| 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 | 64.8 | Low | 86.5 | Confident | 221 Ų | 221 | 92.1 Ų | 92.1 | 100% | 1.089 | 46% | 0.46 | S | S | * | . | 0 | 119.8 | 0 | -127.4 | 79 | 105.9 | 0 | 0 | 108.3 | K3 | M1-K3 PolarHBondContact O-N 3.15Š| |||
| 2 | P | 74.4 | Confident | 86.9 | Confident | 106 Ų | 106 | 98 Ų | 98 | 69% | 0.688 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 123.8 | 175.4 | 21.9 | -25.1 | 0 | 0 | 0 | 109 | D16 | P2-D16 WeakPolarHBondContact O-CB 3.18Š|
| 3 | K | 80.2 | Confident | 87.1 | Confident | 158 Ų | 158 | 92.2 Ų | 92.2 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 125.6 | 173.3 | -68.4 | 179.6 | 179.4 | 175.5 | 0 | 106.7 | M1 Y5 Y12 | M1-K3 PolarHBondContact O-N 3.15Å; K3-Y5 PolarHBondContact O-N 3.09Å; K3-Y12 HydrophobicContact CB-CD1 4.45Å |
| 4 | F | 87.3 | Confident | 86.8 | Confident | 60 Ų | 60 | 94.4 Ų | 94.4 | 26% | 0.263 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 125.3 | 175.1 | 176.2 | -97.1 | 0 | 0 | 0 | 109.7 | C6 L13 D16 R21 | F4-C6 HydrophobicContact CE1-CB 4.03Å; F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.37Å; F4-L13 HydrophobicContact CD1-CB 4.05Å; F4-L13 HydrophobicContact CD1-CD2 3.75Å; F4-L13 HydrophobicContact CG-CD2 4.41Å; F4-L13 WeakPolarHBondContact O-CB 3.36Å; F4-L13 PolarHBondContact O-N 3.24Å; F4-D16 HydrophobicContact CB-CB 4.24Å; F4-D16 WeakPolarHBondContact CB-OD1 3.37Å; F4-R21 HydrophobicContact CB-CG 4.48Å; F4-R21 HydrophobicContact CD1-CG 4.06Å; F4-R21 HydrophobicContact CD2-CG 4.2Å; F4-R21 HydrophobicContact CE1-CG 4.31Å; F4-R21 HydrophobicContact CE2-CG 4.46Å; F4-R21 HydrophobicContact CG-CG 4Å |
| 5 | Y | 91.4 | Very high | 86.6 | Confident | 77 Ų | 77 | 96.9 Ų | 96.9 | 30% | 0.302 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.4 | 171 | -178.1 | -104.6 | 0 | 0 | 0 | 108.7 | K3 D10 Y12 | K3-Y5 PolarHBondContact O-N 3.09Å; Y5-D10 WeakPolarHBondContact OH-CA 3.32Å; Y5-D10 PolarHBondContact OH-OD1 3.44Å; Y5-D10 VanDerWaalsContact OH-OD1 3.12Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 AromaticContact CD2-CD2 3.99Å; Y5-Y12 HydrophobicContact CD2-CD2 3.99Å; Y5-Y12 AromaticContact CD2-CE1 3.62Å; Y5-Y12 HydrophobicContact CD2-CE1 3.62Å; Y5-Y12 AromaticContact CD2-CE2 3.85Å; Y5-Y12 HydrophobicContact CD2-CE2 3.85Å; Y5-Y12 AromaticContact CD2-CG 3.93Å; Y5-Y12 HydrophobicContact CD2-CG 3.93Å; Y5-Y12 AromaticContact CD2-CZ 3.67Å; Y5-Y12 HydrophobicContact CE2-CD2 4.28Å; Y5-Y12 HydrophobicContact CE2-CE1 4.49Å; Y5-Y12 AromaticContact CE2-CE2 3.98Å; Y5-Y12 HydrophobicContact CE2-CE2 3.98Å; Y5-Y12 HydrophobicContact CG-CD1 4.34Å; Y5-Y12 HydrophobicContact CG-CE1 4.09Å |
| 6 | C | 93.1 | Very high | 86.4 | Confident | 5 Ų | 5 | 94.4 Ų | 94.4 | 3% | 0.034 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.1 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | F4 Y8 C9 D10 T11 H24 H30 | F4-C6 HydrophobicContact CE1-CB 4.03Å; C6-Y8 VanDerWaalsContact C-N 3.29Å; C6-Y8 PolarHBondContact O-N 2.83Å; C6-C9 HydrophobicContact CB-CB 4.09Å; C6-C9 PolarHBondContact O-N 3.41Å; C6-D10 PolarHBondContact O-N 2.89Å; C6-T11 PolarHBondContact N-O 2.92Å; C6-T11 VanDerWaalsContact N-O 3.16Å; C6-H24 VanDerWaalsContact CB-NE2 3.31Å; C6-H24 WeakPolarHBondContact CB-NE2 3.41Å; C6-H24 PolarHBondContact SG-NE2 3.48Å; C6-H30 PolarHBondContact SG-CE1 2.9Å; C6-H30 PolarHBondContact SG-ND1 3.41Å |
| 7 | D | 93.3 | Very high | 86.5 | Confident | 120 Ų | 120 | 91.2 Ų | 91.2 | 64% | 0.642 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33.8 | -178.9 | -54.1 | -83.3 | 0 | 0 | 0 | 113 | C9 | D7-C9 VanDerWaalsContact C-N 3.26Å; D7-C9 PolarHBondContact O-N 3.39Å |
| 8 | Y | 92.1 | Very high | 86.5 | Confident | 85 Ų | 85 | 91.2 Ų | 91.2 | 33% | 0.333 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.2 | 176.9 | -56.2 | -68.2 | 0 | 0 | 0 | 113.5 | C6 H30 N33 V34 Y37 | C6-Y8 VanDerWaalsContact C-N 3.29Å; C6-Y8 PolarHBondContact O-N 2.83Å; Y8-H30 AromaticContact CD2-CE1 3.69Å; Y8-N33 WeakPolarHBondContact O-CB 3.39Å; Y8-N33 PolarHBondContact O-ND2 3.47Å; Y8-V34 HydrophobicContact CD1-CG2 3.92Å; Y8-V34 HydrophobicContact CD2-CG2 3.7Å; Y8-V34 HydrophobicContact CE1-CG2 4.37Å; Y8-V34 HydrophobicContact CE2-CG2 4.17Å; Y8-V34 HydrophobicContact CG-CG2 3.55Å; Y8-Y37 HydrophobicContact CD1-CD1 4.41Å; Y8-Y37 HydrophobicContact CD1-CG 4.19Å; Y8-Y37 AromaticContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CE1 4.3Å; Y8-Y37 HydrophobicContact CE1-CG 4.21Å |
| 9 | C | 93.1 | Very high | 86.5 | Confident | 10 Ų | 10 | 90.8 Ų | 90.8 | 7% | 0.068 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -9.8 | -174.2 | -70.9 | 0 | 0 | 0 | 0 | 112.7 | C6 D7 T11 H24 | C6-C9 HydrophobicContact CB-CB 4.09Å; C6-C9 PolarHBondContact O-N 3.41Å; D7-C9 VanDerWaalsContact C-N 3.26Å; D7-C9 PolarHBondContact O-N 3.39Å; C9-T11 HydrophobicContact CB-CG2 4.27Å; C9-T11 WeakPolarHBondContact O-CG2 3.15Å; C9-T11 PolarHBondContact O-N 3.38Å; C9-T11 VanDerWaalsContact O-N 3.16Å; C9-H24 PolarHBondContact SG-NE2 3.5Å |
| 10 | D | 92.1 | Very high | 86.7 | Confident | 122 Ų | 122 | 88.5 Ų | 88.5 | 65% | 0.652 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 34.6 | -168.3 | -64.9 | -37.5 | 0 | 0 | 0 | 113.6 | Y5 C6 | Y5-D10 WeakPolarHBondContact OH-CA 3.32Å; Y5-D10 PolarHBondContact OH-OD1 3.44Å; Y5-D10 VanDerWaalsContact OH-OD1 3.12Å; C6-D10 PolarHBondContact O-N 2.89Å |
| 11 | T | 90.3 | Very high | 87 | Confident | 49 Ų | 49 | 88.2 Ų | 88.2 | 30% | 0.301 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.3 | -175.1 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | C6 C9 | C6-T11 PolarHBondContact N-O 2.92Å; C6-T11 VanDerWaalsContact N-O 3.16Å; C9-T11 HydrophobicContact CB-CG2 4.27Å; C9-T11 WeakPolarHBondContact O-CG2 3.15Å; C9-T11 PolarHBondContact O-N 3.38Å; C9-T11 VanDerWaalsContact O-N 3.16Å |
| 12 | Y | 90.6 | Very high | 88.2 | Confident | 163 Ų | 163 | 85.3 Ų | 85.3 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 134.9 | 166.4 | -67.7 | -82.8 | 0 | 0 | 0 | 111.1 | K3 Y5 | K3-Y12 HydrophobicContact CB-CD1 4.45Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 AromaticContact CD2-CD2 3.99Å; Y5-Y12 HydrophobicContact CD2-CD2 3.99Å; Y5-Y12 AromaticContact CD2-CE1 3.62Å; Y5-Y12 HydrophobicContact CD2-CE1 3.62Å; Y5-Y12 AromaticContact CD2-CE2 3.85Å; Y5-Y12 HydrophobicContact CD2-CE2 3.85Å; Y5-Y12 AromaticContact CD2-CG 3.93Å; Y5-Y12 HydrophobicContact CD2-CG 3.93Å; Y5-Y12 AromaticContact CD2-CZ 3.67Å; Y5-Y12 HydrophobicContact CE2-CD2 4.28Å; Y5-Y12 HydrophobicContact CE2-CE1 4.49Å; Y5-Y12 AromaticContact CE2-CE2 3.98Å; Y5-Y12 HydrophobicContact CE2-CE2 3.98Å; Y5-Y12 HydrophobicContact CG-CD1 4.34Å; Y5-Y12 HydrophobicContact CG-CE1 4.09Å |
