| 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 | 62.4 | Low | 85 | Confident | 215 Ų | 215 | 90.5 Ų | 90.5 | 100% | 1.059 | 45% | 0.452 | S | S | * | . | 0 | 114 | 0 | -150.2 | 78.2 | 85.7 | 0 | 0 | 107.5 | K3 | M1-K3 PolarHBondContact O-N 3.24Å; M1-K3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | P | 67.7 | Low | 85.4 | Confident | 104 Ų | 104 | 96.7 Ų | 96.7 | 68% | 0.675 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 116.3 | -179.4 | 25.1 | -30.4 | 0 | 0 | 0 | 109 | D16 | P2-D16 WeakPolarHBondContact O-CB 3.16Š|
| 3 | K | 79 | Confident | 85.6 | Confident | 156 Ų | 156 | 91 Ų | 91 | 68% | 0.678 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -103.2 | 121.8 | 172.3 | -67.2 | -179.7 | -179.7 | 178.7 | 0 | 106.3 | M1 Y5 Y12 | M1-K3 PolarHBondContact O-N 3.24Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-Y5 PolarHBondContact O-N 3Å; K3-Y12 HydrophobicContact CB-CD1 4.48Å |
| 4 | F | 86.2 | Confident | 85.5 | Confident | 60 Ų | 60 | 93.3 Ų | 93.3 | 26% | 0.263 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 124.7 | 175.7 | 175.3 | -96.9 | 0 | 0 | 0 | 109.5 | C6 L13 D16 R21 | F4-C6 HydrophobicContact CE1-CB 4.03Å; F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.45Å; F4-L13 HydrophobicContact CD1-CB 4.04Å; F4-L13 HydrophobicContact CD1-CD2 3.87Å; F4-L13 WeakPolarHBondContact O-CB 3.46Å; F4-L13 PolarHBondContact O-N 3.16Å; F4-D16 HydrophobicContact CB-CB 4.26Å; F4-D16 VanDerWaalsContact CB-OD1 3.23Å; F4-D16 WeakPolarHBondContact CB-OD1 3.36Å; F4-R21 HydrophobicContact CD1-CG 4.05Å; F4-R21 HydrophobicContact CD2-CG 4.14Å; F4-R21 HydrophobicContact CE1-CG 4.26Å; F4-R21 HydrophobicContact CE2-CG 4.36Å; F4-R21 HydrophobicContact CG-CG 3.98Å; F4-R21 HydrophobicContact CZ-CG 4.42Å |
| 5 | Y | 90.4 | Very high | 85.4 | Confident | 73 Ų | 73 | 95.9 Ų | 95.9 | 29% | 0.286 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.6 | 170.5 | -175.9 | -103.7 | 0 | 0 | 0 | 108.8 | K3 D10 Y12 | K3-Y5 PolarHBondContact O-N 3Å; Y5-D10 VanDerWaalsContact OH-CA 3.23Å; Y5-D10 WeakPolarHBondContact OH-CA 3.43Å; Y5-D10 PolarHBondContact OH-OD1 3.42Å; Y5-Y12 AromaticContact CD2-CD1 3.72Å; Y5-Y12 HydrophobicContact CD2-CD1 3.72Å; Y5-Y12 HydrophobicContact CD2-CD2 4Å; Y5-Y12 AromaticContact CD2-CE1 3.58Å; Y5-Y12 HydrophobicContact CD2-CE1 3.58Å; Y5-Y12 AromaticContact CD2-CE2 3.85Å; Y5-Y12 HydrophobicContact CD2-CE2 3.85Å; Y5-Y12 AromaticContact CD2-CG 3.94Å; Y5-Y12 HydrophobicContact CD2-CG 3.94Å; Y5-Y12 AromaticContact CD2-CZ 3.64Å; Y5-Y12 HydrophobicContact CE2-CD2 4.24Å; Y5-Y12 HydrophobicContact CE2-CE1 4.4Å; Y5-Y12 AromaticContact CE2-CE2 3.92Å; Y5-Y12 HydrophobicContact CE2-CE2 3.92Å; Y5-Y12 HydrophobicContact CG-CD1 4.4Å; Y5-Y12 HydrophobicContact CG-CE1 4.16Å |
| 6 | C | 92.4 | Very high | 85.2 | Confident | 5 Ų | 5 | 93.3 Ų | 93.3 | 3% | 0.034 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 113.5 | 172.6 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | F4 Y8 C9 D10 T11 H24 H30 | F4-C6 HydrophobicContact CE1-CB 4.03Å; C6-Y8 VanDerWaalsContact C-N 3.3Å; C6-Y8 PolarHBondContact O-N 3.44Å; C6-C9 HydrophobicContact CB-CB 4.08Å; C6-C9 PolarHBondContact O-N 3.25Å; C6-C9 VanDerWaalsContact O-N 3.14Å; C6-D10 PolarHBondContact O-N 3.5Å; C6-T11 PolarHBondContact N-O 3Å; C6-T11 VanDerWaalsContact N-O 3.15Å; C6-H24 VanDerWaalsContact CB-NE2 3.29Å; C6-H24 WeakPolarHBondContact CB-NE2 3.35Å; C6-H24 PolarHBondContact SG-NE2 2.86Å; C6-H30 PolarHBondContact SG-CE1 3.29Å; C6-H30 PolarHBondContact SG-ND1 3.16Å |
| 7 | D | 92.1 | Very high | 85.3 | Confident | 120 Ų | 120 | 90.6 Ų | 90.6 | 64% | 0.642 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -31.7 | -178.3 | -53.4 | -81.1 | 0 | 0 | 0 | 113.2 | C9 | D7-C9 VanDerWaalsContact C-N 3.32Å; D7-C9 PolarHBondContact O-N 3.17Å |
| 8 | Y | 91.3 | Very high | 85.3 | Confident | 87 Ų | 87 | 90.4 Ų | 90.4 | 34% | 0.341 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -24.6 | 177 | -55.7 | -68 | 0 | 0 | 0 | 113.1 | C6 H30 N33 V34 Y37 | C6-Y8 VanDerWaalsContact C-N 3.3Å; C6-Y8 PolarHBondContact O-N 3.44Å; Y8-H30 AromaticContact CD2-CE1 3.67Å; Y8-N33 VanDerWaalsContact O-CB 3.23Å; Y8-N33 WeakPolarHBondContact O-CB 3.16Å; Y8-N33 PolarHBondContact O-ND2 3.07Å; Y8-V34 HydrophobicContact CD1-CG2 3.95Å; Y8-V34 HydrophobicContact CD2-CG2 3.69Å; Y8-V34 HydrophobicContact CE1-CG2 4.39Å; Y8-V34 HydrophobicContact CE2-CG2 4.15Å; Y8-V34 HydrophobicContact CG-CG2 3.56Å; Y8-Y37 HydrophobicContact CD1-CD1 4.35Å; Y8-Y37 HydrophobicContact CD1-CG 4.18Å; Y8-Y37 AromaticContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CE1 4.26Å; Y8-Y37 HydrophobicContact CE1-CG 4.24Å |
