| 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 | 65.1 | Low | 87.1 | Confident | 167 Ų | 167 | 68.5 Ų | 68.5 | 82% | 0.823 | 38% | 0.382 | S | S | * | . | 0 | 122.1 | 0 | -141.4 | 170.3 | -158.7 | 0 | 0 | 106.8 | P10 Y12 | M1-P10 HydrophobicContact SD-CB 4.47Å; M1-Y12 HydrophobicContact CE-CD1 4.04Å; M1-Y12 HydrophobicContact CE-CE1 4.12Å | |||
| 2 | P | 83.7 | Confident | 87.3 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 139.2 | -174.4 | 29.5 | -32.5 | 0 | 0 | 0 | 111.3 | V11 D23 | P2-V11 PolarHBondContact O-N 2.91Å; P2-D23 HydrophobicContact CB-CB 3.8Å; P2-D23 WeakPolarHBondContact CB-OD2 3.45Å; P2-D23 HydrophobicContact CG-CB 3.55Å; P2-D23 WeakPolarHBondContact CG-OD2 3.34Å |
| 3 | N | 90.4 | Very high | 87.3 | Confident | 96 Ų | 96 | 81.2 Ų | 81.2 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 138.1 | 175.9 | -63 | 81.1 | 0 | 0 | 0 | 109.5 | P5 N8 K9 | N3-P5 WeakPolarHBondContact O-CD 3.31Å; N3-N8 PolarHBondContact ND2-O 3.26Å; N3-K9 WeakPolarHBondContact CA-O 3.43Å |
| 4 | C | 91.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 123.5 | 174.8 | 178 | 0 | 0 | 0 | 0 | 109.3 | A6 C7 N8 K9 V11 D23 H25 | C4-A6 PolarHBondContact O-N 3.22Å; C4-C7 PolarHBondContact O-N 3.43Å; C4-N8 WeakPolarHBondContact O-CA 3.38Å; C4-N8 PolarHBondContact O-N 3.08Å; C4-K9 PolarHBondContact N-O 2.85Å; C4-V11 HydrophobicContact CB-CG2 3.59Å; C4-D23 WeakPolarHBondContact CA-O 3.17Å; C4-H25 WeakPolarHBondContact CB-CE1 3.37Å; C4-H25 WeakPolarHBondContact CB-ND1 3.46Å |
| 5 | P | 85.3 | Confident | 87.4 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 27% | 0.266 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.9 | -180 | 26.4 | -35.6 | 0 | 0 | 0 | 113.4 | N3 D23 W24 | N3-P5 WeakPolarHBondContact O-CD 3.31Å; P5-D23 WeakPolarHBondContact CD-O 3.4Å; P5-W24 HydrophobicContact CB-CH2 4.45Å; P5-W24 HydrophobicContact CB-CZ2 4.47Å; P5-W24 HydrophobicContact CG-CD2 4.07Å; P5-W24 HydrophobicContact CG-CE3 4.25Å; P5-W24 HydrophobicContact CG-CH2 3.56Å; P5-W24 HydrophobicContact CG-CZ2 3.31Å; P5-W24 HydrophobicContact CG-CZ3 4.02Å |
| 6 | A | 86.4 | Confident | 87.4 | Confident | 53 Ų | 53 | 83.9 Ų | 83.9 | 44% | 0.438 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C4 W24 C28 | C4-A6 PolarHBondContact O-N 3.22Å; A6-W24 HydrophobicContact CB-CE3 4.11Å; A6-W24 HydrophobicContact CB-CH2 4.38Å; A6-W24 HydrophobicContact CB-CZ3 3.47Å; A6-W24 VanDerWaalsContact CB-CZ3 3.47Å; A6-C28 HydrophobicContact CB-CB 4.24Å |
| 7 | C | 90.1 | Very high | 87.4 | Confident | 43 Ų | 43 | 82.5 Ų | 82.5 | 29% | 0.291 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -2.2 | -175.4 | 69.5 | 0 | 0 | 0 | 0 | 114.2 | C4 K9 H25 | C4-C7 PolarHBondContact O-N 3.43Å; C7-K9 HydrophobicContact CB-CD 4.31Å; C7-K9 PolarHBondContact O-N 2.88Å; C7-H25 PolarHBondContact SG-CE1 3.29Å; C7-H25 PolarHBondContact SG-ND1 2.82Å |
| 8 | N | 89.2 | Confident | 87.2 | Confident | 123 Ų | 123 | 82.8 Ų | 82.8 | 66% | 0.658 | 44% | 0.436 | S | S | * | . | trans | 58 | 11 | -176.3 | -66.4 | -84.4 | 0 | 0 | 0 | 115.3 | N3 C4 | N3-N8 PolarHBondContact ND2-O 3.26Å; C4-N8 WeakPolarHBondContact O-CA 3.38Å; C4-N8 PolarHBondContact O-N 3.08Å | ||
| 9 | K | 92.1 | Very high | 86.8 | Confident | 129 Ų | 129 | 78.9 Ų | 78.9 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | trans | -88.3 | 151.6 | 177.8 | -65.1 | 164.3 | 67.3 | -151.9 | 0 | 111.4 | N3 C4 C7 V11 H25 | N3-K9 WeakPolarHBondContact CA-O 3.43Å; C4-K9 PolarHBondContact N-O 2.85Å; C7-K9 HydrophobicContact CB-CD 4.31Å; C7-K9 PolarHBondContact O-N 2.88Å; K9-V11 PolarHBondContact O-N 2.86Å; K9-H25 PolarHBondContact O-CE1 3.18Å | ||
| 10 | P | 92 | Very high | 86.2 | Confident | 47 Ų | 47 | 80.8 Ų | 80.8 | 31% | 0.305 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -61.3 | 136.6 | 175.7 | 26 | -34.6 | 0 | 0 | 0 | 111 | M1 Y12 H25 | M1-P10 HydrophobicContact SD-CB 4.47Å; P10-Y12 HydrophobicContact CG-CE2 4.32Å; P10-H25 PolarHBondContact O-NE2 2.97Å |
| 11 | V | 91.9 | Very high | 86.1 | Confident | 4 Ų | 4 | 80.2 Ų | 80.2 | 2% | 0.024 | 44% | 0.438 | C | S | . | . | trans | -93.3 | 113.2 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | P2 C4 K9 R16 D23 W24 | P2-V11 PolarHBondContact O-N 2.91Å; C4-V11 HydrophobicContact CB-CG2 3.59Å; K9-V11 PolarHBondContact O-N 2.86Å; V11-R16 VanDerWaalsContact CG1-CA 3.43Å; V11-R16 HydrophobicContact CG1-CB 3.76Å; V11-R16 HydrophobicContact CG1-CG 3.93Å; V11-D23 HydrophobicContact CB-CB 4.08Å; V11-D23 HydrophobicContact CG1-CB 4.21Å; V11-D23 HydrophobicContact CG2-CB 4.16Å; V11-W24 WeakPolarHBondContact CG1-O 3.39Å | ||
| 12 | Y | 90.4 | Very high | 87.1 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 53% | 0.525 | 42% | 0.42 | S | S | . | . | trans | -80.4 | 150.5 | 175.8 | -64.1 | -81.8 | 0 | 0 | 0 | 111.1 | M1 P10 A14 E15 R16 | M1-Y12 HydrophobicContact CE-CD1 4.04Å; M1-Y12 HydrophobicContact CE-CE1 4.12Å; P10-Y12 HydrophobicContact CG-CE2 4.32Å; Y12-A14 PolarHBondContact O-N 2.71Å; Y12-E15 PolarHBondContact O-N 3.08Å; Y12-R16 WeakPolarHBondContact O-CB 3.05Å; Y12-R16 PolarHBondContact O-N 3.15Å | ||