| 13 | L | 89.5 | Confident | 89.1 | Confident | 23 Ų | 23 | 84.4 Ų | 84.4 | 12% | 0.12 | 43% | 0.428 | C | S | . | . | trans | -85.9 | 127.3 | 174.3 | -161.4 | 59.4 | 0 | 0 | 0 | 109.8 | F4 H15 V20 R21 H24 | F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.37Å; F4-L13 HydrophobicContact CD1-CB 4.05Å; F4-L13 HydrophobicContact CD1-CD2 3.75Å; F4-L13 HydrophobicContact CG-CD2 4.41Å; F4-L13 WeakPolarHBondContact O-CB 3.36Å; F4-L13 PolarHBondContact O-N 3.24Å; L13-H15 VanDerWaalsContact C-N 3.29Å; L13-H15 PolarHBondContact O-N 2.97Å; L13-V20 HydrophobicContact CD1-CG1 3.61Å; L13-V20 HydrophobicContact CD2-CB 4.27Å; L13-V20 HydrophobicContact CD2-CG1 3.61Å; L13-V20 HydrophobicContact CG-CG1 3.66Å; L13-R21 HydrophobicContact CD2-CG 3.98Å; L13-H24 HydrophobicContact CD1-CB 4.47Å | ||
| 14 | T | 83.8 | Confident | 89.8 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -67.5 | -29.1 | -174.5 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 15 | H | 83.4 | Confident | 90 | Very high | 132 Ų | 132 | 78.3 Ų | 78.3 | 61% | 0.611 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -133 | 116.7 | 175.6 | -64.7 | -70.3 | 0 | 0 | 0 | 110.6 | L13 S17 | L13-H15 VanDerWaalsContact C-N 3.29Å; L13-H15 PolarHBondContact O-N 2.97Å; H15-S17 VanDerWaalsContact C-N 3.26Å; H15-S17 PolarHBondContact O-N 2.95Å |
| 16 | D | 83.6 | Confident | 90.1 | Very high | 58 Ų | 58 | 77.6 Ų | 77.6 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | trans | -84.3 | 67 | 178.2 | -169.8 | 31.8 | 0 | 0 | 0 | 111.9 | P2 F4 R21 | P2-D16 WeakPolarHBondContact O-CB 3.18Å; F4-D16 HydrophobicContact CB-CB 4.24Å; F4-D16 WeakPolarHBondContact CB-OD1 3.37Å; D16-R21 VanDerWaalsContact OD1-CD 3.3Å; D16-R21 WeakPolarHBondContact OD1-CD 3.43Å; D16-R21 IonicContact OD1-CZ 3.03Å; D16-R21 IonicContact OD1-NE 2.6Å; D16-R21 IonicContact OD1-NH1 3.53Å; D16-R21 PolarHBondContact OD1-NH1 2.85Å; D16-R21 IonicContact OD2-NH1 3.78Å; D16-R21 PolarHBondContact OD2-NH1 3.31Å | ||
| 17 | S | 87.1 | Confident | 90.2 | Very high | 40 Ų | 40 | 78.5 Ų | 78.5 | 28% | 0.28 | 42% | 0.424 | S | S | . | . | trans | -105 | 148.6 | 171.9 | 80.8 | 0 | 0 | 0 | 0 | 110.5 | H15 S19 V20 R21 | H15-S17 VanDerWaalsContact C-N 3.26Å; H15-S17 PolarHBondContact O-N 2.95Å; S17-S19 PolarHBondContact O-N 3.22Å; S17-V20 PolarHBondContact O-N 2.83Å; S17-V20 WeakPolarHBondContact OG-CB 3.32Å; S17-V20 WeakPolarHBondContact OG-CG2 3.43Å; S17-V20 PolarHBondContact OG-N 3.17Å; S17-R21 PolarHBondContact O-N 2.79Å | ||
| 18 | P | 86.7 | Confident | 90.3 | Very high | 90 Ų | 90 | 82 Ų | 82 | 58% | 0.584 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.2 | -33.1 | 179.6 | 21.9 | -32.5 | 0 | 0 | 0 | 112.4 | K22 | P18-K22 WeakPolarHBondContact O-CB 3.36Å; P18-K22 PolarHBondContact O-N 3.15Å |
| 19 | S | 87.8 | Confident | 90.4 | Very high | 85 Ų | 85 | 83.9 Ų | 83.9 | 59% | 0.594 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66 | -44.9 | 174.4 | -55 | 0 | 0 | 0 | 0 | 111.8 | S17 K22 T23 | S17-S19 PolarHBondContact O-N 3.22Å; S19-K22 PolarHBondContact O-N 2.72Å; S19-T23 WeakPolarHBondContact O-CG2 3.22Å; S19-T23 PolarHBondContact O-N 2.91Å; S19-T23 PolarHBondContact O-OG1 3.46Å |
| 20 | V | 90.5 | Very high | 90.5 | Very high | 44 Ų | 44 | 84.6 Ų | 84.6 | 27% | 0.267 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 180 | -178.3 | 0 | 0 | 0 | 0 | 111 | L13 S17 T23 H24 | L13-V20 HydrophobicContact CD1-CG1 3.61Å; L13-V20 HydrophobicContact CD2-CB 4.27Å; L13-V20 HydrophobicContact CD2-CG1 3.61Å; L13-V20 HydrophobicContact CG-CG1 3.66Å; S17-V20 PolarHBondContact O-N 2.83Å; S17-V20 WeakPolarHBondContact OG-CB 3.32Å; S17-V20 WeakPolarHBondContact OG-CG2 3.43Å; S17-V20 PolarHBondContact OG-N 3.17Å; V20-T23 WeakPolarHBondContact CA-OG1 3.48Å; V20-T23 PolarHBondContact O-N 2.9Å; V20-T23 PolarHBondContact O-OG1 2.8Å; V20-H24 VanDerWaalsContact O-CB 3.29Å; V20-H24 WeakPolarHBondContact O-CB 3.48Å; V20-H24 PolarHBondContact O-N 3.03Å |
| 21 | R | 91.1 | Very high | 90.6 | Very high | 82 Ų | 82 | 84.1 Ų | 84.1 | 31% | 0.309 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 171.5 | -70.3 | -168.2 | -61.8 | -107.9 | 2.4 | 111.3 | F4 L13 D16 S17 T23 H24 C25 | F4-R21 HydrophobicContact CB-CG 4.48Å; F4-R21 HydrophobicContact CD1-CG 4.06Å; F4-R21 HydrophobicContact CD2-CG 4.2Å; F4-R21 HydrophobicContact CE1-CG 4.31Å; F4-R21 HydrophobicContact CE2-CG 4.46Å; F4-R21 HydrophobicContact CG-CG 4Å; L13-R21 HydrophobicContact CD2-CG 3.98Å; D16-R21 VanDerWaalsContact OD1-CD 3.3Å; D16-R21 WeakPolarHBondContact OD1-CD 3.43Å; D16-R21 IonicContact OD1-CZ 3.03Å; D16-R21 IonicContact OD1-NE 2.6Å; D16-R21 IonicContact OD1-NH1 3.53Å; D16-R21 PolarHBondContact OD1-NH1 2.85Å; D16-R21 IonicContact OD2-NH1 3.78Å; D16-R21 PolarHBondContact OD2-NH1 3.31Å; S17-R21 PolarHBondContact O-N 2.79Å; R21-T23 PolarHBondContact O-N 3.49Å; R21-H24 PolarHBondContact O-N 3.22Å; R21-C25 PolarHBondContact O-N 3.1Å; R21-C25 PolarHBondContact O-SG 3.23Å |
| 22 | K | 91.6 | Very high | 90.8 | Very high | 160 Ų | 160 | 86.4 Ų | 86.4 | 70% | 0.696 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.7 | -45.6 | 177.5 | -175.1 | 178.4 | -74.7 | -175 | 0 | 111.5 | P18 S19 S26 | P18-K22 WeakPolarHBondContact O-CB 3.36Å; P18-K22 PolarHBondContact O-N 3.15Å; S19-K22 PolarHBondContact O-N 2.72Å; K22-S26 VanDerWaalsContact O-CB 3.26Å; K22-S26 WeakPolarHBondContact O-CB 3.1Å; K22-S26 PolarHBondContact O-N 2.94Å; K22-S26 PolarHBondContact O-OG 3.01Å |
| 23 | T | 93.4 | Very high | 91 | Very high | 88 Ų | 88 | 80.9 Ų | 80.9 | 54% | 0.54 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | S19 V20 R21 S26 G27 | S19-T23 WeakPolarHBondContact O-CG2 3.22Å; S19-T23 PolarHBondContact O-N 2.91Å; S19-T23 PolarHBondContact O-OG1 3.46Å; V20-T23 WeakPolarHBondContact CA-OG1 3.48Å; V20-T23 PolarHBondContact O-N 2.9Å; V20-T23 PolarHBondContact O-OG1 2.8Å; R21-T23 PolarHBondContact O-N 3.49Å; T23-S26 WeakPolarHBondContact CA-OG 3.48Å; T23-S26 PolarHBondContact O-OG 3.43Å; T23-S26 VanDerWaalsContact O-OG 3.09Å; T23-G27 PolarHBondContact O-N 3.34Å |
| 24 | H | 93.9 | Very high | 91.2 | Very high | 37 Ų | 37 | 81.4 Ų | 81.4 | 17% | 0.171 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.7 | -55.2 | 173.9 | -179.8 | 85.6 | 0 | 0 | 0 | 112.2 | C6 C9 L13 V20 R21 S26 G27 H30 | C6-H24 VanDerWaalsContact CB-NE2 3.31Å; C6-H24 WeakPolarHBondContact CB-NE2 3.41Å; C6-H24 PolarHBondContact SG-NE2 3.48Å; C9-H24 PolarHBondContact SG-NE2 3.5Å; L13-H24 HydrophobicContact CD1-CB 4.47Å; V20-H24 VanDerWaalsContact O-CB 3.29Å; V20-H24 WeakPolarHBondContact O-CB 3.48Å; V20-H24 PolarHBondContact O-N 3.03Å; R21-H24 PolarHBondContact O-N 3.22Å; H24-S26 VanDerWaalsContact C-N 3.29Å; H24-S26 PolarHBondContact O-N 3.25Å; H24-G27 PolarHBondContact O-N 3.02Å; H24-H30 AromaticContact CD2-ND1 3.73Å; H24-H30 AromaticContact NE2-ND1 3.5Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.36Å |