| 9 | C | 92.3 | Very high | 85.4 | Confident | 10 Ų | 10 | 90.1 Ų | 90.1 | 7% | 0.068 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -12.1 | -175.6 | -69.6 | 0 | 0 | 0 | 0 | 113 | C6 D7 T11 H24 | C6-C9 HydrophobicContact CB-CB 4.08Å; C6-C9 PolarHBondContact O-N 3.25Å; C6-C9 VanDerWaalsContact O-N 3.14Å; D7-C9 VanDerWaalsContact C-N 3.32Å; D7-C9 PolarHBondContact O-N 3.17Å; C9-T11 HydrophobicContact CB-CG2 4.19Å; C9-T11 WeakPolarHBondContact O-CG2 3.46Å; C9-T11 PolarHBondContact O-N 3.05Å; C9-H24 PolarHBondContact SG-NE2 2.81Å |
| 10 | D | 91.4 | Very high | 85.6 | Confident | 119 Ų | 119 | 87.8 Ų | 87.8 | 64% | 0.636 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 39.4 | -167.4 | -69.4 | -40 | 0 | 0 | 0 | 113.8 | Y5 C6 | Y5-D10 VanDerWaalsContact OH-CA 3.23Å; Y5-D10 WeakPolarHBondContact OH-CA 3.43Å; Y5-D10 PolarHBondContact OH-OD1 3.42Å; C6-D10 PolarHBondContact O-N 3.5Å |
| 11 | T | 89.8 | Confident | 85.9 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 29% | 0.288 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.2 | -177.2 | 70 | 0 | 0 | 0 | 0 | 112.4 | C6 C9 | C6-T11 PolarHBondContact N-O 3Å; C6-T11 VanDerWaalsContact N-O 3.15Å; C9-T11 HydrophobicContact CB-CG2 4.19Å; C9-T11 WeakPolarHBondContact O-CG2 3.46Å; C9-T11 PolarHBondContact O-N 3.05Å |
| 12 | Y | 89.7 | Confident | 87.2 | Confident | 164 Ų | 164 | 85 Ų | 85 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.4 | 165.9 | -67.1 | -83.1 | 0 | 0 | 0 | 111 | K3 Y5 | K3-Y12 HydrophobicContact CB-CD1 4.48Å; Y5-Y12 AromaticContact CD2-CD1 3.72Å; Y5-Y12 HydrophobicContact CD2-CD1 3.72Å; Y5-Y12 HydrophobicContact CD2-CD2 4Å; Y5-Y12 AromaticContact CD2-CE1 3.58Å; Y5-Y12 HydrophobicContact CD2-CE1 3.58Å; Y5-Y12 AromaticContact CD2-CE2 3.85Å; Y5-Y12 HydrophobicContact CD2-CE2 3.85Å; Y5-Y12 AromaticContact CD2-CG 3.94Å; Y5-Y12 HydrophobicContact CD2-CG 3.94Å; Y5-Y12 AromaticContact CD2-CZ 3.64Å; Y5-Y12 HydrophobicContact CE2-CD2 4.24Å; Y5-Y12 HydrophobicContact CE2-CE1 4.4Å; Y5-Y12 AromaticContact CE2-CE2 3.92Å; Y5-Y12 HydrophobicContact CE2-CE2 3.92Å; Y5-Y12 HydrophobicContact CG-CD1 4.4Å; Y5-Y12 HydrophobicContact CG-CE1 4.16Å |
| 13 | L | 88.8 | Confident | 88.4 | Confident | 23 Ų | 23 | 84.3 Ų | 84.3 | 12% | 0.12 | 43% | 0.428 | C | S | . | . | trans | -86.1 | 126 | 172.9 | -164.3 | 61.4 | 0 | 0 | 0 | 109.6 | F4 H15 V20 R21 | F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.45Å; F4-L13 HydrophobicContact CD1-CB 4.04Å; F4-L13 HydrophobicContact CD1-CD2 3.87Å; F4-L13 WeakPolarHBondContact O-CB 3.46Å; F4-L13 PolarHBondContact O-N 3.16Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 2.86Å; L13-V20 HydrophobicContact CD1-CG1 3.65Å; L13-V20 HydrophobicContact CD2-CB 4.14Å; L13-V20 HydrophobicContact CD2-CG1 3.5Å; L13-V20 VanDerWaalsContact CD2-CG1 3.5Å; L13-V20 HydrophobicContact CG-CG1 3.71Å; L13-R21 HydrophobicContact CD2-CG 4.09Å | ||
| 14 | T | 83.6 | Confident | 89.1 | Confident | 123 Ų | 123 | 78.6 Ų | 78.6 | 76% | 0.755 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -67.6 | -27.4 | -174.3 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 15 | H | 83.5 | Confident | 89.4 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 61% | 0.611 | 41% | 0.408 | S | S | * | . | trans | -133.1 | 116.3 | 177.2 | -63.3 | -68.1 | 0 | 0 | 0 | 111 | L13 S17 V20 | L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 2.86Å; H15-S17 PolarHBondContact O-N 3.28Å; H15-V20 HydrophobicContact CB-CG2 4.48Å; H15-V20 WeakPolarHBondContact O-CB 3.29Å | ||
| 16 | D | 82.9 | Confident | 89.5 | Confident | 55 Ų | 55 | 77.8 Ų | 77.8 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | trans | -85.1 | 61.8 | 179.2 | -168.3 | 29.5 | 0 | 0 | 0 | 112.5 | P2 F4 R21 | P2-D16 WeakPolarHBondContact O-CB 3.16Å; F4-D16 HydrophobicContact CB-CB 4.26Å; F4-D16 VanDerWaalsContact CB-OD1 3.23Å; F4-D16 WeakPolarHBondContact CB-OD1 3.36Å; D16-R21 VanDerWaalsContact OD1-CD 3.29Å; D16-R21 WeakPolarHBondContact OD1-CD 3.24Å; D16-R21 IonicContact OD1-CZ 3.38Å; D16-R21 IonicContact OD1-NE 3.65Å; D16-R21 IonicContact OD1-NH1 2.58Å; D16-R21 PolarHBondContact OD1-NH1 3.07Å; D16-R21 IonicContact OD2-NH1 2.95Å; D16-R21 PolarHBondContact OD2-NH1 2.91Å | ||
