondContact O-N 3.45Å | ||
| 66 | C | 97.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 76.1 Ų | 76.1 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -55.4 | -37.3 | -171.7 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | Y39 M40 N41 N68 V69 | Y39-C66 WeakPolarHBondContact O-CB 3.29Å; Y39-C66 PolarHBondContact O-SG 3.17Å; M40-C66 VanDerWaalsContact C-CB 3.48Å; M40-C66 HydrophobicContact CB-CB 4.15Å; M40-C66 VanDerWaalsContact O-CB 3.27Å; M40-C66 WeakPolarHBondContact O-CB 3.4Å; N41-C66 PolarHBondContact OD1-N 2.93Å; C66-N68 PolarHBondContact O-N 3.19Å; C66-N68 VanDerWaalsContact O-N 3.07Å; C66-V69 WeakPolarHBondContact O-CB 3.42Å; C66-V69 PolarHBondContact O-N 3.37Å |
| 67 | N | 97.9 | Very high | 95.6 | Very high | 73 Ų | 73 | 78.4 Ų | 78.4 | 39% | 0.39 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -67.8 | -12.1 | -176.8 | 66.6 | -82.4 | 0 | 0 | 0 | 113.3 | K24 R65 | K24-N67 WeakPolarHBondContact CD-O 3.34Å; K24-N67 VanDerWaalsContact CE-O 3.22Å; K24-N67 WeakPolarHBondContact CE-O 3.23Å; K24-N67 PolarHBondContact NZ-O 3.17Å; R65-N67 VanDerWaalsContact C-N 3.28Å; R65-N67 WeakPolarHBondContact CD-OD1 3.4Å; R65-N67 WeakPolarHBondContact CG-OD1 3.41Å; R65-N67 PolarHBondContact NE-OD1 2.82Å; R65-N67 PolarHBondContact O-N 2.77Å; R65-N67 VanDerWaalsContact O-N 3.14Å |
| 68 | N | 97.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 86.2 Ų | 86.2 | 29% | 0.289 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -94.7 | -13.9 | 174.6 | -64.1 | -37.8 | 0 | 0 | 0 | 112.7 | L23 K24 R65 C66 | L23-N68 CarbonylContact C-O 3.48Å; L23-N68 VanDerWaalsContact CA-O 3.29Å; L23-N68 WeakPolarHBondContact CA-O 3.47Å; L23-N68 HydrophobicContact CD2-CB 4.35Å; K24-N68 PolarHBondContact N-O 2.78Å; R65-N68 PolarHBondContact O-N 3.45Å; C66-N68 PolarHBondContact O-N 3.19Å; C66-N68 VanDerWaalsContact O-N 3.07Å |
| 69 | V | 97.8 | Very high | 92.3 | Very high | 23 Ų | 23 | 88.3 Ų | 88.3 | 14% | 0.139 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.3 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | V21 K24 M42 I64 C66 | V21-V69 HydrophobicContact CG1-CB 4.49Å; V21-V69 HydrophobicContact CG1-CG1 3.91Å; V21-V69 HydrophobicContact CG1-CG2 3.94Å; K24-V69 WeakPolarHBondContact CE-O 3.29Å; M42-V69 HydrophobicContact CE-CG1 4.4Å; M42-V69 HydrophobicContact SD-CG2 4.45Å; I64-V69 HydrophobicContact CG2-CG2 3.67Å; C66-V69 WeakPolarHBondContact O-CB 3.42Å; C66-V69 PolarHBondContact O-N 3.37Å |
| 70 | L | 97.8 | Very high | 90.4 | Very high | 106 Ų | 106 | 93.3 Ų | 93.3 | 56% | 0.555 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -50.7 | 168.7 | -176.2 | 66.9 | 0 | 0 | 0 | 110.1 | K22 K24 | K22-L70 HydrophobicContact CB-CB 4.41Å; K22-L70 HydrophobicContact CG-CB 4.24Å; K22-L70 HydrophobicContact CG-CD2 3.93Å; K22-L70 WeakPolarHBondContact O-CB 3.4Å; K22-L70 PolarHBondContact O-N 3.14Å; K24-L70 HydrophobicContact CG-CB 4.26Å; K24-L70 HydrophobicContact CG-CD1 4.46Å |