| 13 | F | 87.2 | Confident | 87.3 | Confident | 169 Ų | 169 | 75.9 Ų | 75.9 | 74% | 0.741 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -37.1 | -179.4 | -175.1 | -96.8 | 0 | 0 | 0 | 113.7 | E15 R16 | F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.39Å; F13-R16 PolarHBondContact O-N 3.01Å |
| 14 | A | 89.2 | Confident | 87.3 | Confident | 96 Ų | 96 | 71.3 Ų | 71.3 | 79% | 0.793 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y12 | Y12-A14 PolarHBondContact O-N 2.71Š|
| 15 | E | 86.1 | Confident | 87.4 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 2.8 | -179.2 | -61.3 | -163.1 | 92.4 | 0 | 0 | 113 | Y12 F13 K17 H25 S26 | Y12-E15 PolarHBondContact O-N 3.08Å; F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.39Å; E15-K17 PolarHBondContact O-N 2.95Å; E15-K17 VanDerWaalsContact O-N 3.15Å; E15-H25 CarbonylContact O-C 3.59Å; E15-H25 WeakPolarHBondContact O-CA 3.36Å; E15-S26 PolarHBondContact O-N 3.16Å; E15-S26 PolarHBondContact O-OG 3.35Å |
| 16 | R | 87.2 | Confident | 87.5 | Confident | 111 Ų | 111 | 71.6 Ų | 71.6 | 42% | 0.419 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 112 | -173.3 | -172.5 | 178.6 | 71.5 | 151 | -1.9 | 111.1 | V11 Y12 F13 V18 D23 | V11-R16 VanDerWaalsContact CG1-CA 3.43Å; V11-R16 HydrophobicContact CG1-CB 3.76Å; V11-R16 HydrophobicContact CG1-CG 3.93Å; Y12-R16 WeakPolarHBondContact O-CB 3.05Å; Y12-R16 PolarHBondContact O-N 3.15Å; F13-R16 PolarHBondContact O-N 3.01Å; R16-V18 HydrophobicContact CG-CG2 4.43Å; R16-D23 WeakPolarHBondContact CD-OD1 3.23Å; R16-D23 HydrophobicContact CG-CB 4.17Å; R16-D23 WeakPolarHBondContact CG-OD1 3.22Å |
| 17 | K | 87.4 | Confident | 87.6 | Confident | 61 Ų | 61 | 72.2 Ų | 72.2 | 27% | 0.265 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.5 | 168.2 | -58.2 | -45.7 | -167.5 | -176.1 | 0 | 108.6 | E15 S19 D23 W24 S26 L29 P42 | E15-K17 PolarHBondContact O-N 2.95Å; E15-K17 VanDerWaalsContact O-N 3.15Å; K17-S19 PolarHBondContact O-N 2.96Å; K17-D23 WeakPolarHBondContact O-CA 3.2Å; K17-W24 HydrophobicContact CB-CB 4.31Å; K17-W24 PolarHBondContact N-O 2.79Å; K17-W24 PolarHBondContact O-N 3.48Å; K17-S26 VanDerWaalsContact CE-OG 3.31Å; K17-S26 WeakPolarHBondContact CE-OG 3.38Å; K17-L29 HydrophobicContact CB-CD2 4.14Å; K17-L29 HydrophobicContact CG-CD2 4.26Å; K17-P42 HydrophobicContact CB-CB 4.12Å; K17-P42 HydrophobicContact CD-CB 3.73Å; K17-P42 HydrophobicContact CD-CG 3.72Å; K17-P42 HydrophobicContact CG-CB 4.06Å; K17-P42 HydrophobicContact CG-CG 4.39Å |
| 18 | V | 83.6 | Confident | 87.6 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 53% | 0.527 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119 | 172.9 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | R16 K22 | R16-V18 HydrophobicContact CG-CG2 4.43Å; V18-K22 WeakPolarHBondContact CA-O 3.21Å |
| 19 | S | 80.2 | Confident | 87.7 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 129.9 | 177 | -162.6 | 0 | 0 | 0 | 0 | 109.9 | K17 G21 K22 H45 | K17-S19 PolarHBondContact O-N 2.96Å; S19-G21 PolarHBondContact O-N 3.16Å; S19-K22 PolarHBondContact N-O 2.81Å; S19-K22 PolarHBondContact O-N 3.44Å; S19-K22 VanDerWaalsContact O-O 3.07Å; S19-H45 VanDerWaalsContact CB-NE2 3.31Å; S19-H45 WeakPolarHBondContact CB-NE2 3.42Å; S19-H45 PolarHBondContact OG-CE1 2.82Å; S19-H45 PolarHBondContact OG-NE2 2.93Å |
| 20 | M | 75 | Confident | 87.7 | Confident | 115 Ų | 115 | 66.6 Ų | 66.6 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 31.5 | 178.4 | -64.6 | 140.4 | 108.6 | 0 | 0 | 113.7 | E47 | M20-E47 HydrophobicContact CE-CB 3.92Å; M20-E47 HydrophobicContact SD-CB 3.72Å; M20-E47 PolarHBondContact SD-N 3.26Å |
| 21 | G | 83.9 | Confident | 87.7 | Confident | 70 Ų | 70 | 64.4 Ų | 64.4 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 5.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | S19 | S19-G21 PolarHBondContact O-N 3.16Š|
| 22 | K | 86 | Confident | 87.7 | Confident | 101 Ų | 101 | 66 Ų | 66 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 155 | 176.7 | -70.9 | 157.8 | -177.7 | -79.4 | 0 | 111.3 | V18 S19 E47 | V18-K22 WeakPolarHBondContact CA-O 3.21Å; S19-K22 PolarHBondContact N-O 2.81Å; S19-K22 PolarHBondContact O-N 3.44Å; S19-K22 VanDerWaalsContact O-O 3.07Å; K22-E47 VanDerWaalsContact CD-OE2 3.32Å; K22-E47 WeakPolarHBondContact CD-OE2 3.23Å |
| 23 | D | 89.3 | Confident | 87.8 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.3 | 177.9 | -60.1 | -97.2 | 0 | 0 | 0 | 111.5 | P2 C4 P5 V11 R16 K17 | P2-D23 HydrophobicContact CB-CB 3.8Å; P2-D23 WeakPolarHBondContact CB-OD2 3.45Å; P2-D23 HydrophobicContact CG-CB 3.55Å; P2-D23 WeakPolarHBondContact CG-OD2 3.34Å; C4-D23 WeakPolarHBondContact CA-O 3.17Å; P5-D23 WeakPolarHBondContact CD-O 3.4Å; V11-D23 HydrophobicContact CB-CB 4.08Å; V11-D23 HydrophobicContact CG1-CB 4.21Å; V11-D23 HydrophobicContact CG2-CB 4.16Å; R16-D23 WeakPolarHBondContact CD-OD1 3.23Å; R16-D23 HydrophobicContact CG-CB 4.17Å; R16-D23 WeakPolarHBondContact CG-OD1 3.22Å; K17-D23 WeakPolarHBondContact O-CA 3.2Å |