| 25 | C | 91.7 | Very high | 91.7 | Very high | 53 Ų | 53 | 82.6 Ų | 82.6 | 36% | 0.358 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.6 | -32.7 | -178 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | R21 G27 H30 | R21-C25 PolarHBondContact O-N 3.1Å; R21-C25 PolarHBondContact O-SG 3.23Å; C25-G27 VanDerWaalsContact C-N 3.25Å; C25-G27 PolarHBondContact O-N 3.18Å; C25-H30 PolarHBondContact O-CD2 3.38Å; C25-H30 VanDerWaalsContact O-CD2 3.26Å |
| 26 | S | 94.1 | Very high | 92.1 | Very high | 62 Ų | 62 | 80.1 Ų | 80.1 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -77.3 | -12.5 | 174.8 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | K22 T23 H24 K31 | K22-S26 VanDerWaalsContact O-CB 3.26Å; K22-S26 WeakPolarHBondContact O-CB 3.1Å; K22-S26 PolarHBondContact O-N 2.94Å; K22-S26 PolarHBondContact O-OG 3.01Å; T23-S26 WeakPolarHBondContact CA-OG 3.48Å; T23-S26 PolarHBondContact O-OG 3.43Å; T23-S26 VanDerWaalsContact O-OG 3.09Å; H24-S26 VanDerWaalsContact C-N 3.29Å; H24-S26 PolarHBondContact O-N 3.25Å; S26-K31 VanDerWaalsContact O-CE 3.24Å; S26-K31 WeakPolarHBondContact O-CE 3.48Å; S26-K31 PolarHBondContact O-NZ 2.84Å |
| 27 | G | 94.3 | Very high | 92.6 | Very high | 24 Ų | 24 | 83.5 Ų | 83.5 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -66.7 | 152.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T23 H24 C25 K29 H30 K31 | T23-G27 PolarHBondContact O-N 3.34Å; H24-G27 PolarHBondContact O-N 3.02Å; C25-G27 VanDerWaalsContact C-N 3.25Å; C25-G27 PolarHBondContact O-N 3.18Å; G27-K29 PolarHBondContact O-N 2.98Å; G27-H30 PolarHBondContact O-N 2.93Å; G27-K31 PolarHBondContact O-N 3.17Å; G27-K31 VanDerWaalsContact O-N 3.15Å |
| 28 | R | 94.8 | Very high | 92.7 | Very high | 192 Ų | 192 | 87 Ų | 87 | 73% | 0.725 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.2 | -48.8 | -176.5 | -164.9 | -172.3 | -51.2 | 110.7 | 4.8 | 112.1 | H30 K31 E32 | R28-H30 VanDerWaalsContact C-N 3.33Å; R28-H30 PolarHBondContact O-N 3.26Å; R28-K31 PolarHBondContact O-N 3Å; R28-E32 WeakPolarHBondContact CD-OE1 3.37Å; R28-E32 HydrophobicContact CG-CG 4.44Å; R28-E32 VanDerWaalsContact CG-OE1 3.28Å; R28-E32 WeakPolarHBondContact CG-OE1 3.38Å; R28-E32 WeakPolarHBondContact O-CG 3.22Å; R28-E32 PolarHBondContact O-N 3.24Å |
| 29 | K | 94.3 | Very high | 92.8 | Very high | 125 Ų | 125 | 88.5 Ų | 88.5 | 54% | 0.543 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.1 | -45.6 | 179.4 | -175.3 | -179.6 | 177.6 | -174.1 | 0 | 112.2 | G27 E32 N33 | G27-K29 PolarHBondContact O-N 2.98Å; K29-E32 PolarHBondContact O-N 2.86Å; K29-N33 WeakPolarHBondContact O-CB 3.38Å; K29-N33 VanDerWaalsContact O-CG 3.27Å; K29-N33 PolarHBondContact O-N 3.06Å; K29-N33 PolarHBondContact O-OD1 3.02Å |
| 30 | H | 95.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 90.8 Ų | 90.8 | 12% | 0.116 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.9 | -47 | 178.7 | -178.3 | 91.2 | 0 | 0 | 0 | 111.3 | C6 Y8 H24 C25 G27 R28 E32 N33 V34 | C6-H30 PolarHBondContact SG-CE1 2.9Å; C6-H30 PolarHBondContact SG-ND1 3.41Å; Y8-H30 AromaticContact CD2-CE1 3.69Å; H24-H30 AromaticContact CD2-ND1 3.73Å; H24-H30 AromaticContact NE2-ND1 3.5Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.36Å; C25-H30 PolarHBondContact O-CD2 3.38Å; C25-H30 VanDerWaalsContact O-CD2 3.26Å; G27-H30 PolarHBondContact O-N 2.93Å; R28-H30 VanDerWaalsContact C-N 3.33Å; R28-H30 PolarHBondContact O-N 3.26Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 3.21Å; H30-N33 PolarHBondContact O-N 3.34Å; H30-V34 WeakPolarHBondContact O-CB 3.29Å; H30-V34 WeakPolarHBondContact O-CG2 3.39Å; H30-V34 PolarHBondContact O-N 3.38Å |
| 31 | K | 95.1 | Very high | 92.7 | Very high | 113 Ų | 113 | 94.3 Ų | 94.3 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 178.9 | -72.3 | 171.4 | 173.7 | 163.7 | 0 | 113.2 | S26 G27 R28 K35 | S26-K31 VanDerWaalsContact O-CE 3.24Å; S26-K31 WeakPolarHBondContact O-CE 3.48Å; S26-K31 PolarHBondContact O-NZ 2.84Å; G27-K31 PolarHBondContact O-N 3.17Å; G27-K31 VanDerWaalsContact O-N 3.15Å; R28-K31 PolarHBondContact O-N 3Å; K31-K35 WeakPolarHBondContact O-CG 3.46Å; K31-K35 PolarHBondContact O-N 3.19Å; K31-K35 VanDerWaalsContact O-N 3.15Å |
| 32 | E | 94.5 | Very high | 92.3 | Very high | 96 Ų | 96 | 95.7 Ų | 95.7 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.7 | -49.6 | 175.9 | -74.1 | 167.7 | 175.3 | 0 | 0 | 110.6 | R28 K29 H30 V34 K35 D36 | R28-E32 WeakPolarHBondContact CD-OE1 3.37Å; R28-E32 HydrophobicContact CG-CG 4.44Å; R28-E32 VanDerWaalsContact CG-OE1 3.28Å; R28-E32 WeakPolarHBondContact CG-OE1 3.38Å; R28-E32 WeakPolarHBondContact O-CG 3.22Å; R28-E32 PolarHBondContact O-N 3.24Å; K29-E32 PolarHBondContact O-N 2.86Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 3.21Å; E32-V34 VanDerWaalsContact C-N 3.29Å; E32-V34 PolarHBondContact O-N 3.14Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.09Å; E32-D36 PolarHBondContact O-N 3.11Å |
| 33 | N | 94.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 93.7 Ų | 93.7 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 177.9 | -73.4 | 14.8 | 0 | 0 | 0 | 113.1 | Y8 K29 H30 K35 D36 Y37 | Y8-N33 WeakPolarHBondContact O-CB 3.39Å; Y8-N33 PolarHBondContact O-ND2 3.47Å; K29-N33 WeakPolarHBondContact O-CB 3.38Å; K29-N33 VanDerWaalsContact O-CG 3.27Å; K29-N33 PolarHBondContact O-N 3.06Å; K29-N33 PolarHBondContact O-OD1 3.02Å; H30-N33 PolarHBondContact O-N 3.34Å; N33-K35 VanDerWaalsContact C-N 3.35Å; N33-D36 PolarHBondContact O-N 3.44Å; N33-Y37 VanDerWaalsContact O-CB 3.22Å; N33-Y37 WeakPolarHBondContact O-CB 3.28Å; N33-Y37 PolarHBondContact O-N 3.27Å |
| 34 | V | 94.3 | Very high | 90.9 | Very high | 34 Ų | 34 | 96.3 Ų | 96.3 | 21% | 0.206 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.7 | 170 | 0 | 0 | 0 | 0 | 110.7 | Y8 H30 E32 Y38 | Y8-V34 HydrophobicContact CD1-CG2 3.92Å; Y8-V34 HydrophobicContact CD2-CG2 3.7Å; Y8-V34 HydrophobicContact CE1-CG2 4.37Å; Y8-V34 HydrophobicContact CE2-CG2 4.17Å; Y8-V34 HydrophobicContact CG-CG2 3.55Å; H30-V34 WeakPolarHBondContact O-CB 3.29Å; H30-V34 WeakPolarHBondContact O-CG2 3.39Å; H30-V34 PolarHBondContact O-N 3.38Å; E32-V34 VanDerWaalsContact C-N 3.29Å; E32-V34 PolarHBondContact O-N 3.14Å; V34-Y38 HydrophobicContact CG1-CD2 4.09Å; V34-Y38 HydrophobicContact CG1-CE2 3.91Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 3.39Å |