| 17 | S | 86.7 | Confident | 89.6 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 33% | 0.329 | 43% | 0.426 | S | S | . | . | trans | -97.9 | 142.6 | 172 | 168.2 | 0 | 0 | 0 | 0 | 110.1 | H15 S19 V20 R21 | H15-S17 PolarHBondContact O-N 3.28Å; S17-S19 PolarHBondContact O-N 2.82Å; S17-S19 VanDerWaalsContact O-N 3.15Å; S17-S19 PolarHBondContact OG-N 3.2Å; S17-V20 WeakPolarHBondContact O-CA 3.38Å; S17-V20 PolarHBondContact O-N 2.89Å; S17-R21 PolarHBondContact O-N 3.32Å | ||
| 18 | P | 85.9 | Confident | 89.7 | Confident | 88 Ų | 88 | 82.1 Ų | 82.1 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -55 | -33.5 | 177.1 | 20.5 | -32.1 | 0 | 0 | 0 | 112.8 | K22 | P18-K22 WeakPolarHBondContact O-CB 3.38Å; P18-K22 PolarHBondContact O-N 2.77Å |
| 19 | S | 86.9 | Confident | 89.8 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 58% | 0.58 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | S17 K22 T23 | S17-S19 PolarHBondContact O-N 2.82Å; S17-S19 VanDerWaalsContact O-N 3.15Å; S17-S19 PolarHBondContact OG-N 3.2Å; S19-K22 PolarHBondContact O-N 3.15Å; S19-T23 WeakPolarHBondContact O-CG2 3.25Å; S19-T23 PolarHBondContact O-N 2.81Å; S19-T23 PolarHBondContact O-OG1 2.83Å |
| 20 | V | 90 | Very high | 90 | Very high | 45 Ų | 45 | 84.5 Ų | 84.5 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.9 | -38.2 | -179.9 | -174.6 | 0 | 0 | 0 | 0 | 111 | L13 H15 S17 K22 T23 H24 | L13-V20 HydrophobicContact CD1-CG1 3.65Å; L13-V20 HydrophobicContact CD2-CB 4.14Å; L13-V20 HydrophobicContact CD2-CG1 3.5Å; L13-V20 VanDerWaalsContact CD2-CG1 3.5Å; L13-V20 HydrophobicContact CG-CG1 3.71Å; H15-V20 HydrophobicContact CB-CG2 4.48Å; H15-V20 WeakPolarHBondContact O-CB 3.29Å; S17-V20 WeakPolarHBondContact O-CA 3.38Å; S17-V20 PolarHBondContact O-N 2.89Å; V20-K22 VanDerWaalsContact C-N 3.35Å; V20-T23 WeakPolarHBondContact CA-OG1 3.48Å; V20-T23 PolarHBondContact O-N 3.25Å; V20-T23 PolarHBondContact O-OG1 2.77Å; V20-H24 VanDerWaalsContact O-CB 3.29Å; V20-H24 WeakPolarHBondContact O-CB 3.48Å; V20-H24 PolarHBondContact O-N 3.25Å |
| 21 | R | 90.4 | Very high | 90.1 | Very high | 81 Ų | 81 | 84.1 Ų | 84.1 | 31% | 0.306 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 171.7 | -71 | -171.3 | -64 | -120 | -0.6 | 111.3 | F4 L13 D16 S17 T23 H24 C25 | F4-R21 HydrophobicContact CD1-CG 4.05Å; F4-R21 HydrophobicContact CD2-CG 4.14Å; F4-R21 HydrophobicContact CE1-CG 4.26Å; F4-R21 HydrophobicContact CE2-CG 4.36Å; F4-R21 HydrophobicContact CG-CG 3.98Å; F4-R21 HydrophobicContact CZ-CG 4.42Å; L13-R21 HydrophobicContact CD2-CG 4.09Å; D16-R21 VanDerWaalsContact OD1-CD 3.29Å; D16-R21 WeakPolarHBondContact OD1-CD 3.24Å; D16-R21 IonicContact OD1-CZ 3.38Å; D16-R21 IonicContact OD1-NE 3.65Å; D16-R21 IonicContact OD1-NH1 2.58Å; D16-R21 PolarHBondContact OD1-NH1 3.07Å; D16-R21 IonicContact OD2-NH1 2.95Å; D16-R21 PolarHBondContact OD2-NH1 2.91Å; S17-R21 PolarHBondContact O-N 3.32Å; R21-T23 PolarHBondContact O-N 3.46Å; R21-H24 PolarHBondContact O-N 3.11Å; R21-C25 WeakPolarHBondContact O-CB 3.35Å; R21-C25 PolarHBondContact O-N 3Å; R21-C25 PolarHBondContact O-SG 3.26Å; R21-C25 VanDerWaalsContact O-SG 3.33Å |
| 22 | K | 91.1 | Very high | 90.3 | Very high | 162 Ų | 162 | 86.5 Ų | 86.5 | 70% | 0.704 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 176.8 | -178.1 | 177.7 | -86.9 | -173.8 | 0 | 111.8 | P18 S19 V20 S26 | P18-K22 WeakPolarHBondContact O-CB 3.38Å; P18-K22 PolarHBondContact O-N 2.77Å; S19-K22 PolarHBondContact O-N 3.15Å; V20-K22 VanDerWaalsContact C-N 3.35Å; K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 3.18Å; K22-S26 PolarHBondContact O-N 2.85Å; K22-S26 PolarHBondContact O-OG 3.01Å |
| 23 | T | 92.9 | Very high | 90.5 | Very high | 91 Ų | 91 | 80.9 Ų | 80.9 | 56% | 0.558 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.3 | -33.4 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | S19 V20 R21 S26 G27 | S19-T23 WeakPolarHBondContact O-CG2 3.25Å; S19-T23 PolarHBondContact O-N 2.81Å; S19-T23 PolarHBondContact O-OG1 2.83Å; V20-T23 WeakPolarHBondContact CA-OG1 3.48Å; V20-T23 PolarHBondContact O-N 3.25Å; V20-T23 PolarHBondContact O-OG1 2.77Å; R21-T23 PolarHBondContact O-N 3.46Å; T23-S26 WeakPolarHBondContact CA-OG 3.45Å; T23-S26 PolarHBondContact O-OG 2.93Å; T23-G27 PolarHBondContact O-N 3.18Å; T23-G27 VanDerWaalsContact O-N 3.09Å |