| 24 | W | 90.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.8 | -177.1 | -65.8 | 82.8 | 0 | 0 | 0 | 110.6 | P5 A6 V11 K17 L29 E47 G50 P52 | P5-W24 HydrophobicContact CB-CH2 4.45Å; P5-W24 HydrophobicContact CB-CZ2 4.47Å; P5-W24 HydrophobicContact CG-CD2 4.07Å; P5-W24 HydrophobicContact CG-CE3 4.25Å; P5-W24 HydrophobicContact CG-CH2 3.56Å; P5-W24 HydrophobicContact CG-CZ2 3.31Å; P5-W24 HydrophobicContact CG-CZ3 4.02Å; A6-W24 HydrophobicContact CB-CE3 4.11Å; A6-W24 HydrophobicContact CB-CH2 4.38Å; A6-W24 HydrophobicContact CB-CZ3 3.47Å; A6-W24 VanDerWaalsContact CB-CZ3 3.47Å; V11-W24 WeakPolarHBondContact CG1-O 3.39Å; K17-W24 HydrophobicContact CB-CB 4.31Å; K17-W24 PolarHBondContact N-O 2.79Å; K17-W24 PolarHBondContact O-N 3.48Å; W24-L29 HydrophobicContact CB-CD1 3.62Å; W24-L29 HydrophobicContact CD2-CD1 3.77Å; W24-L29 HydrophobicContact CE3-CD1 4.04Å; W24-L29 HydrophobicContact CG-CD1 3.59Å; W24-E47 HydrophobicContact CZ2-CG 4.01Å; W24-E47 VanDerWaalsContact CZ2-OE2 3.25Å; W24-E47 WeakPolarHBondContact CZ2-OE2 3.39Å; W24-G50 WeakPolarHBondContact CH2-O 3.41Å; W24-P52 HydrophobicContact CE3-CG 4.14Å; W24-P52 HydrophobicContact CH2-CB 4.33Å; W24-P52 HydrophobicContact CH2-CG 3.94Å; W24-P52 HydrophobicContact CZ3-CB 4.29Å; W24-P52 HydrophobicContact CZ3-CG 3.54Å |
| 25 | H | 91.6 | Very high | 88 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.3 | 166.5 | -53.9 | 97.2 | 0 | 0 | 0 | 110.5 | C4 C7 K9 P10 E15 A27 C28 L29 | C4-H25 WeakPolarHBondContact CB-CE1 3.37Å; C4-H25 WeakPolarHBondContact CB-ND1 3.46Å; C7-H25 PolarHBondContact SG-CE1 3.29Å; C7-H25 PolarHBondContact SG-ND1 2.82Å; K9-H25 PolarHBondContact O-CE1 3.18Å; P10-H25 PolarHBondContact O-NE2 2.97Å; E15-H25 CarbonylContact O-C 3.59Å; E15-H25 WeakPolarHBondContact O-CA 3.36Å; H25-A27 PolarHBondContact O-N 3.26Å; H25-A27 VanDerWaalsContact O-N 3.17Å; H25-C28 HydrophobicContact CB-CB 3.88Å; H25-C28 PolarHBondContact ND1-SG 3.14Å; H25-C28 PolarHBondContact O-N 3.46Å; H25-L29 WeakPolarHBondContact O-CB 3.41Å; H25-L29 PolarHBondContact O-N 3.3Å |
| 26 | S | 87.6 | Confident | 88.3 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -42.3 | 170.5 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | E15 K17 | E15-S26 PolarHBondContact O-N 3.16Å; E15-S26 PolarHBondContact O-OG 3.35Å; K17-S26 VanDerWaalsContact CE-OG 3.31Å; K17-S26 WeakPolarHBondContact CE-OG 3.38Å |
| 27 | A | 88.2 | Confident | 88.4 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 54% | 0.537 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -26.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H25 | H25-A27 PolarHBondContact O-N 3.26Å; H25-A27 VanDerWaalsContact O-N 3.17Å |
| 28 | C | 90.9 | Very high | 88.7 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -23.1 | 177 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | A6 H25 R30 | A6-C28 HydrophobicContact CB-CB 4.24Å; H25-C28 HydrophobicContact CB-CB 3.88Å; H25-C28 PolarHBondContact ND1-SG 3.14Å; H25-C28 PolarHBondContact O-N 3.46Å; C28-R30 PolarHBondContact O-N 2.84Å |
| 29 | L | 90.7 | Very high | 89 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | trans | -77 | 65 | 178.4 | -155.1 | 74.8 | 0 | 0 | 0 | 111.5 | K17 W24 H25 L40 P42 H45 P52 | K17-L29 HydrophobicContact CB-CD2 4.14Å; K17-L29 HydrophobicContact CG-CD2 4.26Å; W24-L29 HydrophobicContact CB-CD1 3.62Å; W24-L29 HydrophobicContact CD2-CD1 3.77Å; W24-L29 HydrophobicContact CE3-CD1 4.04Å; W24-L29 HydrophobicContact CG-CD1 3.59Å; H25-L29 WeakPolarHBondContact O-CB 3.41Å; H25-L29 PolarHBondContact O-N 3.3Å; L29-L40 HydrophobicContact CG-CB 4.36Å; L29-L40 WeakPolarHBondContact O-CA 3.23Å; L29-L40 VanDerWaalsContact O-CB 3.25Å; L29-L40 WeakPolarHBondContact O-CB 3.29Å; L29-L40 PolarHBondContact O-N 3.1Å; L29-P42 HydrophobicContact CD2-CB 4.49Å; L29-H45 WeakPolarHBondContact CD1-NE2 3.36Å; L29-H45 WeakPolarHBondContact CD2-CE1 3.48Å; L29-P52 HydrophobicContact CD1-CB 4.14Å | ||
| 30 | R | 92 | Very high | 89.4 | Confident | 150 Ų | 150 | 61.2 Ų | 61.2 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | B | Isolated β-bridge | trans | -125 | 148 | -179.4 | 65.8 | -173 | 179.5 | -173.2 | -0.3 | 110.6 | C28 A32 K38 P52 | C28-R30 PolarHBondContact O-N 2.84Å; R30-A32 PolarHBondContact O-N 2.64Å; R30-A32 VanDerWaalsContact O-N 3.1Å; R30-K38 CarbonylContact C-O 3.51Å; R30-K38 VanDerWaalsContact CA-O 3.23Å; R30-K38 WeakPolarHBondContact CA-O 3.34Å; R30-K38 WeakPolarHBondContact CB-O 3.48Å; R30-P52 WeakPolarHBondContact O-CG 3.2Å |
| 31 | C | 93.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | trans | -57.2 | 119.6 | -177.8 | -161.4 | 0 | 0 | 0 | 0 | 110.8 | N33 C36 K37 K38 L40 P52 C54 | C31-N33 PolarHBondContact O-N 2.89Å; C31-C36 HydrophobicContact CB-CB 3.97Å; C31-C36 VanDerWaalsContact SG-SG 3.61Å; C31-K37 VanDerWaalsContact O-CA 3.29Å; C31-K37 WeakPolarHBondContact O-CA 3.32Å; C31-K38 HydrophobicContact CB-CG 4.26Å; C31-K38 PolarHBondContact N-O 2.86Å; C31-L40 HydrophobicContact CB-CD1 4.43Å; C31-L40 HydrophobicContact CB-CD2 4.17Å; C31-P52 CarbonylContact C-O 3.57Å; C31-P52 WeakPolarHBondContact CA-O 3.31Å; C31-C54 PolarHBondContact SG-N 2.87Å | ||