| 35 | K | 93.8 | Very high | 90.1 | Very high | 147 Ų | 147 | 99.4 Ų | 99.4 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.9 | -49 | 175.4 | -73.2 | 174.5 | 179.6 | -174.2 | 0 | 111.3 | K31 E32 N33 Y37 Y38 Q39 | K31-K35 WeakPolarHBondContact O-CG 3.46Å; K31-K35 PolarHBondContact O-N 3.19Å; K31-K35 VanDerWaalsContact O-N 3.15Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.09Å; N33-K35 VanDerWaalsContact C-N 3.35Å; K35-Y37 VanDerWaalsContact C-N 3.26Å; K35-Y37 PolarHBondContact O-N 3.14Å; K35-Y38 PolarHBondContact O-N 3.16Å; K35-Q39 WeakPolarHBondContact O-CB 3.37Å; K35-Q39 PolarHBondContact O-N 3Å |
| 36 | D | 92.2 | Very high | 89.2 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 43% | 0.428 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -36.1 | -179.8 | -71.3 | -5.2 | 0 | 0 | 0 | 111.9 | E32 N33 Q39 K40 | E32-D36 PolarHBondContact O-N 3.11Å; N33-D36 PolarHBondContact O-N 3.44Å; D36-Q39 PolarHBondContact O-N 2.86Å; D36-K40 WeakPolarHBondContact O-CB 3.31Å; D36-K40 VanDerWaalsContact O-CG 3.29Å; D36-K40 WeakPolarHBondContact O-CG 3.18Å; D36-K40 PolarHBondContact O-N 3.35Å |
| 37 | Y | 92.4 | Very high | 88.4 | Confident | 128 Ų | 128 | 100.6 Ų | 100.6 | 50% | 0.502 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 174.7 | 176.3 | -94.4 | 0 | 0 | 0 | 111.3 | Y8 N33 K35 W41 | Y8-Y37 HydrophobicContact CD1-CD1 4.41Å; Y8-Y37 HydrophobicContact CD1-CG 4.19Å; Y8-Y37 AromaticContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CE1 4.3Å; Y8-Y37 HydrophobicContact CE1-CG 4.21Å; N33-Y37 VanDerWaalsContact O-CB 3.22Å; N33-Y37 WeakPolarHBondContact O-CB 3.28Å; N33-Y37 PolarHBondContact O-N 3.27Å; K35-Y37 VanDerWaalsContact C-N 3.26Å; K35-Y37 PolarHBondContact O-N 3.14Å; Y37-W41 WeakPolarHBondContact O-CB 3.17Å; Y37-W41 PolarHBondContact O-N 2.86Å |
| 38 | Y | 90.7 | Very high | 87.6 | Confident | 115 Ų | 115 | 101.8 Ų | 101.8 | 45% | 0.451 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.5 | -31.9 | 178.4 | -72.6 | -65.3 | 0 | 0 | 0 | 112.9 | V34 K35 W41 M42 | V34-Y38 HydrophobicContact CG1-CD2 4.09Å; V34-Y38 HydrophobicContact CG1-CE2 3.91Å; V34-Y38 WeakPolarHBondContact O-CD2 3.4Å; V34-Y38 PolarHBondContact O-N 3.39Å; K35-Y38 PolarHBondContact O-N 3.16Å; Y38-W41 HydrophobicContact CD1-CE3 4.46Å; Y38-W41 PolarHBondContact O-N 2.89Å; Y38-M42 WeakPolarHBondContact O-CG 3.39Å; Y38-M42 PolarHBondContact O-N 3.12Å; Y38-M42 VanDerWaalsContact O-N 3.14Å |
| 39 | Q | 88.9 | Confident | 86.7 | Confident | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.561 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.6 | -53.2 | 173.9 | -173.6 | 97.4 | 49.7 | 0 | 0 | 110.7 | K35 D36 W41 M42 E43 | K35-Q39 WeakPolarHBondContact O-CB 3.37Å; K35-Q39 PolarHBondContact O-N 3Å; D36-Q39 PolarHBondContact O-N 2.86Å; Q39-W41 VanDerWaalsContact C-N 3.29Å; Q39-W41 PolarHBondContact O-N 3.12Å; Q39-M42 PolarHBondContact O-N 3.27Å; Q39-M42 VanDerWaalsContact O-N 3.14Å; Q39-E43 PolarHBondContact O-N 3.26Å; Q39-E43 VanDerWaalsContact O-N 3.09Å |
| 40 | K | 87.5 | Confident | 85.9 | Confident | 133 Ų | 133 | 96.1 Ų | 96.1 | 58% | 0.578 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.4 | -36.8 | 178 | -72 | 172.3 | -177.2 | 173 | 0 | 112.1 | D36 M42 E43 E44 | D36-K40 WeakPolarHBondContact O-CB 3.31Å; D36-K40 VanDerWaalsContact O-CG 3.29Å; D36-K40 WeakPolarHBondContact O-CG 3.18Å; D36-K40 PolarHBondContact O-N 3.35Å; K40-M42 VanDerWaalsContact C-N 3.28Å; K40-M42 PolarHBondContact O-N 3.45Å; K40-E43 PolarHBondContact O-N 2.92Å; K40-E44 WeakPolarHBondContact O-CB 3.43Å; K40-E44 PolarHBondContact O-N 3.41Å |
| 41 | W | 88.3 | Confident | 85.2 | Confident | 119 Ų | 119 | 99.1 Ų | 99.1 | 45% | 0.451 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 176 | -177.2 | 64.7 | 0 | 0 | 0 | 112.5 | Y37 Y38 Q39 Q45 | Y37-W41 WeakPolarHBondContact O-CB 3.17Å; Y37-W41 PolarHBondContact O-N 2.86Å; Y38-W41 HydrophobicContact CD1-CE3 4.46Å; Y38-W41 PolarHBondContact O-N 2.89Å; Q39-W41 VanDerWaalsContact C-N 3.29Å; Q39-W41 PolarHBondContact O-N 3.12Å; W41-Q45 PolarHBondContact O-N 3.26Å; W41-Q45 VanDerWaalsContact O-N 3.17Å |
| 42 | M | 82.6 | Confident | 84.2 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71 | -39.2 | 174 | -65.2 | -60.9 | 179.7 | 0 | 0 | 112.3 | Y38 Q39 K40 E44 Q45 A46 | Y38-M42 WeakPolarHBondContact O-CG 3.39Å; Y38-M42 PolarHBondContact O-N 3.12Å; Y38-M42 VanDerWaalsContact O-N 3.14Å; Q39-M42 PolarHBondContact O-N 3.27Å; Q39-M42 VanDerWaalsContact O-N 3.14Å; K40-M42 VanDerWaalsContact C-N 3.28Å; K40-M42 PolarHBondContact O-N 3.45Å; M42-E44 VanDerWaalsContact C-N 3.35Å; M42-Q45 PolarHBondContact O-N 3.16Å; M42-A46 PolarHBondContact O-N 2.82Å |
| 43 | E | 80.3 | Confident | 83.1 | Confident | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.8 | -40.4 | 174.7 | -71.1 | 174.4 | -176.8 | 0 | 0 | 111.8 | Q39 K40 A46 Q47 | Q39-E43 PolarHBondContact O-N 3.26Å; Q39-E43 VanDerWaalsContact O-N 3.09Å; K40-E43 PolarHBondContact O-N 2.92Å; E43-A46 PolarHBondContact O-N 3.31Å; E43-Q47 WeakPolarHBondContact O-CB 3.17Å; E43-Q47 PolarHBondContact O-N 3.04Å |
| 44 | E | 76.4 | Confident | 82.1 | Confident | 143 Ų | 143 | 100.4 Ų | 100.4 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 177.1 | -167.2 | -178.6 | 131 | 0 | 0 | 111.9 | K40 M42 Q47 S48 | K40-E44 WeakPolarHBondContact O-CB 3.43Å; K40-E44 PolarHBondContact O-N 3.41Å; M42-E44 VanDerWaalsContact C-N 3.35Å; E44-Q47 PolarHBondContact O-N 3.45Å; E44-S48 PolarHBondContact O-N 3.47Å |
| 45 | Q | 75.3 | Confident | 80.9 | Confident | 102 Ų | 102 | 100.7 Ų | 100.7 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 172.2 | -84.5 | -148.2 | 88.5 | 0 | 0 | 112.3 | W41 M42 S48 L49 | W41-Q45 PolarHBondContact O-N 3.26Å; W41-Q45 VanDerWaalsContact O-N 3.17Å; M42-Q45 PolarHBondContact O-N 3.16Å; Q45-S48 PolarHBondContact O-N 2.86Å; Q45-L49 WeakPolarHBondContact O-CG 3.3Å; Q45-L49 PolarHBondContact O-N 2.9Å |
| 46 | A | 72.9 | Confident | 79.5 | Confident | 49 Ų | 49 | 95.5 Ų | 95.5 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M42 E43 S48 L49 I50 | M42-A46 PolarHBondContact O-N 2.82Å; E43-A46 PolarHBondContact O-N 3.31Å; A46-S48 PolarHBondContact O-N 3.3Å; A46-L49 WeakPolarHBondContact O-CB 3.38Å; A46-L49 PolarHBondContact O-N 3.46Å; A46-I50 WeakPolarHBondContact O-CG1 3.1Å; A46-I50 PolarHBondContact O-N 3.05Å |