| 24 | H | 93.7 | Very high | 90.8 | Very high | 35 Ų | 35 | 81.4 Ų | 81.4 | 16% | 0.162 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65 | -54.7 | 173.4 | 179.7 | 86.1 | 0 | 0 | 0 | 112 | C6 C9 V20 R21 S26 G27 H30 | C6-H24 VanDerWaalsContact CB-NE2 3.29Å; C6-H24 WeakPolarHBondContact CB-NE2 3.35Å; C6-H24 PolarHBondContact SG-NE2 2.86Å; C9-H24 PolarHBondContact SG-NE2 2.81Å; V20-H24 VanDerWaalsContact O-CB 3.29Å; V20-H24 WeakPolarHBondContact O-CB 3.48Å; V20-H24 PolarHBondContact O-N 3.25Å; R21-H24 PolarHBondContact O-N 3.11Å; H24-S26 VanDerWaalsContact C-N 3.3Å; H24-S26 PolarHBondContact O-N 3.21Å; H24-G27 PolarHBondContact O-N 2.99Å; H24-H30 AromaticContact CD2-ND1 3.75Å; H24-H30 AromaticContact NE2-ND1 3.51Å; H24-H30 VanDerWaalsContact O-CB 3.28Å; H24-H30 WeakPolarHBondContact O-CB 3.33Å |
| 25 | C | 91.1 | Very high | 91.2 | Very high | 54 Ų | 54 | 82.6 Ų | 82.6 | 37% | 0.365 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.4 | -33.6 | -178.9 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | R21 G27 H30 | R21-C25 WeakPolarHBondContact O-CB 3.35Å; R21-C25 PolarHBondContact O-N 3Å; R21-C25 PolarHBondContact O-SG 3.26Å; R21-C25 VanDerWaalsContact O-SG 3.33Å; C25-G27 VanDerWaalsContact C-N 3.26Å; C25-H30 PolarHBondContact O-CD2 3.16Å; C25-H30 VanDerWaalsContact O-CD2 3.25Å |
| 26 | S | 93.5 | Very high | 91.6 | Very high | 63 Ų | 63 | 80 Ų | 80 | 44% | 0.441 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -79.9 | -10.9 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | K22 T23 H24 K31 | K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 3.18Å; K22-S26 PolarHBondContact O-N 2.85Å; K22-S26 PolarHBondContact O-OG 3.01Å; T23-S26 WeakPolarHBondContact CA-OG 3.45Å; T23-S26 PolarHBondContact O-OG 2.93Å; H24-S26 VanDerWaalsContact C-N 3.3Å; H24-S26 PolarHBondContact O-N 3.21Å; S26-K31 VanDerWaalsContact O-CE 3.27Å; S26-K31 WeakPolarHBondContact O-CE 3.39Å; S26-K31 PolarHBondContact O-NZ 3.38Å |
| 27 | G | 93.9 | Very high | 92 | Very high | 25 Ų | 25 | 83.4 Ų | 83.4 | 26% | 0.258 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -64.3 | 151.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T23 H24 C25 H30 K31 | T23-G27 PolarHBondContact O-N 3.18Å; T23-G27 VanDerWaalsContact O-N 3.09Å; H24-G27 PolarHBondContact O-N 2.99Å; C25-G27 VanDerWaalsContact C-N 3.26Å; G27-H30 PolarHBondContact O-N 3.48Å; G27-K31 PolarHBondContact O-N 3.46Å; G27-K31 VanDerWaalsContact O-N 3.17Å |
| 28 | R | 94.3 | Very high | 92.1 | Very high | 191 Ų | 191 | 86.6 Ų | 86.6 | 72% | 0.721 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.5 | -48.9 | -176.9 | -160.6 | -171 | -49.9 | 110.7 | 5.3 | 112.2 | H30 K31 E32 | R28-H30 VanDerWaalsContact C-N 3.33Å; R28-H30 PolarHBondContact O-N 3.28Å; R28-K31 PolarHBondContact O-N 3.25Å; R28-K31 VanDerWaalsContact O-N 3.17Å; R28-E32 WeakPolarHBondContact CD-OE1 3.38Å; R28-E32 HydrophobicContact CG-CG 4.49Å; R28-E32 VanDerWaalsContact CG-OE1 3.3Å; R28-E32 WeakPolarHBondContact CG-OE1 3.2Å; R28-E32 WeakPolarHBondContact O-CG 3.36Å; R28-E32 PolarHBondContact O-N 3.32Å |
| 29 | K | 93.9 | Very high | 92.2 | Very high | 122 Ų | 122 | 88.1 Ų | 88.1 | 53% | 0.53 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.6 | -45.2 | 179.1 | -175.8 | -179.8 | 178.1 | -174.5 | 0 | 112.3 | E32 N33 | K29-E32 PolarHBondContact O-N 3.47Å; K29-N33 WeakPolarHBondContact O-CB 3.5Å; K29-N33 VanDerWaalsContact O-CG 3.27Å; K29-N33 PolarHBondContact O-N 3.39Å; K29-N33 PolarHBondContact O-OD1 3.18Å |
| 30 | H | 95.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 90.3 Ų | 90.3 | 11% | 0.111 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 178.9 | -178 | 90.4 | 0 | 0 | 0 | 111.4 | C6 Y8 H24 C25 G27 R28 E32 N33 V34 | C6-H30 PolarHBondContact SG-CE1 3.29Å; C6-H30 PolarHBondContact SG-ND1 3.16Å; Y8-H30 AromaticContact CD2-CE1 3.67Å; H24-H30 AromaticContact CD2-ND1 3.75Å; H24-H30 AromaticContact NE2-ND1 3.51Å; H24-H30 VanDerWaalsContact O-CB 3.28Å; H24-H30 WeakPolarHBondContact O-CB 3.33Å; C25-H30 PolarHBondContact O-CD2 3.16Å; C25-H30 VanDerWaalsContact O-CD2 3.25Å; G27-H30 PolarHBondContact O-N 3.48Å; R28-H30 VanDerWaalsContact C-N 3.33Å; R28-H30 PolarHBondContact O-N 3.28Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 2.85Å; H30-N33 PolarHBondContact O-N 3.37Å; H30-V34 WeakPolarHBondContact O-CB 3.13Å; H30-V34 WeakPolarHBondContact O-CG2 3.23Å; H30-V34 PolarHBondContact O-N 3.38Å |