| 32 | A | 91.2 | Very high | 89.6 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 31% | 0.314 | 33% | 0.326 | S | S | . | . | trans | -70.2 | -13.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | R30 E34 R51 P52 Y53 | R30-A32 PolarHBondContact O-N 2.64Å; R30-A32 VanDerWaalsContact O-N 3.1Å; A32-E34 PolarHBondContact O-N 2.88Å; A32-R51 HydrophobicContact CB-CB 3.7Å; A32-R51 HydrophobicContact CB-CG 4.39Å; A32-P52 PolarHBondContact N-O 3.49Å; A32-Y53 HydrophobicContact CB-CD1 4.42Å; A32-Y53 HydrophobicContact CB-CE1 3.91Å; A32-Y53 HydrophobicContact CB-CE2 4.19Å | ||
| 33 | N | 91.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -64.4 | 123.4 | 172.2 | -175.6 | 36.6 | 0 | 0 | 0 | 110.6 | C31 P35 C36 K37 Y53 C57 L61 | C31-N33 PolarHBondContact O-N 2.89Å; N33-P35 WeakPolarHBondContact OD1-CD 3.1Å; N33-C36 HydrophobicContact CB-CB 3.84Å; N33-C36 WeakPolarHBondContact O-CA 3.11Å; N33-C36 WeakPolarHBondContact O-CB 3.35Å; N33-C36 PolarHBondContact O-N 2.85Å; N33-K37 PolarHBondContact O-N 3.33Å; N33-Y53 HydrophobicContact CB-CD1 4.12Å; N33-Y53 HydrophobicContact CB-CE1 4.16Å; N33-C57 HydrophobicContact CB-CB 4.1Å; N33-C57 PolarHBondContact ND2-SG 3.35Å; N33-L61 HydrophobicContact CB-CD1 4.12Å |
| 34 | E | 89.5 | Confident | 89.3 | Confident | 142 Ų | 142 | 60.9 Ų | 60.9 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -50.7 | -172.1 | 175.2 | 143.6 | 94.9 | 0 | 0 | 115.4 | A32 C36 K37 | A32-E34 PolarHBondContact O-N 2.88Å; E34-C36 PolarHBondContact O-N 2.9Å; E34-K37 WeakPolarHBondContact O-CE 3.39Å; E34-K37 WeakPolarHBondContact O-CG 3.14Å; E34-K37 IonicContact OE2-NZ 2.88Å; E34-K37 PolarHBondContact OE2-NZ 3.47Å |
| 35 | P | 92.2 | Very high | 89.2 | Confident | 118 Ų | 118 | 61.5 Ų | 61.5 | 77% | 0.766 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -9.5 | 176.3 | 27 | -36.6 | 0 | 0 | 0 | 113.4 | N33 | N33-P35 WeakPolarHBondContact OD1-CD 3.1Š|
| 36 | C | 92.7 | Very high | 89.1 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -60 | -176.9 | -164.2 | 0 | 0 | 0 | 0 | 111.1 | C31 N33 E34 K38 C54 | C31-C36 HydrophobicContact CB-CB 3.97Å; C31-C36 VanDerWaalsContact SG-SG 3.61Å; N33-C36 HydrophobicContact CB-CB 3.84Å; N33-C36 WeakPolarHBondContact O-CA 3.11Å; N33-C36 WeakPolarHBondContact O-CB 3.35Å; N33-C36 PolarHBondContact O-N 2.85Å; E34-C36 PolarHBondContact O-N 2.9Å; C36-K38 PolarHBondContact O-N 3.26Å; C36-K38 PolarHBondContact SG-NZ 2.8Å; C36-C54 VanDerWaalsContact SG-SG 3.63Å |
| 37 | K | 89.4 | Confident | 89 | Confident | 118 Ų | 118 | 62.3 Ų | 62.3 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | trans | 37.6 | 18.2 | -179.9 | -71.2 | -178.6 | -163.1 | -178.8 | 0 | 116.9 | C31 N33 E34 | C31-K37 VanDerWaalsContact O-CA 3.29Å; C31-K37 WeakPolarHBondContact O-CA 3.32Å; N33-K37 PolarHBondContact O-N 3.33Å; E34-K37 WeakPolarHBondContact O-CE 3.39Å; E34-K37 WeakPolarHBondContact O-CG 3.14Å; E34-K37 IonicContact OE2-NZ 2.88Å; E34-K37 PolarHBondContact OE2-NZ 3.47Å | ||
| 38 | K | 91.9 | Very high | 89 | Confident | 75 Ų | 75 | 62.6 Ų | 62.6 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 150.1 | -174.6 | 66 | 165.7 | 161 | -95.5 | 0 | 111.1 | R30 C31 C36 L40 C54 M56 | R30-K38 CarbonylContact C-O 3.51Å; R30-K38 VanDerWaalsContact CA-O 3.23Å; R30-K38 WeakPolarHBondContact CA-O 3.34Å; R30-K38 WeakPolarHBondContact CB-O 3.48Å; C31-K38 HydrophobicContact CB-CG 4.26Å; C31-K38 PolarHBondContact N-O 2.86Å; C36-K38 PolarHBondContact O-N 3.26Å; C36-K38 PolarHBondContact SG-NZ 2.8Å; K38-L40 HydrophobicContact CD-CD2 4.44Å; K38-L40 HydrophobicContact CG-CD2 3.99Å; K38-L40 PolarHBondContact O-N 2.74Å; K38-C54 VanDerWaalsContact CE-SG 3.59Å; K38-M56 PolarHBondContact NZ-SD 2.82Å |
| 39 | V | 89.9 | Confident | 88.8 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | B | Isolated β-bridge | trans | -64.7 | 130.8 | 171.3 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 40 | L | 89.9 | Confident | 88.4 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.063 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -102.6 | 143.1 | -179.1 | -52.7 | 178.5 | 0 | 0 | 0 | 109.9 | L29 C31 K38 H45 P52 C54 | L29-L40 HydrophobicContact CG-CB 4.36Å; L29-L40 WeakPolarHBondContact O-CA 3.23Å; L29-L40 VanDerWaalsContact O-CB 3.25Å; L29-L40 WeakPolarHBondContact O-CB 3.29Å; L29-L40 PolarHBondContact O-N 3.1Å; C31-L40 HydrophobicContact CB-CD1 4.43Å; C31-L40 HydrophobicContact CB-CD2 4.17Å; K38-L40 HydrophobicContact CD-CD2 4.44Å; K38-L40 HydrophobicContact CG-CD2 3.99Å; K38-L40 PolarHBondContact O-N 2.74Å; L40-H45 HydrophobicContact CB-CB 3.96Å; L40-H45 HydrophobicContact CD1-CB 3.63Å; L40-H45 HydrophobicContact CG-CB 4.29Å; L40-P52 HydrophobicContact CD1-CB 4.18Å; L40-C54 HydrophobicContact CD2-CB 3.43Å; L40-C54 VanDerWaalsContact CD2-CB 3.43Å |
| 41 | V | 84 | Confident | 88.2 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 58% | 0.582 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 135.9 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | G43 S44 H45 | V41-G43 PolarHBondContact O-N 3.33Å; V41-S44 PolarHBondContact O-N 3.22Å; V41-S44 VanDerWaalsContact O-N 3.14Å; V41-H45 PolarHBondContact O-ND1 2.74Å |