| 47 | Q | 78.1 | Confident | 78 | Confident | 92 Ų | 92 | 97 Ų | 97 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.7 | -167.5 | 60.9 | 52.8 | 0 | 0 | 111.6 | E43 E44 L49 I50 D51 | E43-Q47 WeakPolarHBondContact O-CB 3.17Å; E43-Q47 PolarHBondContact O-N 3.04Å; E44-Q47 PolarHBondContact O-N 3.45Å; Q47-L49 PolarHBondContact O-N 3.36Å; Q47-I50 PolarHBondContact O-N 3.15Å; Q47-I50 VanDerWaalsContact O-N 3.1Å; Q47-D51 PolarHBondContact NE2-OD1 2.6Å; Q47-D51 WeakPolarHBondContact O-CB 3.17Å; Q47-D51 PolarHBondContact O-N 3.05Å |
| 48 | S | 77.4 | Confident | 76.7 | Confident | 48 Ų | 48 | 98.1 Ų | 98.1 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.7 | -37.1 | 174.5 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | E44 Q45 A46 K52 | E44-S48 PolarHBondContact O-N 3.47Å; Q45-S48 PolarHBondContact O-N 2.86Å; A46-S48 PolarHBondContact O-N 3.3Å; S48-K52 WeakPolarHBondContact O-CB 3.29Å; S48-K52 WeakPolarHBondContact O-CD 3.41Å; S48-K52 VanDerWaalsContact O-CG 3.22Å; S48-K52 WeakPolarHBondContact O-CG 3.33Å; S48-K52 PolarHBondContact O-N 3.02Å; S48-K52 VanDerWaalsContact O-N 3.15Å; S48-K52 PolarHBondContact OG-NZ 3.26Å; S48-K52 VanDerWaalsContact OG-NZ 3.17Å |
| 49 | L | 75 | Confident | 75.3 | Confident | 112 Ų | 112 | 99.2 Ų | 99.2 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.2 | -39.7 | 176 | -69.6 | 169.5 | 0 | 0 | 0 | 112.1 | Q45 A46 Q47 T53 | Q45-L49 WeakPolarHBondContact O-CG 3.3Å; Q45-L49 PolarHBondContact O-N 2.9Å; A46-L49 WeakPolarHBondContact O-CB 3.38Å; A46-L49 PolarHBondContact O-N 3.46Å; Q47-L49 PolarHBondContact O-N 3.36Å; L49-T53 WeakPolarHBondContact O-CB 3.43Å; L49-T53 PolarHBondContact O-N 2.96Å; L49-T53 PolarHBondContact O-OG1 2.87Å |
| 50 | I | 78.4 | Confident | 73.8 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 176 | -66.8 | 164.9 | 0 | 0 | 0 | 110.3 | A46 Q47 K52 T53 T54 | A46-I50 WeakPolarHBondContact O-CG1 3.1Å; A46-I50 PolarHBondContact O-N 3.05Å; Q47-I50 PolarHBondContact O-N 3.15Å; Q47-I50 VanDerWaalsContact O-N 3.1Å; I50-K52 PolarHBondContact O-N 3.28Å; I50-T53 PolarHBondContact O-N 3.39Å; I50-T54 VanDerWaalsContact O-CB 3.32Å; I50-T54 WeakPolarHBondContact O-CB 3.43Å; I50-T54 PolarHBondContact O-N 3.39Å; I50-T54 PolarHBondContact O-OG1 3.27Å |
| 51 | D | 80.7 | Confident | 72.2 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | -179.4 | -65.7 | -17.3 | 0 | 0 | 0 | 111.2 | Q47 T53 T54 A55 | Q47-D51 PolarHBondContact NE2-OD1 2.6Å; Q47-D51 WeakPolarHBondContact O-CB 3.17Å; Q47-D51 PolarHBondContact O-N 3.05Å; D51-T53 PolarHBondContact O-N 2.89Å; D51-T54 PolarHBondContact O-N 3.03Å; D51-A55 WeakPolarHBondContact O-CB 3.13Å; D51-A55 PolarHBondContact O-N 3.35Å |
| 52 | K | 74.7 | Confident | 70.7 | Confident | 134 Ų | 134 | 97.2 Ų | 97.2 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 174.2 | -74.2 | 166.6 | -176.3 | 156.4 | 0 | 112.2 | S48 I50 A56 | S48-K52 WeakPolarHBondContact O-CB 3.29Å; S48-K52 WeakPolarHBondContact O-CD 3.41Å; S48-K52 VanDerWaalsContact O-CG 3.22Å; S48-K52 WeakPolarHBondContact O-CG 3.33Å; S48-K52 PolarHBondContact O-N 3.02Å; S48-K52 VanDerWaalsContact O-N 3.15Å; S48-K52 PolarHBondContact OG-NZ 3.26Å; S48-K52 VanDerWaalsContact OG-NZ 3.17Å; I50-K52 PolarHBondContact O-N 3.28Å; K52-A56 VanDerWaalsContact O-CB 3.32Å; K52-A56 WeakPolarHBondContact O-CB 3.49Å; K52-A56 PolarHBondContact O-N 2.91Å |
| 53 | T | 71 | Confident | 69.3 | Low | 90 Ų | 90 | 96.6 Ų | 96.6 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.5 | -41.2 | 179.9 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | L49 I50 D51 A56 F57 | L49-T53 WeakPolarHBondContact O-CB 3.43Å; L49-T53 PolarHBondContact O-N 2.96Å; L49-T53 PolarHBondContact O-OG1 2.87Å; I50-T53 PolarHBondContact O-N 3.39Å; D51-T53 PolarHBondContact O-N 2.89Å; T53-A56 PolarHBondContact O-N 3.47Å; T53-F57 WeakPolarHBondContact O-CB 3.28Å; T53-F57 PolarHBondContact O-N 3.18Å |
| 54 | T | 72.4 | Confident | 68 | Low | 61 Ų | 61 | 95.8 Ų | 95.8 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.6 | -36.2 | 179.1 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | I50 D51 F57 Q58 | I50-T54 VanDerWaalsContact O-CB 3.32Å; I50-T54 WeakPolarHBondContact O-CB 3.43Å; I50-T54 PolarHBondContact O-N 3.39Å; I50-T54 PolarHBondContact O-OG1 3.27Å; D51-T54 PolarHBondContact O-N 3.03Å; T54-F57 PolarHBondContact O-N 3.15Å; T54-Q58 WeakPolarHBondContact O-CB 3.41Å; T54-Q58 WeakPolarHBondContact O-CG 3.34Å; T54-Q58 PolarHBondContact O-N 2.82Å; T54-Q58 PolarHBondContact O-NE2 2.77Å |
| 55 | A | 70.9 | Confident | 67.2 | Low | 39 Ų | 39 | 94.7 Ų | 94.7 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D51 F57 Q58 Q59 | D51-A55 WeakPolarHBondContact O-CB 3.13Å; D51-A55 PolarHBondContact O-N 3.35Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3Å; A55-Q58 PolarHBondContact O-N 3.42Å; A55-Q59 WeakPolarHBondContact O-CB 3.26Å; A55-Q59 WeakPolarHBondContact O-CG 3.29Å; A55-Q59 PolarHBondContact O-N 3.21Å |
| 56 | A | 62.5 | Low | 65.8 | Low | 39 Ų | 39 | 95 Ų | 95 | 32% | 0.322 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K52 T53 | K52-A56 VanDerWaalsContact O-CB 3.32Å; K52-A56 WeakPolarHBondContact O-CB 3.49Å; K52-A56 PolarHBondContact O-N 2.91Å; T53-A56 PolarHBondContact O-N 3.47Å |
| 57 | F | 62 | Low | 64.8 | Low | 110 Ų | 110 | 102.1 Ų | 102.1 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.1 | -44.4 | 174.2 | -170.4 | -100.2 | 0 | 0 | 0 | 112 | T53 T54 A55 Q59 G60 I62 | T53-F57 WeakPolarHBondContact O-CB 3.28Å; T53-F57 PolarHBondContact O-N 3.18Å; T54-F57 PolarHBondContact O-N 3.15Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.91Å; F57-G60 PolarHBondContact O-N 3Å; F57-G60 VanDerWaalsContact O-N 3.09Å; F57-I62 HydrophobicContact CD2-CB 4.35Å |
| 58 | Q | 64.2 | Low | 63.4 | Low | 153 Ų | 153 | 102.5 Ų | 102.5 | 72% | 0.715 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.3 | -28.3 | 175 | -79.1 | 175.3 | 87.7 | 0 | 0 | 113.2 | T54 A55 G60 | T54-Q58 WeakPolarHBondContact O-CB 3.41Å; T54-Q58 WeakPolarHBondContact O-CG 3.34Å; T54-Q58 PolarHBondContact O-N 2.82Å; T54-Q58 PolarHBondContact O-NE2 2.77Å; A55-Q58 PolarHBondContact O-N 3.42Å; Q58-G60 PolarHBondContact O-N 3.19Å; Q58-G60 VanDerWaalsContact O-N 3.15Å |
| 59 | Q | 61.1 | Low | 62.4 | Low | 138 Ų | 138 | 104.2 Ų | 104.2 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 4.5 | 172.3 | -74.8 | 173.4 | 7.1 | 0 | 0 | 113.5 | A55 F57 K61 | A55-Q59 WeakPolarHBondContact O-CB 3.26Å; A55-Q59 WeakPolarHBondContact O-CG 3.29Å; A55-Q59 PolarHBondContact O-N 3.21Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.91Å; Q59-K61 VanDerWaalsContact C-N 3.3Å; Q59-K61 PolarHBondContact O-N 3.03Å |