| 31 | K | 94.6 | Very high | 92 | Very high | 112 Ų | 112 | 93.4 Ų | 93.4 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 178.7 | -72.3 | 171.9 | 173.6 | 163.8 | 0 | 113.2 | S26 G27 R28 K35 | S26-K31 VanDerWaalsContact O-CE 3.27Å; S26-K31 WeakPolarHBondContact O-CE 3.39Å; S26-K31 PolarHBondContact O-NZ 3.38Å; G27-K31 PolarHBondContact O-N 3.46Å; G27-K31 VanDerWaalsContact O-N 3.17Å; R28-K31 PolarHBondContact O-N 3.25Å; R28-K31 VanDerWaalsContact O-N 3.17Å; K31-K35 WeakPolarHBondContact O-CG 3.43Å; K31-K35 PolarHBondContact O-N 3.11Å |
| 32 | E | 93.9 | Very high | 91.6 | Very high | 96 Ų | 96 | 94.9 Ų | 94.9 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.1 | -49.9 | 176 | -74 | 166.9 | 176.2 | 0 | 0 | 110.5 | R28 K29 H30 V34 K35 D36 | R28-E32 WeakPolarHBondContact CD-OE1 3.38Å; R28-E32 HydrophobicContact CG-CG 4.49Å; R28-E32 VanDerWaalsContact CG-OE1 3.3Å; R28-E32 WeakPolarHBondContact CG-OE1 3.2Å; R28-E32 WeakPolarHBondContact O-CG 3.36Å; R28-E32 PolarHBondContact O-N 3.32Å; K29-E32 PolarHBondContact O-N 3.47Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 2.85Å; E32-V34 VanDerWaalsContact C-N 3.28Å; E32-V34 PolarHBondContact O-N 3.39Å; E32-K35 WeakPolarHBondContact O-CB 3.23Å; E32-K35 PolarHBondContact O-N 3.02Å; E32-D36 PolarHBondContact O-N 3.47Å |
| 33 | N | 93.8 | Very high | 90.9 | Very high | 47 Ų | 47 | 92.8 Ų | 92.8 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 177.8 | -73.9 | 14 | 0 | 0 | 0 | 113.1 | Y8 K29 H30 K35 D36 Y37 | Y8-N33 VanDerWaalsContact O-CB 3.23Å; Y8-N33 WeakPolarHBondContact O-CB 3.16Å; Y8-N33 PolarHBondContact O-ND2 3.07Å; K29-N33 WeakPolarHBondContact O-CB 3.5Å; K29-N33 VanDerWaalsContact O-CG 3.27Å; K29-N33 PolarHBondContact O-N 3.39Å; K29-N33 PolarHBondContact O-OD1 3.18Å; H30-N33 PolarHBondContact O-N 3.37Å; N33-K35 VanDerWaalsContact C-N 3.35Å; N33-D36 PolarHBondContact O-N 2.89Å; N33-Y37 WeakPolarHBondContact O-CB 3.42Å; N33-Y37 PolarHBondContact O-N 3.09Å |
| 34 | V | 93.8 | Very high | 90 | Very high | 33 Ų | 33 | 95.1 Ų | 95.1 | 20% | 0.2 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | Y8 H30 E32 Y38 | Y8-V34 HydrophobicContact CD1-CG2 3.95Å; Y8-V34 HydrophobicContact CD2-CG2 3.69Å; Y8-V34 HydrophobicContact CE1-CG2 4.39Å; Y8-V34 HydrophobicContact CE2-CG2 4.15Å; Y8-V34 HydrophobicContact CG-CG2 3.56Å; H30-V34 WeakPolarHBondContact O-CB 3.13Å; H30-V34 WeakPolarHBondContact O-CG2 3.23Å; H30-V34 PolarHBondContact O-N 3.38Å; E32-V34 VanDerWaalsContact C-N 3.28Å; E32-V34 PolarHBondContact O-N 3.39Å; V34-Y38 HydrophobicContact CG1-CD2 4.06Å; V34-Y38 HydrophobicContact CG1-CE2 3.88Å; V34-Y38 WeakPolarHBondContact O-CD2 3.38Å; V34-Y38 PolarHBondContact O-N 3.11Å |
| 35 | K | 92.9 | Very high | 89 | Confident | 148 Ų | 148 | 98.2 Ų | 98.2 | 64% | 0.643 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.2 | -48.4 | 175.8 | -72.4 | 174.1 | -179.8 | -174.3 | 0 | 111.4 | K31 E32 N33 Y37 Y38 Q39 | K31-K35 WeakPolarHBondContact O-CG 3.43Å; K31-K35 PolarHBondContact O-N 3.11Å; E32-K35 WeakPolarHBondContact O-CB 3.23Å; E32-K35 PolarHBondContact O-N 3.02Å; N33-K35 VanDerWaalsContact C-N 3.35Å; K35-Y37 VanDerWaalsContact C-N 3.26Å; K35-Y37 PolarHBondContact O-N 2.97Å; K35-Y38 PolarHBondContact O-N 3.12Å; K35-Q39 WeakPolarHBondContact O-CB 3.23Å; K35-Q39 PolarHBondContact O-N 2.93Å |
| 36 | D | 91.6 | Very high | 88.1 | Confident | 77 Ų | 77 | 98 Ų | 98 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 179.7 | -70.5 | -4.3 | 0 | 0 | 0 | 111.7 | E32 N33 Q39 K40 | E32-D36 PolarHBondContact O-N 3.47Å; N33-D36 PolarHBondContact O-N 2.89Å; D36-Q39 PolarHBondContact O-N 2.76Å; D36-K40 WeakPolarHBondContact O-CB 3.37Å; D36-K40 WeakPolarHBondContact O-CG 3.29Å; D36-K40 PolarHBondContact O-N 3.14Å |
| 37 | Y | 91.3 | Very high | 87.2 | Confident | 128 Ų | 128 | 99.4 Ų | 99.4 | 50% | 0.502 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.1 | -51 | 175.2 | 176.1 | -94.9 | 0 | 0 | 0 | 111.4 | Y8 N33 K35 Q39 W41 | Y8-Y37 HydrophobicContact CD1-CD1 4.35Å; Y8-Y37 HydrophobicContact CD1-CG 4.18Å; Y8-Y37 AromaticContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CD1 3.96Å; Y8-Y37 HydrophobicContact CE1-CE1 4.26Å; Y8-Y37 HydrophobicContact CE1-CG 4.24Å; N33-Y37 WeakPolarHBondContact O-CB 3.42Å; N33-Y37 PolarHBondContact O-N 3.09Å; K35-Y37 VanDerWaalsContact C-N 3.26Å; K35-Y37 PolarHBondContact O-N 2.97Å; Y37-Q39 VanDerWaalsContact C-N 3.33Å; Y37-Q39 PolarHBondContact O-N 2.97Å; Y37-W41 WeakPolarHBondContact O-CB 3.18Å; Y37-W41 PolarHBondContact O-N 2.89Å |