| 42 | P | 79.5 | Confident | 88.1 | Confident | 54 Ų | 54 | 69 Ų | 69 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 128.7 | 171.4 | 24.7 | -37.1 | 0 | 0 | 0 | 111.2 | K17 L29 | K17-P42 HydrophobicContact CB-CB 4.12Å; K17-P42 HydrophobicContact CD-CB 3.73Å; K17-P42 HydrophobicContact CD-CG 3.72Å; K17-P42 HydrophobicContact CG-CB 4.06Å; K17-P42 HydrophobicContact CG-CG 4.39Å; L29-P42 HydrophobicContact CD2-CB 4.49Å |
| 43 | G | 82.4 | Confident | 88.1 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | -10.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | V41 | V41-G43 PolarHBondContact O-N 3.33Š|
| 44 | S | 86 | Confident | 88.2 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 59% | 0.594 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -117.9 | 35.2 | 179.4 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | V41 | V41-S44 PolarHBondContact O-N 3.22Å; V41-S44 VanDerWaalsContact O-N 3.14Å |
| 45 | H | 87.7 | Confident | 88.3 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 7% | 0.069 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 171.7 | -178.8 | 62.7 | -83.4 | 0 | 0 | 0 | 111 | S19 L29 L40 V41 Y53 | S19-H45 VanDerWaalsContact CB-NE2 3.31Å; S19-H45 WeakPolarHBondContact CB-NE2 3.42Å; S19-H45 PolarHBondContact OG-CE1 2.82Å; S19-H45 PolarHBondContact OG-NE2 2.93Å; L29-H45 WeakPolarHBondContact CD1-NE2 3.36Å; L29-H45 WeakPolarHBondContact CD2-CE1 3.48Å; L40-H45 HydrophobicContact CB-CB 3.96Å; L40-H45 HydrophobicContact CD1-CB 3.63Å; L40-H45 HydrophobicContact CG-CB 4.29Å; V41-H45 PolarHBondContact O-ND1 2.74Å; H45-Y53 WeakPolarHBondContact CB-O 3.25Å |
| 46 | S | 89.5 | Confident | 88.2 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 16% | 0.161 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.3 | -178.6 | -53 | 0 | 0 | 0 | 0 | 110.2 | Y53 H58 | S46-Y53 PolarHBondContact N-O 3.42Å; S46-Y53 PolarHBondContact O-N 3.17Å; S46-H58 VanDerWaalsContact CB-CG 3.48Å |
| 47 | E | 86.1 | Confident | 88.2 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 19% | 0.192 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 136.6 | 168.2 | -171.5 | -171.7 | 126 | 0 | 0 | 110.8 | M20 K22 W24 R51 | M20-E47 HydrophobicContact CE-CB 3.92Å; M20-E47 HydrophobicContact SD-CB 3.72Å; M20-E47 PolarHBondContact SD-N 3.26Å; K22-E47 VanDerWaalsContact CD-OE2 3.32Å; K22-E47 WeakPolarHBondContact CD-OE2 3.23Å; W24-E47 HydrophobicContact CZ2-CG 4.01Å; W24-E47 VanDerWaalsContact CZ2-OE2 3.25Å; W24-E47 WeakPolarHBondContact CZ2-OE2 3.39Å; E47-R51 CarbonylContact C-O 3.51Å; E47-R51 WeakPolarHBondContact CA-O 3.46Å |
| 48 | H | 87.9 | Confident | 88.3 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 127.7 | 168.5 | -171.7 | 92.9 | 0 | 0 | 0 | 109.3 | G50 R51 Y53 F62 | H48-G50 VanDerWaalsContact C-N 3.25Å; H48-G50 PolarHBondContact O-N 3.27Å; H48-R51 PolarHBondContact N-O 2.83Å; H48-R51 WeakPolarHBondContact O-CB 3.36Å; H48-R51 PolarHBondContact O-N 2.86Å; H48-R51 VanDerWaalsContact O-O 3.11Å; H48-Y53 HydrophobicContact CB-CD2 3.79Å; H48-Y53 HydrophobicContact CB-CE2 3.79Å; H48-F62 HydrophobicContact CB-CD2 3.96Å; H48-F62 HydrophobicContact CB-CE2 3.55Å; H48-F62 HydrophobicContact CB-CZ 3.86Å; H48-F62 AromaticContact CD2-CD1 3.7Å; H48-F62 AromaticContact CD2-CE1 3.11Å; H48-F62 WeakPolarHBondContact CD2-CE1 3.06Å; H48-F62 AromaticContact CD2-CE2 3.75Å; H48-F62 AromaticContact CD2-CZ 3.14Å; H48-F62 WeakPolarHBondContact CD2-CZ 3.43Å; H48-F62 AromaticContact CE1-CD1 3.32Å; H48-F62 WeakPolarHBondContact CE1-CD1 3.13Å; H48-F62 AromaticContact CE1-CE1 3.58Å; H48-F62 AromaticContact CE1-CG 3.74Å; H48-F62 AromaticContact CG-CD1 3.85Å; H48-F62 AromaticContact CG-CD2 3.73Å; H48-F62 AromaticContact CG-CE1 3.61Å; H48-F62 AromaticContact CG-CE2 3.48Å; H48-F62 VanDerWaalsContact CG-CE2 3.48Å; H48-F62 AromaticContact CG-CG 3.91Å; H48-F62 AromaticContact CG-CZ 3.41Å; H48-F62 VanDerWaalsContact CG-CZ 3.41Å; H48-F62 AromaticContact ND1-CD1 3.63Å; H48-F62 AromaticContact ND1-CD2 3.81Å; H48-F62 AromaticContact ND1-CE1 3.87Å; H48-F62 AromaticContact ND1-CG 3.6Å; H48-F62 AromaticContact NE2-CD1 3.35Å; H48-F62 WeakPolarHBondContact NE2-CD1 3.49Å; H48-F62 AromaticContact NE2-CE1 3.1Å; H48-F62 WeakPolarHBondContact NE2-CE1 3.48Å; H48-F62 AromaticContact NE2-CZ 3.7Å |
| 49 | D | 86 | Confident | 88.2 | Confident | 138 Ų | 138 | 63.5 Ų | 63.5 | 74% | 0.738 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 39.6 | -178.5 | -158.7 | -122.4 | 0 | 0 | 0 | 113.5 | R51 | D49-R51 PolarHBondContact O-N 3Š|
| 50 | G | 84.2 | Confident | 88.1 | Confident | 27 Ų | 27 | 61 Ų | 61 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 13 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W24 H48 | W24-G50 WeakPolarHBondContact CH2-O 3.41Å; H48-G50 VanDerWaalsContact C-N 3.25Å; H48-G50 PolarHBondContact O-N 3.27Å |
| 51 | R | 87.8 | Confident | 88.1 | Confident | 143 Ų | 143 | 64.1 Ų | 64.1 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.4 | 178.8 | -62.6 | -177.8 | -173.1 | 175.6 | 3.6 | 111.3 | A32 E47 H48 D49 Y53 | A32-R51 HydrophobicContact CB-CB 3.7Å; A32-R51 HydrophobicContact CB-CG 4.39Å; E47-R51 CarbonylContact C-O 3.51Å; E47-R51 WeakPolarHBondContact CA-O 3.46Å; H48-R51 PolarHBondContact N-O 2.83Å; H48-R51 WeakPolarHBondContact O-CB 3.36Å; H48-R51 PolarHBondContact O-N 2.86Å; H48-R51 VanDerWaalsContact O-O 3.11Å; D49-R51 PolarHBondContact O-N 3Å; R51-Y53 HydrophobicContact CB-CE2 3.83Å; R51-Y53 VanDerWaalsContact O-CD2 3.23Å; R51-Y53 WeakPolarHBondContact O-CD2 3.4Å; R51-Y53 WeakPolarHBondContact O-CE2 3.47Å |