| 60 | G | 57.7 | Low | 61.6 | Low | 63 Ų | 63 | 101.4 Ų | 101.4 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.6 | 18.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F57 Q58 | F57-G60 PolarHBondContact O-N 3Å; F57-G60 VanDerWaalsContact O-N 3.09Å; Q58-G60 PolarHBondContact O-N 3.19Å; Q58-G60 VanDerWaalsContact O-N 3.15Å |
| 61 | K | 55.2 | Low | 60.4 | Low | 179 Ų | 179 | 103.1 Ų | 103.1 | 78% | 0.778 | 61% | 0.61 | S | S | * | * | trans | -91.4 | 3.8 | 178.4 | -70.4 | -177.1 | -179.3 | 173.3 | 0 | 114.4 | Q59 | Q59-K61 VanDerWaalsContact C-N 3.3Å; Q59-K61 PolarHBondContact O-N 3.03Å | ||
| 62 | I | 54.9 | Low | 59.4 | Low | 87 Ų | 87 | 104.4 Ų | 104.4 | 45% | 0.446 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -131.7 | 114.1 | 177.1 | -41 | 171.7 | 0 | 0 | 0 | 107.4 | F57 | F57-I62 HydrophobicContact CD2-CB 4.35Š|
| 63 | P | 53.3 | Low | 58.5 | Low | 98 Ų | 98 | 104.3 Ų | 104.3 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -62.6 | 139.2 | 176.7 | 24.9 | -31.8 | 0 | 0 | 0 | 109.9 | T65 | P63-T65 PolarHBondContact O-N 2.93Š| ||
| 64 | P | 53.8 | Low | 57.8 | Low | 101 Ų | 101 | 102.8 Ų | 102.8 | 66% | 0.656 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -64.3 | 105.4 | 167.1 | 27 | -30.9 | 0 | 0 | 0 | 108.2 | ||
| 65 | T | 58.8 | Low | 57.5 | Low | 120 Ų | 120 | 104.8 Ų | 104.8 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | trans | 66.2 | 138.7 | 166.1 | 55.6 | 0 | 0 | 0 | 0 | 118.8 | P63 | P63-T65 PolarHBondContact O-N 2.93Š| ||
| 66 | P | 47.5 | Very low | 56.6 | Low | 109 Ų | 109 | 108.7 Ų | 108.7 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | trans | -130.9 | 78.4 | 134.5 | 36 | -22 | 0 | 0 | 0 | 109.4 | P68 | P66-P68 VanDerWaalsContact CA-CD 3.48Å; P66-P68 WeakPolarHBondContact O-CD 3.47Å | ||
| 67 | F | 51.5 | Low | 56.4 | Low | 197 Ų | 197 | 117.2 Ų | 117.2 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | trans | -107.9 | 72.8 | 145.2 | -86.9 | -77.3 | 0 | 0 | 0 | 108.4 | ||||
| 68 | P | 49 | Very low | 55.6 | Low | 101 Ų | 101 | 118.4 Ų | 118.4 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | trans | -71.8 | 142.1 | 140.1 | 34.6 | -26.6 | 0 | 0 | 0 | 106.9 | P66 | P66-P68 VanDerWaalsContact CA-CD 3.48Å; P66-P68 WeakPolarHBondContact O-CD 3.47Å | ||
| 69 | G | 55.5 | Low | 54.9 | Low | 84 Ų | 84 | 114 Ų | 114 | 87% | 0.866 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -52.2 | 146.7 | -165 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 70 | G | 58.1 | Low | 54.7 | Low | 53 Ų | 53 | 116.5 Ų | 116.5 | 55% | 0.546 | 73% | 0.726 | S | S | . | * | S | Bend | trans | 121.1 | 134.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 71 | P | 53.4 | Low | 54.7 | Low | 123 Ų | 123 | 120.8 Ų | 120.8 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | -59 | 143.3 | 167.5 | 26.5 | -32.2 | 0 | 0 | 0 | 109.4 | ||||
| 72 | P | 59.4 | Low | 54.7 | Low | 114 Ų | 114 | 118 Ų | 118 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | trans | -59.1 | 142.6 | -178.1 | 24.3 | -33.3 | 0 | 0 | 0 | 110.4 | G74 | P72-G74 PolarHBondContact O-N 3.5Š| ||
| 73 | P | 55.5 | Low | 54.8 | Low | 131 Ų | 131 | 120 Ų | 120 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | -62.1 | 108.1 | 175.2 | 26 | -31.8 | 0 | 0 | 0 | 107.8 | ||||
| 74 | G | 57.3 | Low | 55 | Low | 59 Ų | 59 | 120.7 Ų | 120.7 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | -61.3 | 148.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P72 | P72-G74 PolarHBondContact O-N 3.5Š| ||
| 75 | P | 66.8 | Low | 55.2 | Low | 102 Ų | 102 | 121.5 Ų | 121.5 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | trans | -61.8 | 140.6 | 168.8 | 25.1 | -30.8 | 0 | 0 | 0 | 109.5 | R77 | P75-R77 PolarHBondContact O-N 3.42Š| ||
| 76 | P | 52 | Low | 55 | Low | 121 Ų | 121 | 125 Ų | 125 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -65.2 | 111.3 | 174.5 | 27.8 | -30.4 | 0 | 0 | 0 | 106.7 | P78 | P76-P78 WeakPolarHBondContact O-CD 3.24Š| ||
| 77 | R | 56.6 | Low | 55.1 | Low | 218 Ų | 218 | 123.1 Ų | 123.1 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | trans | -76.8 | 110.6 | 175.9 | -66.8 | 178.7 | -178.6 | -89.7 | 0.4 | 107.6 | P75 G79 | P75-R77 PolarHBondContact O-N 3.42Å; R77-G79 PolarHBondContact O-N 2.93Å | ||
| 78 | P | 46.1 | Very low | 55.6 | Low | 135 Ų | 135 | 116.9 Ų | 116.9 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -76.2 | 109.7 | 170 | -5.9 | 27 | 0 | 0 | 0 | 106.4 | P76 | P76-P78 WeakPolarHBondContact O-CD 3.24Š|
| 79 | G | 50.5 | Low | 56.2 | Low | 60 Ų | 60 | 118.1 Ų | 118.1 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | 140.8 | 58.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R77 L81 | R77-G79 PolarHBondContact O-N 2.93Å; G79-L81 VanDerWaalsContact C-N 3.34Å; G79-L81 PolarHBondContact O-N 2.97Å | ||
| 80 | M | 55 | Low | 56.1 | Low | 191 Ų | 191 | 119.7 Ų | 119.7 | 94% | 0.941 | 77% | 0.765 | S | S | * | * | trans | -61.7 | 101.6 | 153.1 | -73.3 | 170 | 85.9 | 0 | 0 | 107.4 | ||||
| 81 | L | 59.6 | Low | 56.3 | Low | 153 Ų | 153 | 125.8 Ų | 125.8 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -97.1 | 123.8 | 148.5 | -80.1 | 115.6 | 0 | 0 | 0 | 106.7 | G79 T83 | G79-L81 VanDerWaalsContact C-N 3.34Å; G79-L81 PolarHBondContact O-N 2.97Å; L81-T83 PolarHBondContact O-N 2.98Å; L81-T83 VanDerWaalsContact O-N 3.12Å | ||
| 82 | P | 53.8 | Low | 56.6 | Low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -66.9 | 112.6 | 175 | 25.9 | -30.2 | 0 | 0 | 0 | 108.6 | P84 | P82-P84 VanDerWaalsContact O-CD 3.28Å; P82-P84 WeakPolarHBondContact O-CD 3.4Å | ||
| 83 | T | 57.3 | Low | 56.4 | Low | 130 Ų | 130 | 128.4 Ų | 128.4 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65 | 118.9 | 170.7 | -29.9 | 0 | 0 | 0 | 0 | 108 | L81 | L81-T83 PolarHBondContact O-N 2.98Å; L81-T83 VanDerWaalsContact O-N 3.12Å |
| 84 | P | 57 | Low | 56.6 | Low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 138.6 | 174 | 23 | -30.2 | 0 | 0 | 0 | 110 | P82 | P82-P84 VanDerWaalsContact O-CD 3.28Å; P82-P84 WeakPolarHBondContact O-CD 3.4Å |
| 85 | P | 58.9 | Low | 56.5 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 126.6 | 177.1 | 32.1 | -28.8 | 0 | 0 | 0 | 107.3 | ||
| 86 | M | 54.3 | Low | 56 | Low | 193 Ų | 193 | 134.4 Ų | 134.4 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | 175.4 | 129.1 | 155 | -101.3 | -69.4 | -154.1 | 0 | 0 | 112.3 | ||||
| 87 | G | 49.2 | Very low | 56.5 | Low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 100.2 | 82.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 88 | G | 62.5 | Low | 56.6 | Low | 66 Ų | 66 | 130.1 Ų | 130.1 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 161.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 89 | P | 61.3 | Low | 57.1 | Low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 142.5 | -178.7 | 23.9 | -31.8 | 0 | 0 | 0 | 111.3 | M91 | P89-M91 PolarHBondContact O-N 3.31Å; P89-M91 VanDerWaalsContact O-N 3.15Å |