| 38 | Y | 90 | Very high | 86.3 | Confident | 114 Ų | 114 | 100.6 Ų | 100.6 | 45% | 0.447 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.1 | -30.9 | 178.3 | -73.8 | -63.7 | 0 | 0 | 0 | 113 | V34 K35 W41 M42 | V34-Y38 HydrophobicContact CG1-CD2 4.06Å; V34-Y38 HydrophobicContact CG1-CE2 3.88Å; V34-Y38 WeakPolarHBondContact O-CD2 3.38Å; V34-Y38 PolarHBondContact O-N 3.11Å; K35-Y38 PolarHBondContact O-N 3.12Å; Y38-W41 HydrophobicContact CD1-CE3 4.49Å; Y38-W41 PolarHBondContact O-N 3.36Å; Y38-M42 WeakPolarHBondContact O-CG 3.15Å; Y38-M42 PolarHBondContact O-N 3.22Å; Y38-M42 VanDerWaalsContact O-N 3.11Å |
| 39 | Q | 87.3 | Confident | 85.3 | Confident | 119 Ų | 119 | 96.8 Ų | 96.8 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.8 | -49.4 | 176.6 | -175.3 | 138.5 | 28.9 | 0 | 0 | 111.6 | K35 D36 Y37 W41 M42 E43 | K35-Q39 WeakPolarHBondContact O-CB 3.23Å; K35-Q39 PolarHBondContact O-N 2.93Å; D36-Q39 PolarHBondContact O-N 2.76Å; Y37-Q39 VanDerWaalsContact C-N 3.33Å; Y37-Q39 PolarHBondContact O-N 2.97Å; Q39-W41 VanDerWaalsContact C-N 3.27Å; Q39-W41 PolarHBondContact O-N 3.26Å; Q39-M42 PolarHBondContact O-N 3.23Å; Q39-M42 VanDerWaalsContact O-N 3.12Å; Q39-E43 PolarHBondContact O-N 2.92Å; Q39-E43 VanDerWaalsContact O-N 3.09Å |
| 40 | K | 85.8 | Confident | 84.4 | Confident | 129 Ų | 129 | 95 Ų | 95 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.7 | -38.1 | 174.5 | -71.7 | 173 | -177.7 | 173.1 | 0 | 111.9 | D36 M42 E43 E44 | D36-K40 WeakPolarHBondContact O-CB 3.37Å; D36-K40 WeakPolarHBondContact O-CG 3.29Å; D36-K40 PolarHBondContact O-N 3.14Å; K40-M42 VanDerWaalsContact C-N 3.29Å; K40-M42 PolarHBondContact O-N 3.36Å; K40-E43 PolarHBondContact O-N 3.49Å; K40-E44 PolarHBondContact O-N 3.48Å |
| 41 | W | 87.3 | Confident | 83.6 | Confident | 110 Ų | 110 | 98.1 Ų | 98.1 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 175.9 | -177.8 | 66.4 | 0 | 0 | 0 | 112.5 | Y37 Y38 Q39 Q45 | Y37-W41 WeakPolarHBondContact O-CB 3.18Å; Y37-W41 PolarHBondContact O-N 2.89Å; Y38-W41 HydrophobicContact CD1-CE3 4.49Å; Y38-W41 PolarHBondContact O-N 3.36Å; Q39-W41 VanDerWaalsContact C-N 3.27Å; Q39-W41 PolarHBondContact O-N 3.26Å; W41-Q45 WeakPolarHBondContact O-CG 3.43Å; W41-Q45 PolarHBondContact O-N 3.32Å; W41-Q45 VanDerWaalsContact O-N 3.11Å |
| 42 | M | 80.6 | Confident | 82.5 | Confident | 113 Ų | 113 | 99.3 Ų | 99.3 | 56% | 0.557 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69 | -38.1 | 174.6 | -67.7 | -62 | -169.9 | 0 | 0 | 112.5 | Y38 Q39 K40 Q45 A46 | Y38-M42 WeakPolarHBondContact O-CG 3.15Å; Y38-M42 PolarHBondContact O-N 3.22Å; Y38-M42 VanDerWaalsContact O-N 3.11Å; Q39-M42 PolarHBondContact O-N 3.23Å; Q39-M42 VanDerWaalsContact O-N 3.12Å; K40-M42 VanDerWaalsContact C-N 3.29Å; K40-M42 PolarHBondContact O-N 3.36Å; M42-Q45 PolarHBondContact O-N 3.14Å; M42-A46 WeakPolarHBondContact O-CB 3.44Å; M42-A46 PolarHBondContact O-N 2.9Å |
| 43 | E | 78.3 | Confident | 81.3 | Confident | 118 Ų | 118 | 98.6 Ų | 98.6 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 175.2 | -70.4 | 174.4 | -179.6 | 0 | 0 | 111.8 | Q39 K40 Q45 A46 Q47 | Q39-E43 PolarHBondContact O-N 2.92Å; Q39-E43 VanDerWaalsContact O-N 3.09Å; K40-E43 PolarHBondContact O-N 3.49Å; E43-Q45 PolarHBondContact O-N 3.35Å; E43-A46 PolarHBondContact O-N 2.86Å; E43-Q47 WeakPolarHBondContact O-CB 3.37Å; E43-Q47 PolarHBondContact O-N 3.1Å |
| 44 | E | 72.6 | Confident | 80.2 | Confident | 139 Ų | 139 | 99.2 Ų | 99.2 | 65% | 0.65 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 175.6 | -74.9 | -177 | 168.3 | 0 | 0 | 112.2 | K40 Q47 S48 | K40-E44 PolarHBondContact O-N 3.48Å; E44-Q47 PolarHBondContact O-N 3.14Å; E44-S48 PolarHBondContact O-N 3.37Å |
| 45 | Q | 72.7 | Confident | 78.9 | Confident | 101 Ų | 101 | 99.9 Ų | 99.9 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 174.4 | -72.8 | -134.2 | 93 | 0 | 0 | 112.2 | W41 M42 E43 S48 L49 | W41-Q45 WeakPolarHBondContact O-CG 3.43Å; W41-Q45 PolarHBondContact O-N 3.32Å; W41-Q45 VanDerWaalsContact O-N 3.11Å; M42-Q45 PolarHBondContact O-N 3.14Å; E43-Q45 PolarHBondContact O-N 3.35Å; Q45-S48 PolarHBondContact O-N 2.8Å; Q45-L49 PolarHBondContact O-N 3.26Å |
| 46 | A | 71.9 | Confident | 77.4 | Confident | 48 Ų | 48 | 94.8 Ų | 94.8 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | M42 E43 S48 L49 I50 | M42-A46 WeakPolarHBondContact O-CB 3.44Å; M42-A46 PolarHBondContact O-N 2.9Å; E43-A46 PolarHBondContact O-N 2.86Å; A46-S48 PolarHBondContact O-N 3.15Å; A46-L49 WeakPolarHBondContact O-CB 3.5Å; A46-L49 PolarHBondContact O-N 3.29Å; A46-L49 VanDerWaalsContact O-N 3.16Å; A46-I50 WeakPolarHBondContact O-CG1 3.29Å; A46-I50 PolarHBondContact O-N 2.96Å |