| 52 | P | 90.8 | Very high | 88.3 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.039 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.9 | -178.5 | 28.7 | -23.9 | 0 | 0 | 0 | 111.6 | W24 L29 R30 C31 A32 L40 | W24-P52 HydrophobicContact CE3-CG 4.14Å; W24-P52 HydrophobicContact CH2-CB 4.33Å; W24-P52 HydrophobicContact CH2-CG 3.94Å; W24-P52 HydrophobicContact CZ3-CB 4.29Å; W24-P52 HydrophobicContact CZ3-CG 3.54Å; L29-P52 HydrophobicContact CD1-CB 4.14Å; R30-P52 WeakPolarHBondContact O-CG 3.2Å; C31-P52 CarbonylContact C-O 3.57Å; C31-P52 WeakPolarHBondContact CA-O 3.31Å; A32-P52 PolarHBondContact N-O 3.49Å; L40-P52 HydrophobicContact CD1-CB 4.18Å |
| 53 | Y | 92 | Very high | 88.5 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.9 | 178 | -67.5 | -91 | 0 | 0 | 0 | 110.1 | A32 N33 H45 S46 H48 R51 C57 L61 F62 | A32-Y53 HydrophobicContact CB-CD1 4.42Å; A32-Y53 HydrophobicContact CB-CE1 3.91Å; A32-Y53 HydrophobicContact CB-CE2 4.19Å; N33-Y53 HydrophobicContact CB-CD1 4.12Å; N33-Y53 HydrophobicContact CB-CE1 4.16Å; H45-Y53 WeakPolarHBondContact CB-O 3.25Å; S46-Y53 PolarHBondContact N-O 3.42Å; S46-Y53 PolarHBondContact O-N 3.17Å; H48-Y53 HydrophobicContact CB-CD2 3.79Å; H48-Y53 HydrophobicContact CB-CE2 3.79Å; R51-Y53 HydrophobicContact CB-CE2 3.83Å; R51-Y53 VanDerWaalsContact O-CD2 3.23Å; R51-Y53 WeakPolarHBondContact O-CD2 3.4Å; R51-Y53 WeakPolarHBondContact O-CE2 3.47Å; Y53-C57 HydrophobicContact CD1-CB 4.49Å; Y53-L61 HydrophobicContact CD1-CD1 3.89Å; Y53-L61 HydrophobicContact CE1-CD1 3.76Å; Y53-F62 HydrophobicContact CD1-CE2 4.21Å; Y53-F62 AromaticContact CD2-CE2 3.79Å; Y53-F62 HydrophobicContact CD2-CE2 3.79Å; Y53-F62 HydrophobicContact CD2-CZ 4.43Å; Y53-F62 HydrophobicContact CE1-CE2 4.17Å; Y53-F62 HydrophobicContact CE1-CZ 4.35Å; Y53-F62 AromaticContact CE2-CE2 3.74Å; Y53-F62 HydrophobicContact CE2-CE2 3.74Å; Y53-F62 AromaticContact CE2-CZ 3.91Å; Y53-F62 HydrophobicContact CE2-CZ 3.91Å; Y53-F62 HydrophobicContact CG-CE2 4.03Å; Y53-F62 AromaticContact CZ-CE2 3.93Å; Y53-F62 AromaticContact CZ-CZ 3.86Å |
| 54 | C | 92.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 150.4 | 169 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | C31 C36 K38 L40 M56 C57 H58 | C31-C54 PolarHBondContact SG-N 2.87Å; C36-C54 VanDerWaalsContact SG-SG 3.63Å; K38-C54 VanDerWaalsContact CE-SG 3.59Å; L40-C54 HydrophobicContact CD2-CB 3.43Å; L40-C54 VanDerWaalsContact CD2-CB 3.43Å; C54-M56 HydrophobicContact CB-CE 4.42Å; C54-M56 HydrophobicContact CB-CG 4.01Å; C54-M56 PolarHBondContact O-N 2.99Å; C54-M56 WeakPolarHBondContact SG-CG 3.46Å; C54-C57 PolarHBondContact O-N 2.85Å; C54-C57 VanDerWaalsContact SG-CB 3.51Å; C54-C57 PolarHBondContact SG-N 3.5Å; C54-C57 VanDerWaalsContact SG-N 3.39Å; C54-C57 PolarHBondContact SG-SG 2.99Å; C54-H58 WeakPolarHBondContact O-CB 3.32Å; C54-H58 PolarHBondContact O-N 3.07Å |
| 55 | N | 91 | Very high | 87.2 | Confident | 102 Ų | 102 | 68.3 Ų | 68.3 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -49.7 | -37.6 | 179.9 | -166.1 | 26.1 | 0 | 0 | 0 | 112.8 | R59 | N55-R59 WeakPolarHBondContact O-CB 3.31Å; N55-R59 WeakPolarHBondContact O-CG 3.32Å; N55-R59 PolarHBondContact O-N 2.94Å |
| 56 | M | 90.8 | Very high | 85.7 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 44% | 0.438 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 176.8 | 61 | -178.7 | 104 | 0 | 0 | 115 | K38 C54 R59 A60 | K38-M56 PolarHBondContact NZ-SD 2.82Å; C54-M56 HydrophobicContact CB-CE 4.42Å; C54-M56 HydrophobicContact CB-CG 4.01Å; C54-M56 PolarHBondContact O-N 2.99Å; C54-M56 WeakPolarHBondContact SG-CG 3.46Å; M56-R59 VanDerWaalsContact CA-NH1 3.26Å; M56-R59 VanDerWaalsContact O-CG 3.31Å; M56-R59 WeakPolarHBondContact O-CG 3.22Å; M56-A60 WeakPolarHBondContact O-CB 3.45Å; M56-A60 PolarHBondContact O-N 3.07Å; M56-A60 VanDerWaalsContact O-N 3.15Å |
| 57 | C | 92.2 | Very high | 84.2 | Confident | 14 Ų | 14 | 80.9 Ų | 80.9 | 10% | 0.095 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -77.8 | -37.5 | 175.9 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | N33 Y53 C54 R59 A60 L61 | N33-C57 HydrophobicContact CB-CB 4.1Å; N33-C57 PolarHBondContact ND2-SG 3.35Å; Y53-C57 HydrophobicContact CD1-CB 4.49Å; C54-C57 PolarHBondContact O-N 2.85Å; C54-C57 VanDerWaalsContact SG-CB 3.51Å; C54-C57 PolarHBondContact SG-N 3.5Å; C54-C57 VanDerWaalsContact SG-N 3.39Å; C54-C57 PolarHBondContact SG-SG 2.99Å; C57-R59 PolarHBondContact O-N 2.93Å; C57-A60 PolarHBondContact O-N 3.15Å; C57-A60 VanDerWaalsContact O-N 3.16Å; C57-L61 HydrophobicContact CB-CD1 4.22Å; C57-L61 VanDerWaalsContact O-CB 3.23Å; C57-L61 WeakPolarHBondContact O-CB 3.25Å; C57-L61 VanDerWaalsContact O-CG 3.22Å; C57-L61 WeakPolarHBondContact O-CG 3.42Å; C57-L61 PolarHBondContact O-N 3.35Å |