| 90 | P | 54.3 | Low | 57.1 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 117.6 | -176.1 | 25.2 | -32.3 | 0 | 0 | 0 | 110.7 | M92 | P90-M92 PolarHBondContact O-N 3.31Š|
| 91 | M | 60.8 | Low | 56.9 | Low | 180 Ų | 180 | 130.6 Ų | 130.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 116.3 | 162.7 | 57.9 | -163.2 | 177.7 | 0 | 0 | 109.5 | P89 | P89-M91 PolarHBondContact O-N 3.31Å; P89-M91 VanDerWaalsContact O-N 3.15Å |
| 92 | M | 61.1 | Low | 56.4 | Low | 170 Ų | 170 | 133 Ų | 133 | 84% | 0.837 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 136.9 | 176 | -67 | -72.3 | -82.8 | 0 | 0 | 109.9 | P90 M94 | P90-M92 PolarHBondContact O-N 3.31Å; M92-M94 PolarHBondContact O-N 2.98Å |
| 93 | P | 55.1 | Low | 56.3 | Low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 134.2 | 179.6 | -16.4 | 29.8 | 0 | 0 | 0 | 112.3 | M95 | P93-M95 PolarHBondContact O-N 2.88Å; P93-M95 VanDerWaalsContact O-N 3.13Å |
| 94 | M | 59.7 | Low | 56 | Low | 185 Ų | 185 | 134.8 Ų | 134.8 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -47.9 | 104.7 | 166.4 | -177.5 | -168.2 | 171.1 | 0 | 0 | 112.3 | M92 | M92-M94 PolarHBondContact O-N 2.98Š| ||
| 95 | M | 54.4 | Low | 55.5 | Low | 189 Ų | 189 | 132.4 Ų | 132.4 | 93% | 0.931 | 80% | 0.803 | S | S | * | * | trans | -98.3 | 103.5 | 166 | -161.3 | 109.6 | 160.6 | 0 | 0 | 107.6 | P93 | P93-M95 PolarHBondContact O-N 2.88Å; P93-M95 VanDerWaalsContact O-N 3.13Å | ||
| 96 | G | 55.9 | Low | 54.5 | Low | 45 Ų | 45 | 130.3 Ų | 130.3 | 46% | 0.464 | 80% | 0.802 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 167.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 97 | P | 63.4 | Low | 54 | Low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67 | 139.3 | -175.2 | 26.8 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 98 | P | 59.3 | Low | 53.7 | Low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 149.3 | 176.5 | 24.7 | -28 | 0 | 0 | 0 | 111.8 | ||
| 99 | P | 55.7 | Low | 52.8 | Low | 126 Ų | 126 | 128.3 Ų | 128.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 142.8 | -161.8 | 29 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 100 | H | 51.5 | Low | 52.1 | Low | 204 Ų | 204 | 131.5 Ų | 131.5 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61 | 128.6 | 160.8 | -120.1 | 66.7 | 0 | 0 | 0 | 110.1 | ||
| 101 | G | 49 | Very low | 51.8 | Low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | 132 | 101.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 102 | M | 49.1 | Very low | 51.5 | Low | 202 Ų | 202 | 134 Ų | 134 | 100% | 0.995 | 81% | 0.812 | S | S | * | * | trans | -162.8 | 113.7 | 145.9 | -103.1 | 163.5 | 178.7 | 0 | 0 | 108.5 | ||||
| 103 | M | 52.4 | Low | 51.2 | Low | 162 Ų | 162 | 132 Ų | 132 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | -107.9 | 148.6 | 178.7 | -154.4 | -109 | 165.1 | 0 | 0 | 108.5 | ||||
| 104 | P | 50.7 | Low | 51.3 | Low | 127 Ų | 127 | 135.4 Ų | 135.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -151.9 | 133.2 | 106 | 31.7 | -11.1 | 0 | 0 | 0 | 112.7 | |||||
| 105 | G | 46.9 | Very low | 50.6 | Low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | 102 | 98.1 | 72.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 106 | G | 38.7 | Very low | 50.3 | Low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -151.5 | 136.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 107 | P | 43.4 | Very low | 49.8 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -100.7 | 146.2 | -152.4 | 36.3 | -30.7 | 0 | 0 | 0 | 114.8 | ||||
| 108 | G | 42.1 | Very low | 49.2 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | 102.8 | 139 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 109 | G | 43.4 | Very low | 49 | Very low | 67 Ų | 67 | 134.2 Ų | 134.2 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | 130.1 | 80.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 110 | M | 47.6 | Very low | 48.9 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 95% | 0.946 | 83% | 0.826 | S | S | * | * | 64.3 | 113.3 | 129.9 | -62.3 | 154.3 | 173.6 | 0 | 0 | 120.2 | |||||
| 111 | R | 47.2 | Very low | 49.3 | Very low | 237 Ų | 237 | 134.1 Ų | 134.1 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -70.7 | 174.8 | 147.5 | -52.5 | 162 | 87.7 | -153.2 | 8.5 | 108.8 | ||||
| 112 | P | 55.5 | Low | 49.3 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | -116.5 | -168.6 | -56 | 36.6 | -19.2 | 0 | 0 | 0 | 110.9 | |||||
| 113 | P | 55.4 | Low | 49.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -138.6 | 145.4 | 103.2 | 35.6 | -23 | 0 | 0 | 0 | 115.3 | |||||
| 114 | M | 56.2 | Low | 50.1 | Low | 194 Ų | 194 | 127.6 Ų | 127.6 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | trans | -59.5 | 129.9 | 160.1 | -175.5 | -160.4 | -162.7 | 0 | 0 | 110.3 | ||||
| 115 | G | 44.8 | Very low | 50.3 | Low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 177.8 | 114.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 116 | G | 48.1 | Very low | 50.8 | Low | 75 Ų | 75 | 133.5 Ų | 133.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -64.7 | -180 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 117 | P | 45.9 | Very low | 51.5 | Low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | -129.7 | 147.4 | 92.7 | 19.8 | -2.5 | 0 | 0 | 0 | 113.3 | Q119 | P117-Q119 PolarHBondContact O-N 3.48Š| |||
| 118 | M | 50.8 | Low | 51.8 | Low | 171 Ų | 171 | 140.2 Ų | 140.2 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -47 | 129.3 | 169.7 | -82.7 | -175.2 | 171.6 | 0 | 0 | 111.2 | M120 | M118-M120 VanDerWaalsContact C-N 3.26Å; M118-M120 PolarHBondContact O-N 3.36Å | ||
| 119 | Q | 55.9 | Low | 52 | Low | 196 Ų | 196 | 146 Ų | 146 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -70.3 | 86.6 | 158.3 | -65.3 | 178.4 | 69.3 | 0 | 0 | 108 | P117 M121 | P117-Q119 PolarHBondContact O-N 3.48Å; Q119-M121 PolarHBondContact O-N 3.02Å | ||
| 120 | M | 53.5 | Low | 52.5 | Low | 161 Ų | 161 | 150 Ų | 150 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -84.9 | 101.2 | 157.6 | -83 | -169.1 | 143.8 | 0 | 0 | 106.9 | M118 P122 | M118-M120 VanDerWaalsContact C-N 3.26Å; M118-M120 PolarHBondContact O-N 3.36Å; M120-P122 WeakPolarHBondContact O-CD 3.2Å | ||