| 47 | Q | 75.6 | Confident | 75.9 | Confident | 93 Ų | 93 | 96.9 Ų | 96.9 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 178.3 | -167.4 | 60.9 | 52 | 0 | 0 | 111.7 | E43 E44 L49 I50 D51 | E43-Q47 WeakPolarHBondContact O-CB 3.37Å; E43-Q47 PolarHBondContact O-N 3.1Å; E44-Q47 PolarHBondContact O-N 3.14Å; Q47-L49 PolarHBondContact O-N 3.47Å; Q47-I50 PolarHBondContact O-N 3.28Å; Q47-I50 VanDerWaalsContact O-N 3.11Å; Q47-D51 PolarHBondContact NE2-OD1 3.03Å; Q47-D51 WeakPolarHBondContact O-CB 3.28Å; Q47-D51 PolarHBondContact O-N 3.38Å |
| 48 | S | 74.7 | Confident | 74.6 | Confident | 50 Ų | 50 | 98.4 Ų | 98.4 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.4 | -36.7 | 174.7 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | E44 Q45 A46 K52 | E44-S48 PolarHBondContact O-N 3.37Å; Q45-S48 PolarHBondContact O-N 2.8Å; A46-S48 PolarHBondContact O-N 3.15Å; S48-K52 WeakPolarHBondContact O-CD 3.43Å; S48-K52 VanDerWaalsContact O-CG 3.25Å; S48-K52 WeakPolarHBondContact O-CG 3.34Å; S48-K52 PolarHBondContact O-N 3.43Å; S48-K52 PolarHBondContact OG-NZ 3.4Å |
| 49 | L | 72.6 | Confident | 73.1 | Confident | 111 Ų | 111 | 99.5 Ų | 99.5 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.7 | -39 | 176 | -71.8 | 166.2 | 0 | 0 | 0 | 112.1 | Q45 A46 Q47 T53 | Q45-L49 PolarHBondContact O-N 3.26Å; A46-L49 WeakPolarHBondContact O-CB 3.5Å; A46-L49 PolarHBondContact O-N 3.29Å; A46-L49 VanDerWaalsContact O-N 3.16Å; Q47-L49 PolarHBondContact O-N 3.47Å; L49-T53 WeakPolarHBondContact O-CB 3.29Å; L49-T53 PolarHBondContact O-N 3.29Å; L49-T53 PolarHBondContact O-OG1 3.48Å |
| 50 | I | 75.4 | Confident | 71.6 | Confident | 85 Ų | 85 | 97 Ų | 97 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.7 | -65.8 | 166.6 | 0 | 0 | 0 | 110.3 | A46 Q47 K52 T53 T54 | A46-I50 WeakPolarHBondContact O-CG1 3.29Å; A46-I50 PolarHBondContact O-N 2.96Å; Q47-I50 PolarHBondContact O-N 3.28Å; Q47-I50 VanDerWaalsContact O-N 3.11Å; I50-K52 PolarHBondContact O-N 3.18Å; I50-T53 PolarHBondContact O-N 2.91Å; I50-T54 VanDerWaalsContact O-CB 3.24Å; I50-T54 WeakPolarHBondContact O-CB 3.49Å; I50-T54 PolarHBondContact O-N 2.58Å; I50-T54 PolarHBondContact O-OG1 3.48Å |
| 51 | D | 78.3 | Confident | 70.1 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | -179.6 | -65.9 | -16.7 | 0 | 0 | 0 | 111 | Q47 A55 | Q47-D51 PolarHBondContact NE2-OD1 3.03Å; Q47-D51 WeakPolarHBondContact O-CB 3.28Å; Q47-D51 PolarHBondContact O-N 3.38Å; D51-A55 WeakPolarHBondContact O-CB 3.3Å; D51-A55 PolarHBondContact O-N 2.87Å |
| 52 | K | 72.2 | Confident | 68.4 | Low | 136 Ų | 136 | 98.1 Ų | 98.1 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 174.7 | -73.7 | 166.8 | -176.9 | 157.4 | 0 | 112.2 | S48 I50 A56 | S48-K52 WeakPolarHBondContact O-CD 3.43Å; S48-K52 VanDerWaalsContact O-CG 3.25Å; S48-K52 WeakPolarHBondContact O-CG 3.34Å; S48-K52 PolarHBondContact O-N 3.43Å; S48-K52 PolarHBondContact OG-NZ 3.4Å; I50-K52 PolarHBondContact O-N 3.18Å; K52-A56 WeakPolarHBondContact O-CB 3.14Å; K52-A56 PolarHBondContact O-N 2.95Å |
| 53 | T | 67.9 | Low | 67.1 | Low | 82 Ų | 82 | 97.4 Ų | 97.4 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | L49 I50 A56 F57 | L49-T53 WeakPolarHBondContact O-CB 3.29Å; L49-T53 PolarHBondContact O-N 3.29Å; L49-T53 PolarHBondContact O-OG1 3.48Å; I50-T53 PolarHBondContact O-N 2.91Å; T53-A56 PolarHBondContact O-N 3.47Å; T53-F57 WeakPolarHBondContact O-CB 3.39Å; T53-F57 PolarHBondContact O-N 3.25Å |
| 54 | T | 70.5 | Confident | 65.9 | Low | 60 Ų | 60 | 97.6 Ų | 97.6 | 37% | 0.368 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 178.9 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | I50 A56 F57 Q58 | I50-T54 VanDerWaalsContact O-CB 3.24Å; I50-T54 WeakPolarHBondContact O-CB 3.49Å; I50-T54 PolarHBondContact O-N 2.58Å; I50-T54 PolarHBondContact O-OG1 3.48Å; T54-A56 VanDerWaalsContact C-N 3.35Å; T54-F57 PolarHBondContact O-N 3.33Å; T54-Q58 WeakPolarHBondContact O-CB 3.5Å; T54-Q58 PolarHBondContact O-N 2.89Å |
| 55 | A | 67.4 | Low | 65.1 | Low | 46 Ų | 46 | 94.2 Ų | 94.2 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D51 Q58 Q59 | D51-A55 WeakPolarHBondContact O-CB 3.3Å; D51-A55 PolarHBondContact O-N 2.87Å; A55-Q58 PolarHBondContact O-N 3.4Å; A55-Q59 WeakPolarHBondContact O-CB 3.39Å; A55-Q59 WeakPolarHBondContact O-CG 3.41Å; A55-Q59 PolarHBondContact O-N 3.17Å |