| 71 | Y | 96.9 | Very high | 88.5 | Confident | 100 Ų | 100 | 99.2 Ų | 99.2 | 39% | 0.392 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 165.1 | 172.5 | 66.1 | -100.4 | 0 | 0 | 0 | 111.7 | K22 R73 | K22-Y71 HydrophobicContact CB-CD1 3.76Å; K22-Y71 HydrophobicContact CB-CD2 4.15Å; K22-Y71 HydrophobicContact CB-CE1 3.41Å; K22-Y71 VanDerWaalsContact CB-CE1 3.41Å; K22-Y71 HydrophobicContact CB-CE2 3.82Å; K22-Y71 HydrophobicContact CB-CG 4.11Å; K22-Y71 VanDerWaalsContact CB-CZ 3.43Å; K22-Y71 HydrophobicContact CG-CD1 4.17Å; K22-Y71 HydrophobicContact CG-CE1 3.59Å; K22-Y71 PolarHBondContact N-O 2.82Å; K22-Y71 PolarHBondContact O-N 3.3Å; Y71-R73 HydrophobicContact CE2-CG 4.43Å |
| 72 | I | 97.7 | Very high | 86.4 | Confident | 27 Ų | 27 | 95.7 Ų | 95.7 | 14% | 0.138 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 142 | 169.7 | 179.2 | 172.3 | 0 | 0 | 0 | 108.9 | F10 L11 L14 V19 M20 V21 L33 M42 | F10-I72 HydrophobicContact CE1-CG2 4.42Å; L11-I72 HydrophobicContact CD2-CD1 4.26Å; L11-I72 HydrophobicContact CD2-CG2 3.72Å; L14-I72 HydrophobicContact CD1-CD1 4.19Å; L14-I72 HydrophobicContact CD1-CG1 4.24Å; V19-I72 HydrophobicContact CB-CD1 4.08Å; V19-I72 HydrophobicContact CB-CG1 4.15Å; V19-I72 HydrophobicContact CG1-CD1 4.17Å; V19-I72 HydrophobicContact CG2-CD1 4.13Å; M20-I72 WeakPolarHBondContact O-CA 3.26Å; V21-I72 HydrophobicContact CG2-CB 4.33Å; V21-I72 HydrophobicContact CG2-CD1 4.08Å; V21-I72 HydrophobicContact CG2-CG1 4.01Å; L33-I72 HydrophobicContact CD2-CD1 4.19Å; M42-I72 HydrophobicContact CE-CB 4.09Å; M42-I72 HydrophobicContact CE-CD1 3.99Å; M42-I72 HydrophobicContact CE-CG2 3.89Å; M42-I72 HydrophobicContact SD-CB 4.42Å; M42-I72 HydrophobicContact SD-CD1 3.76Å |
| 73 | R | 96.4 | Very high | 84.3 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 42% | 0.415 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153.4 | 171.8 | 65.6 | 178 | -172.9 | 87.3 | -6 | 111 | V19 M20 Y71 | V19-R73 CarbonylContact C-O 3.58Å; V19-R73 VanDerWaalsContact CA-O 3.28Å; V19-R73 WeakPolarHBondContact CA-O 3.08Å; V19-R73 WeakPolarHBondContact CB-O 3.4Å; M20-R73 HydrophobicContact CB-CG 3.98Å; M20-R73 PolarHBondContact N-O 3.12Å; M20-R73 PolarHBondContact O-N 2.76Å; M20-R73 PolarHBondContact SD-NH2 2.96Å; Y71-R73 HydrophobicContact CE2-CG 4.43Å |
| 74 | G | 96.5 | Very high | 82.1 | Confident | 33 Ų | 33 | 103.5 Ų | 103.5 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 150.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 75 | V | 94.4 | Very high | 80.1 | Confident | 31 Ų | 31 | 112.8 Ų | 112.8 | 19% | 0.188 | 55% | 0.551 | C | S | . | * | trans | -112.6 | 131.3 | 167.4 | -179.8 | 0 | 0 | 0 | 0 | 106.2 | P18 M20 | P18-V75 HydrophobicContact CB-CB 4.32Å; P18-V75 PolarHBondContact O-N 3.39Å; M20-V75 HydrophobicContact CB-CG2 3.76Å | ||
| 76 | E | 85.2 | Confident | 78 | Confident | 183 Ų | 183 | 117.3 Ų | 117.3 | 86% | 0.855 | 58% | 0.58 | S | S | * | * | trans | -76 | 128.3 | 170.5 | -68.8 | 174.1 | -177.8 | 0 | 0 | 107.2 | E78 | E76-E78 PolarHBondContact O-N 3Š| ||
| 77 | E | 72.9 | Confident | 77.1 | Confident | 116 Ų | 116 | 121.3 Ų | 121.3 | 54% | 0.542 | 60% | 0.596 | S | S | . | * | trans | -72.1 | 118.7 | 167.4 | -65.1 | -176.6 | 156.9 | 0 | 0 | 106 | P18 Y32 E79 | P18-E77 HydrophobicContact CG-CG 3.46Å; P18-E77 VanDerWaalsContact CG-CG 3.46Å; P18-E77 WeakPolarHBondContact CG-OE1 2.94Å; Y32-E77 VanDerWaalsContact CE1-OE1 3.24Å; Y32-E77 WeakPolarHBondContact CE1-OE1 3.19Å; Y32-E77 PolarHBondContact OH-OE1 2.79Å; E77-E79 PolarHBondContact O-N 2.77Å; E77-E79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | E | 66.7 | Low | 76 | Confident | 187 Ų | 187 | 123.8 Ų | 123.8 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | trans | -62.6 | 115.3 | 162.9 | -70.7 | -179.9 | 177.4 | 0 | 0 | 105.5 | E76 E80 | E76-E78 PolarHBondContact O-N 3Å; E78-E80 PolarHBondContact O-N 3.03Å | ||