| 121 | M | 59.2 | Low | 52.8 | Low | 167 Ų | 167 | 146.8 Ų | 146.8 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | trans | -63.8 | 116.6 | 157.3 | -79.2 | -117.5 | 78.3 | 0 | 0 | 107.7 | Q119 G123 | Q119-M121 PolarHBondContact O-N 3.02Å; M121-G123 PolarHBondContact O-N 3.09Å; M121-G123 VanDerWaalsContact O-N 3.11Å | ||
| 122 | P | 48.4 | Very low | 53.3 | Low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -69.9 | 108.9 | 157.5 | -5 | 24.2 | 0 | 0 | 0 | 105.2 | M120 | M120-P122 WeakPolarHBondContact O-CD 3.2Š| ||
| 123 | G | 54.9 | Low | 53.2 | Low | 50 Ų | 50 | 145 Ų | 145 | 52% | 0.515 | 80% | 0.8 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 155.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | M121 | M121-G123 PolarHBondContact O-N 3.09Å; M121-G123 VanDerWaalsContact O-N 3.11Å |
| 124 | P | 63.1 | Low | 53.2 | Low | 127 Ų | 127 | 146.9 Ų | 146.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 128.2 | -179.6 | -19.7 | 30.5 | 0 | 0 | 0 | 109.3 | H126 | P124-H126 PolarHBondContact O-N 3.49Š|
| 125 | P | 56.2 | Low | 53.2 | Low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130.3 | 173.7 | 21.2 | -28.7 | 0 | 0 | 0 | 108.3 | M127 | P125-M127 PolarHBondContact O-N 2.87Š|
| 126 | H | 55.8 | Low | 53.6 | Low | 192 Ų | 192 | 149.4 Ų | 149.4 | 89% | 0.889 | 79% | 0.794 | S | S | * | * | trans | -34.6 | 125.4 | 168.9 | -96.7 | -50.8 | 0 | 0 | 0 | 110.5 | P124 M128 | P124-H126 PolarHBondContact O-N 3.49Å; H126-M128 VanDerWaalsContact C-N 3.26Å; H126-M128 PolarHBondContact O-N 3.22Å | ||
| 127 | M | 53.6 | Low | 54.1 | Low | 188 Ų | 188 | 151.6 Ų | 151.6 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | -60.5 | 92.7 | 169.4 | -64.7 | -166.6 | -161.9 | 0 | 0 | 108.6 | P125 R129 | P125-M127 PolarHBondContact O-N 2.87Å; M127-R129 PolarHBondContact O-N 3.22Å | ||
| 128 | M | 49.9 | Very low | 54.6 | Low | 163 Ų | 163 | 151.9 Ų | 151.9 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | -68.9 | 84.4 | 161.7 | -166.4 | 65.7 | 164.9 | 0 | 0 | 106.3 | H126 H130 | H126-M128 VanDerWaalsContact C-N 3.26Å; H126-M128 PolarHBondContact O-N 3.22Å; M128-H130 VanDerWaalsContact C-N 3.33Å; M128-H130 PolarHBondContact O-N 3.15Å; M128-H130 PolarHBondContact O-ND1 3.3Å | ||
| 129 | R | 47.6 | Very low | 54.9 | Low | 207 Ų | 207 | 154.6 Ų | 154.6 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -58.9 | 99.5 | 173.6 | -158.6 | 178 | -165.1 | -88.6 | 5.7 | 105.9 | M127 | M127-R129 PolarHBondContact O-N 3.22Š| ||
| 130 | H | 53.2 | Low | 54.5 | Low | 151 Ų | 151 | 151.7 Ų | 151.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -54.4 | 134.5 | 172.3 | -71.8 | 57.7 | 0 | 0 | 0 | 107.3 | M128 R132 | M128-H130 VanDerWaalsContact C-N 3.33Å; M128-H130 PolarHBondContact O-N 3.15Å; M128-H130 PolarHBondContact O-ND1 3.3Å; H130-R132 PolarHBondContact O-N 3.29Å | ||
| 131 | P | 53.6 | Low | 54.5 | Low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -61.8 | 108.3 | 171.2 | 23.9 | -29 | 0 | 0 | 0 | 106.9 | ||||
| 132 | R | 57.7 | Low | 54.2 | Low | 191 Ų | 191 | 148.4 Ų | 148.4 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -52.5 | 128.4 | 167.4 | -74.7 | 179.2 | 144 | -159.5 | -6.3 | 107.1 | H130 M134 | H130-R132 PolarHBondContact O-N 3.29Å; R132-M134 PolarHBondContact O-N 3.11Å; R132-M134 VanDerWaalsContact O-N 3.11Å | ||
| 133 | P | 53 | Low | 54.5 | Low | 122 Ų | 122 | 149.3 Ų | 149.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -61.5 | 121.1 | 165.4 | 25.3 | -29.2 | 0 | 0 | 0 | 106.8 | M135 | P133-M135 PolarHBondContact O-N 3.5Š| ||
| 134 | M | 56 | Low | 54.6 | Low | 167 Ų | 167 | 158.1 Ų | 158.1 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | -54.1 | 105.7 | 170.3 | -73 | -93.5 | -134.1 | 0 | 0 | 107.8 | R132 M136 | R132-M134 PolarHBondContact O-N 3.11Å; R132-M134 VanDerWaalsContact O-N 3.11Å; M134-M136 PolarHBondContact O-N 3.13Å | ||
| 135 | M | 55.1 | Low | 54.5 | Low | 165 Ų | 165 | 158 Ų | 158 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -61.5 | 99.3 | 164.5 | 45 | -161.7 | 164.4 | 0 | 0 | 108 | P133 | P133-M135 PolarHBondContact O-N 3.5Š| ||
| 136 | M | 54.7 | Low | 54.4 | Low | 153 Ų | 153 | 160.2 Ų | 160.2 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | trans | -62.6 | 129.5 | 167 | -69.5 | -71.1 | 158 | 0 | 0 | 107.9 | M134 V138 | M134-M136 PolarHBondContact O-N 3.13Å; M136-V138 PolarHBondContact O-N 3.48Å | ||
| 137 | P | 57.5 | Low | 54.1 | Low | 121 Ų | 121 | 165.8 Ų | 165.8 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | -66.7 | 103.4 | 169.3 | 24.7 | -28.5 | 0 | 0 | 0 | 108 | R139 | P137-R139 PolarHBondContact O-N 2.99Š| ||
| 138 | V | 56.2 | Low | 54.1 | Low | 135 Ų | 135 | 164.7 Ų | 164.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 117.9 | 168.6 | 80.9 | 0 | 0 | 0 | 0 | 107 | M136 | M136-V138 PolarHBondContact O-N 3.48Š|
| 139 | R | 56.7 | Low | 54.3 | Low | 227 Ų | 227 | 164.8 Ų | 164.8 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.9 | 176 | -71.2 | 168.5 | 145.3 | -108.5 | -1.3 | 108.5 | P137 G141 | P137-R139 PolarHBondContact O-N 2.99Å; R139-G141 PolarHBondContact O-N 3.35Å |
| 140 | P | 49.1 | Very low | 54.7 | Low | 136 Ų | 136 | 162.4 Ų | 162.4 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -73.3 | 120.7 | 169.4 | -8.5 | 24.5 | 0 | 0 | 0 | 108.5 | ||
| 141 | G | 53.5 | Low | 54.8 | Low | 68 Ų | 68 | 163.1 Ų | 163.1 | 70% | 0.701 | 84% | 0.84 | S | S | * | * | trans | 140.5 | 90.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R139 | R139-G141 PolarHBondContact O-N 3.35Š| ||
| 142 | M | 52.1 | Low | 54.9 | Low | 190 Ų | 190 | 165.5 Ų | 165.5 | 94% | 0.936 | 84% | 0.842 | S | S | * | * | trans | -158.8 | 108.6 | 138.8 | -107.6 | 161.1 | 166.6 | 0 | 0 | 108.8 | ||||
| 143 | V | 54.9 | Low | 54.7 | Low | 137 Ų | 137 | 163.8 Ų | 163.8 | 83% | 0.83 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 132.4 | 172 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 144 | R | 56.7 | Low | 54.8 | Low | 235 Ų | 235 | 166.8 Ų | 166.8 | 89% | 0.887 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.4 | 164.9 | -59.8 | 175.1 | 69.2 | -155.9 | -0.3 | 108.6 | ||
| 145 | P | 61.9 | Low | 54.7 | Low | 125 Ų | 125 | 166.8 Ų | 166.8 | 81% | 0.812 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -98 | 135.2 | 152 | 24.7 | -11.7 | 0 | 0 | 0 | 110.5 | ||
| 146 | D | 52.8 | Low | 54.7 | Low | 167 Ų | 167 | 166.9 Ų | 166.9 | 89% | 0.893 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 133.3 | 171.2 | -167.7 | -105.4 | 0 | 0 | 0 | 112.2 | ||
| 147 | R | 50 | Low | 54.7 | Low | 309 Ų | 309 | 168.2 Ų | 168.2 | 100% | 1.166 | 87% | 0.87 | S | S | * | * | trans | -163.1 | 0 | 149.4 | -157 | 176.5 | -176.4 | -177.8 | 1.3 | 111.3 |
Retrieved 147 of 147 residues in 49.5 ms
(Link to these results)