| 58 | H | 91.1 | Very high | 82.7 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 21% | 0.213 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 176 | -172.4 | -100.4 | 0 | 0 | 0 | 110.7 | S46 C54 A60 F62 G63 | S46-H58 VanDerWaalsContact CB-CG 3.48Å; C54-H58 WeakPolarHBondContact O-CB 3.32Å; C54-H58 PolarHBondContact O-N 3.07Å; H58-A60 VanDerWaalsContact C-N 3.35Å; H58-A60 PolarHBondContact O-N 3.41Å; H58-F62 AromaticContact CD2-CD2 3.41Å; H58-F62 VanDerWaalsContact CD2-CD2 3.41Å; H58-F62 WeakPolarHBondContact CD2-CD2 3.08Å; H58-F62 AromaticContact CD2-CE2 3.98Å; H58-F62 AromaticContact NE2-CD2 3.87Å; H58-F62 WeakPolarHBondContact O-CA 3.44Å; H58-F62 WeakPolarHBondContact O-CB 3.49Å; H58-F62 WeakPolarHBondContact O-CD2 3.47Å; H58-F62 PolarHBondContact O-N 3.32Å; H58-G63 PolarHBondContact O-N 3.36Å |
| 59 | R | 90 | Very high | 81.1 | Confident | 164 Ų | 164 | 87 Ų | 87 | 62% | 0.619 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.8 | -33.7 | 174.6 | 81.9 | 175.3 | -166 | -101 | -8.3 | 113.3 | N55 M56 C57 G63 | N55-R59 WeakPolarHBondContact O-CB 3.31Å; N55-R59 WeakPolarHBondContact O-CG 3.32Å; N55-R59 PolarHBondContact O-N 2.94Å; M56-R59 VanDerWaalsContact CA-NH1 3.26Å; M56-R59 VanDerWaalsContact O-CG 3.31Å; M56-R59 WeakPolarHBondContact O-CG 3.22Å; C57-R59 PolarHBondContact O-N 2.93Å; R59-G63 WeakPolarHBondContact O-CA 3.34Å; R59-G63 PolarHBondContact O-N 3.4Å |
| 60 | A | 89 | Confident | 79.3 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -78.7 | -32 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | M56 C57 H58 | M56-A60 WeakPolarHBondContact O-CB 3.45Å; M56-A60 PolarHBondContact O-N 3.07Å; M56-A60 VanDerWaalsContact O-N 3.15Å; C57-A60 PolarHBondContact O-N 3.15Å; C57-A60 VanDerWaalsContact O-N 3.16Å; H58-A60 VanDerWaalsContact C-N 3.35Å; H58-A60 PolarHBondContact O-N 3.41Å |
| 61 | L | 88.5 | Confident | 77.8 | Confident | 78 Ų | 78 | 86.9 Ų | 86.9 | 41% | 0.408 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -88.5 | -43.3 | 179.1 | -64.5 | 169 | 0 | 0 | 0 | 111.7 | N33 Y53 C57 | N33-L61 HydrophobicContact CB-CD1 4.12Å; Y53-L61 HydrophobicContact CD1-CD1 3.89Å; Y53-L61 HydrophobicContact CE1-CD1 3.76Å; C57-L61 HydrophobicContact CB-CD1 4.22Å; C57-L61 VanDerWaalsContact O-CB 3.23Å; C57-L61 WeakPolarHBondContact O-CB 3.25Å; C57-L61 VanDerWaalsContact O-CG 3.22Å; C57-L61 WeakPolarHBondContact O-CG 3.42Å; C57-L61 PolarHBondContact O-N 3.35Å |
| 62 | F | 88.8 | Confident | 76.2 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 34% | 0.338 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -119 | -7.6 | -172.2 | -46.3 | -68.2 | 0 | 0 | 0 | 114.6 | H48 Y53 H58 | H48-F62 HydrophobicContact CB-CD2 3.96Å; H48-F62 HydrophobicContact CB-CE2 3.55Å; H48-F62 HydrophobicContact CB-CZ 3.86Å; H48-F62 AromaticContact CD2-CD1 3.7Å; H48-F62 AromaticContact CD2-CE1 3.11Å; H48-F62 WeakPolarHBondContact CD2-CE1 3.06Å; H48-F62 AromaticContact CD2-CE2 3.75Å; H48-F62 AromaticContact CD2-CZ 3.14Å; H48-F62 WeakPolarHBondContact CD2-CZ 3.43Å; H48-F62 AromaticContact CE1-CD1 3.32Å; H48-F62 WeakPolarHBondContact CE1-CD1 3.13Å; H48-F62 AromaticContact CE1-CE1 3.58Å; H48-F62 AromaticContact CE1-CG 3.74Å; H48-F62 AromaticContact CG-CD1 3.85Å; H48-F62 AromaticContact CG-CD2 3.73Å; H48-F62 AromaticContact CG-CE1 3.61Å; H48-F62 AromaticContact CG-CE2 3.48Å; H48-F62 VanDerWaalsContact CG-CE2 3.48Å; H48-F62 AromaticContact CG-CG 3.91Å; H48-F62 AromaticContact CG-CZ 3.41Å; H48-F62 VanDerWaalsContact CG-CZ 3.41Å; H48-F62 AromaticContact ND1-CD1 3.63Å; H48-F62 AromaticContact ND1-CD2 3.81Å; H48-F62 AromaticContact ND1-CE1 3.87Å; H48-F62 AromaticContact ND1-CG 3.6Å; H48-F62 AromaticContact NE2-CD1 3.35Å; H48-F62 WeakPolarHBondContact NE2-CD1 3.49Å; H48-F62 AromaticContact NE2-CE1 3.1Å; H48-F62 WeakPolarHBondContact NE2-CE1 3.48Å; H48-F62 AromaticContact NE2-CZ 3.7Å; Y53-F62 HydrophobicContact CD1-CE2 4.21Å; Y53-F62 AromaticContact CD2-CE2 3.79Å; Y53-F62 HydrophobicContact CD2-CE2 3.79Å; Y53-F62 HydrophobicContact CD2-CZ 4.43Å; Y53-F62 HydrophobicContact CE1-CE2 4.17Å; Y53-F62 HydrophobicContact CE1-CZ 4.35Å; Y53-F62 AromaticContact CE2-CE2 3.74Å; Y53-F62 HydrophobicContact CE2-CE2 3.74Å; Y53-F62 AromaticContact CE2-CZ 3.91Å; Y53-F62 HydrophobicContact CE2-CZ 3.91Å; Y53-F62 HydrophobicContact CG-CE2 4.03Å; Y53-F62 AromaticContact CZ-CE2 3.93Å; Y53-F62 AromaticContact CZ-CZ 3.86Å; H58-F62 AromaticContact CD2-CD2 3.41Å; H58-F62 VanDerWaalsContact CD2-CD2 3.41Å; H58-F62 WeakPolarHBondContact CD2-CD2 3.08Å; H58-F62 AromaticContact CD2-CE2 3.98Å; H58-F62 AromaticContact NE2-CD2 3.87Å; H58-F62 WeakPolarHBondContact O-CA 3.44Å; H58-F62 WeakPolarHBondContact O-CB 3.49Å; H58-F62 WeakPolarHBondContact O-CD2 3.47Å; H58-F62 PolarHBondContact O-N 3.32Å |
| 63 | G | 84.2 | Confident | 74.2 | Confident | 20 Ų | 20 | 93.4 Ų | 93.4 | 21% | 0.206 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -66.1 | 170.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | H58 R59 K65 | H58-G63 PolarHBondContact O-N 3.36Å; R59-G63 WeakPolarHBondContact O-CA 3.34Å; R59-G63 PolarHBondContact O-N 3.4Å; G63-K65 VanDerWaalsContact C-N 3.3Å; G63-K65 PolarHBondContact O-N 3.22Å |
| 64 | P | 77.3 | Confident | 72.5 | Confident | 140 Ų | 140 | 98.9 Ų | 98.9 | 91% | 0.909 | 58% | 0.577 | S | S | * | * | trans | -59.4 | 96.5 | 178.4 | 25.6 | -33.4 | 0 | 0 | 0 | 108.7 | G66 | P64-G66 PolarHBondContact O-N 2.71Š| ||