| 79 | E | 58.2 | Low | 74.8 | Confident | 177 Ų | 177 | 127.7 Ų | 127.7 | 83% | 0.827 | 62% | 0.624 | S | S | * | * | trans | -56.7 | 112.3 | 167.3 | -69.9 | -175.9 | 170.9 | 0 | 0 | 105.4 | E77 D81 | E77-E79 PolarHBondContact O-N 2.77Å; E77-E79 VanDerWaalsContact O-N 3.14Å; E79-D81 VanDerWaalsContact C-N 3.28Å; E79-D81 PolarHBondContact O-N 3.16Å | ||
| 80 | E | 58.6 | Low | 73.4 | Confident | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 65% | 0.653 | S | S | * | * | trans | -57.4 | 103.7 | 166.5 | -81.2 | -175.1 | 161.2 | 0 | 0 | 105.3 | E78 G82 | E78-E80 PolarHBondContact O-N 3.03Å; E80-G82 PolarHBondContact O-N 2.71Å | ||
| 81 | D | 56.9 | Low | 71.9 | Confident | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | -51 | 98.4 | 171.2 | -85.6 | -37.7 | 0 | 0 | 0 | 106.1 | E79 E83 | E79-D81 VanDerWaalsContact C-N 3.28Å; E79-D81 PolarHBondContact O-N 3.16Å; D81-E83 VanDerWaalsContact C-N 3.29Å; D81-E83 PolarHBondContact O-N 2.69Å | ||
| 82 | G | 54 | Low | 70.2 | Confident | 66 Ų | 66 | 137.9 Ų | 137.9 | 68% | 0.68 | 68% | 0.676 | S | S | * | * | trans | -61.3 | 97.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | E80 M84 | E80-G82 PolarHBondContact O-N 2.71Å; G82-M84 PolarHBondContact O-N 3.11Å | ||
| 83 | E | 53.9 | Low | 68.2 | Low | 141 Ų | 141 | 145.9 Ų | 145.9 | 66% | 0.659 | 72% | 0.715 | S | S | * | * | trans | -61.9 | 87.2 | 160.4 | -78.8 | -167.9 | -179.1 | 0 | 0 | 106.2 | D81 R85 | D81-E83 VanDerWaalsContact C-N 3.29Å; D81-E83 PolarHBondContact O-N 2.69Å; E83-R85 HydrophobicContact CB-CG 4.46Å; E83-R85 PolarHBondContact O-N 2.97Å; E83-R85 IonicContact OE2-CZ 3.34Å; E83-R85 VanDerWaalsContact OE2-CZ 3.27Å; E83-R85 IonicContact OE2-NE 3.27Å; E83-R85 PolarHBondContact OE2-NE 2.95Å; E83-R85 IonicContact OE2-NH2 3.66Å; E83-R85 PolarHBondContact OE2-NH2 3.38Å | ||
| 84 | M | 51.5 | Low | 66.1 | Low | 185 Ų | 185 | 148.6 Ų | 148.6 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -57.8 | 91.9 | 156.7 | -94.2 | -173.6 | -92.6 | 0 | 0 | 106.4 | G82 | G82-M84 PolarHBondContact O-N 3.11Š| ||
| 85 | R | 55.8 | Low | 63.5 | Low | 206 Ų | 206 | 158.3 Ų | 158.3 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -83.6 | 110.6 | 162.2 | -67.9 | -174.1 | -179.1 | -179.2 | 0.1 | 106.7 | E83 | E83-R85 HydrophobicContact CB-CG 4.46Å; E83-R85 PolarHBondContact O-N 2.97Å; E83-R85 IonicContact OE2-CZ 3.34Å; E83-R85 VanDerWaalsContact OE2-CZ 3.27Å; E83-R85 IonicContact OE2-NE 3.27Å; E83-R85 PolarHBondContact OE2-NE 2.95Å; E83-R85 IonicContact OE2-NH2 3.66Å; E83-R85 PolarHBondContact OE2-NH2 3.38Å | ||
| 86 | E | 54.6 | Low | 60.7 | Low | 265 Ų | 265 | 169.8 Ų | 169.8 | 100% | 1.238 | 82% | 0.824 | S | S | * | * | trans | -50.9 | 0 | 168.8 | -66 | -176.3 | 153.9 | 0 | 0 | 112.7 |
Retrieved 86 of 86 residues in 136.1 ms
(Link to these results)