| 65 | K | 62.9 | Low | 70.7 | Confident | 154 Ų | 154 | 104.9 Ų | 104.9 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | trans | -75.2 | 85.6 | 172.6 | -165.4 | 152.7 | -179.8 | 177.4 | 0 | 104.9 | G63 Y67 | G63-K65 VanDerWaalsContact C-N 3.3Å; G63-K65 PolarHBondContact O-N 3.22Å; K65-Y67 VanDerWaalsContact C-N 3.31Å; K65-Y67 WeakPolarHBondContact O-CD2 3.05Å; K65-Y67 PolarHBondContact O-N 2.86Å | ||
| 66 | G | 57.8 | Low | 69.1 | Low | 64 Ų | 64 | 104.9 Ų | 104.9 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | trans | -50.8 | 105.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | P64 G68 | P64-G66 PolarHBondContact O-N 2.71Å; G66-G68 VanDerWaalsContact C-N 3.28Å; G66-G68 PolarHBondContact O-N 3.48Å | ||
| 67 | Y | 57.3 | Low | 67.3 | Low | 237 Ų | 237 | 111.2 Ų | 111.2 | 93% | 0.929 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -58.3 | 95.1 | 173 | -87.6 | -108.2 | 0 | 0 | 0 | 107.4 | K65 | K65-Y67 VanDerWaalsContact C-N 3.31Å; K65-Y67 WeakPolarHBondContact O-CD2 3.05Å; K65-Y67 PolarHBondContact O-N 2.86Å |
| 68 | G | 55.2 | Low | 65.8 | Low | 48 Ų | 48 | 118.1 Ų | 118.1 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | trans | 176.4 | 78.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | G66 | G66-G68 VanDerWaalsContact C-N 3.28Å; G66-G68 PolarHBondContact O-N 3.48Å | ||
| 69 | H | 52.9 | Low | 64 | Low | 193 Ų | 193 | 121.4 Ų | 121.4 | 89% | 0.894 | 69% | 0.692 | S | S | * | * | trans | -180 | 70.5 | 139.1 | -74.7 | 149.9 | 0 | 0 | 0 | 107.4 | G71 | H69-G71 VanDerWaalsContact C-N 3.3Å; H69-G71 PolarHBondContact O-N 2.85Å | ||
| 70 | G | 48.3 | Very low | 62.6 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 93% | 0.928 | 70% | 0.699 | S | S | * | * | trans | -61.3 | 105.7 | 136.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 71 | G | 52.2 | Low | 61.5 | Low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | -147.5 | 31.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H69 | H69-G71 VanDerWaalsContact C-N 3.3Å; H69-G71 PolarHBondContact O-N 2.85Å | ||
| 72 | T | 54.4 | Low | 60 | Low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -96.9 | 96.5 | 153.2 | 179.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 73 | E | 50.5 | Low | 59 | Low | 156 Ų | 156 | 130.6 Ų | 130.6 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | trans | -176.2 | 66.6 | 162.7 | -99.8 | 172.3 | 140.4 | 0 | 0 | 107.4 | H75 | E73-H75 WeakPolarHBondContact CG-ND1 3.17Å; E73-H75 PolarHBondContact O-N 3.04Å; E73-H75 IonicContact OE1-CE1 3.43Å; E73-H75 PolarHBondContact OE1-CE1 3.22Å; E73-H75 IonicContact OE1-ND1 3.67Å | ||
| 74 | S | 54.6 | Low | 57.8 | Low | 137 Ų | 137 | 136.1 Ų | 136.1 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -81 | 80.4 | 156.6 | -158.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 75 | H | 55.3 | Low | 56.7 | Low | 130 Ų | 130 | 135.9 Ų | 135.9 | 60% | 0.602 | 82% | 0.821 | S | S | * | * | trans | -111.2 | 111.3 | 169.4 | 59.4 | -109.8 | 0 | 0 | 0 | 110.2 | E73 | E73-H75 WeakPolarHBondContact CG-ND1 3.17Å; E73-H75 PolarHBondContact O-N 3.04Å; E73-H75 IonicContact OE1-CE1 3.43Å; E73-H75 PolarHBondContact OE1-CE1 3.22Å; E73-H75 IonicContact OE1-ND1 3.67Å | ||
| 76 | T | 57.5 | Low | 56.4 | Low | 102 Ų | 102 | 134.9 Ų | 134.9 | 63% | 0.626 | 83% | 0.83 | S | S | * | * | trans | 53.7 | 94.8 | 141.4 | -61.1 | 0 | 0 | 0 | 0 | 118.1 | H78 | T76-H78 HydrophobicContact CG2-CB 4Å; T76-H78 WeakPolarHBondContact CG2-CD2 3.49Å; T76-H78 PolarHBondContact O-N 3.01Å; T76-H78 VanDerWaalsContact O-N 3.08Å | ||
| 77 | F | 53.6 | Low | 56.3 | Low | 221 Ų | 221 | 139.1 Ų | 139.1 | 97% | 0.969 | 84% | 0.84 | S | S | * | * | trans | -65.8 | 96.4 | 148.7 | -77.3 | -91.2 | 0 | 0 | 0 | 108.9 | ||||
| 78 | H | 59.9 | Low | 56.2 | Low | 159 Ų | 159 | 132.9 Ų | 132.9 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | trans | -94.8 | 129.2 | 164.3 | -106.8 | -146.9 | 0 | 0 | 0 | 110.2 | T76 | T76-H78 HydrophobicContact CG2-CB 4Å; T76-H78 WeakPolarHBondContact CG2-CD2 3.49Å; T76-H78 PolarHBondContact O-N 3.01Å; T76-H78 VanDerWaalsContact O-N 3.08Å | ||
| 79 | S | 53.9 | Low | 56.3 | Low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 86% | 0.857 | S | S | * | * | trans | 75 | 89.9 | 143.6 | -52.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 80 | G | 60.1 | Low | 56.6 | Low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | trans | -127.8 | 143.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 81 | K | 66.2 | Low | 57.2 | Low | 207 Ų | 207 | 138.2 Ų | 138.2 | 90% | 0.9 | 85% | 0.848 | S | S | * | * | cis | -154.1 | 140.8 | 4 | -85.3 | 167.2 | 177.3 | 173.9 | 0 | 106 | ||||
| 82 | T | 58.1 | Low | 57.6 | Low | 147 Ų | 147 | 143.7 Ų | 143.7 | 90% | 0.902 | 86% | 0.857 | S | S | * | * | trans | -58.8 | 134.3 | 160.7 | -131.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 83 | G | 67.1 | Low | 57.9 | Low | 145 Ų | 145 | 144.8 Ų | 144.8 | 100% | 1.495 | 86% | 0.862 | S | S | * | * | trans | -132.8 | 0 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 83 of 83 residues in 64.8 ms
(Link to these results)