| 56 | A | 61.2 | Low | 64.5 | Low | 42 Ų | 42 | 95.2 Ų | 95.2 | 35% | 0.347 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K52 T53 T54 | K52-A56 WeakPolarHBondContact O-CB 3.14Å; K52-A56 PolarHBondContact O-N 2.95Å; T53-A56 PolarHBondContact O-N 3.47Å; T54-A56 VanDerWaalsContact C-N 3.35Å |
| 57 | F | 60.3 | Low | 63.8 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 53% | 0.526 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.9 | -42.9 | 175.6 | -131 | -81.2 | 0 | 0 | 0 | 112 | T53 T54 Q59 G60 M62 | T53-F57 WeakPolarHBondContact O-CB 3.39Å; T53-F57 PolarHBondContact O-N 3.25Å; T54-F57 PolarHBondContact O-N 3.33Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 3.03Å; F57-G60 PolarHBondContact O-N 2.91Å; F57-G60 VanDerWaalsContact O-N 3.16Å; F57-M62 HydrophobicContact CB-SD 4.2Å; F57-M62 HydrophobicContact CD1-CG 4.46Å; F57-M62 HydrophobicContact CD2-CE 3.42Å; F57-M62 VanDerWaalsContact CD2-CE 3.42Å; F57-M62 HydrophobicContact CD2-CG 3.85Å; F57-M62 HydrophobicContact CD2-SD 3.29Å; F57-M62 WeakPolarHBondContact CD2-SD 3.46Å; F57-M62 HydrophobicContact CE2-CE 3.37Å; F57-M62 HydrophobicContact CE2-CG 3.96Å; F57-M62 HydrophobicContact CE2-SD 3.78Å; F57-M62 HydrophobicContact CG-CG 4.11Å; F57-M62 HydrophobicContact CG-SD 3.86Å; F57-M62 HydrophobicContact CZ-CE 4.41Å; F57-M62 HydrophobicContact CZ-CG 4.32Å |
| 58 | Q | 63 | Low | 62.4 | Low | 161 Ų | 161 | 102.4 Ų | 102.4 | 75% | 0.752 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.6 | -26.4 | 175.9 | -83.5 | 174.3 | 44.8 | 0 | 0 | 113 | T54 A55 G60 | T54-Q58 WeakPolarHBondContact O-CB 3.5Å; T54-Q58 PolarHBondContact O-N 2.89Å; A55-Q58 PolarHBondContact O-N 3.4Å; Q58-G60 PolarHBondContact O-N 3.34Å |
| 59 | Q | 59.1 | Low | 61.7 | Low | 136 Ų | 136 | 103.6 Ų | 103.6 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 1.8 | 172.7 | -74.8 | 174.6 | 7.8 | 0 | 0 | 113.7 | A55 F57 K61 | A55-Q59 WeakPolarHBondContact O-CB 3.39Å; A55-Q59 WeakPolarHBondContact O-CG 3.41Å; A55-Q59 PolarHBondContact O-N 3.17Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 3.03Å; Q59-K61 VanDerWaalsContact C-N 3.3Å; Q59-K61 PolarHBondContact O-N 3.17Å |
| 60 | G | 56.3 | Low | 60.9 | Low | 66 Ų | 66 | 101.2 Ų | 101.2 | 68% | 0.68 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.7 | 20.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F57 Q58 | F57-G60 PolarHBondContact O-N 2.91Å; F57-G60 VanDerWaalsContact O-N 3.16Å; Q58-G60 PolarHBondContact O-N 3.34Å |
| 61 | K | 54.7 | Low | 59.9 | Low | 181 Ų | 181 | 102.6 Ų | 102.6 | 79% | 0.787 | 60% | 0.604 | S | S | * | * | trans | -99.9 | 10.9 | -175.8 | -72 | -178 | -179.1 | 175.7 | 0 | 115.1 | Q59 | Q59-K61 VanDerWaalsContact C-N 3.3Å; Q59-K61 PolarHBondContact O-N 3.17Å | ||
| 62 | M | 50.3 | Low | 58.8 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 40% | 0.404 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -125.3 | 124.1 | 175.6 | 46.1 | -148.5 | -62.6 | 0 | 0 | 110.7 | F57 | F57-M62 HydrophobicContact CB-SD 4.2Å; F57-M62 HydrophobicContact CD1-CG 4.46Å; F57-M62 HydrophobicContact CD2-CE 3.42Å; F57-M62 VanDerWaalsContact CD2-CE 3.42Å; F57-M62 HydrophobicContact CD2-CG 3.85Å; F57-M62 HydrophobicContact CD2-SD 3.29Å; F57-M62 WeakPolarHBondContact CD2-SD 3.46Å; F57-M62 HydrophobicContact CE2-CE 3.37Å; F57-M62 HydrophobicContact CE2-CG 3.96Å; F57-M62 HydrophobicContact CE2-SD 3.78Å; F57-M62 HydrophobicContact CG-CG 4.11Å; F57-M62 HydrophobicContact CG-SD 3.86Å; F57-M62 HydrophobicContact CZ-CE 4.41Å; F57-M62 HydrophobicContact CZ-CG 4.32Å |
| 63 | P | 53.1 | Low | 58 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | trans | -62.6 | 145.4 | 177.8 | 26.2 | -32.4 | 0 | 0 | 0 | 109.7 | T65 | P63-T65 PolarHBondContact O-N 3.4Š| ||
| 64 | P | 54.3 | Low | 57.5 | Low | 123 Ų | 123 | 104 Ų | 104 | 80% | 0.799 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -69.3 | 15.9 | -173.3 | 28 | -34.6 | 0 | 0 | 0 | 114.8 | ||
| 65 | T | 56 | Low | 56.8 | Low | 67 Ų | 67 | 104.6 Ų | 104.6 | 41% | 0.411 | 67% | 0.667 | S | S | . | * | trans | -147.1 | 113.4 | -175.7 | 29.4 | 0 | 0 | 0 | 0 | 109.8 | P63 F67 | P63-T65 PolarHBondContact O-N 3.4Å; T65-F67 PolarHBondContact O-N 3.49Å | ||
| 66 | P | 59.8 | Low | 56 | Low | 122 Ų | 122 | 106.7 Ų | 106.7 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -67.6 | -9.6 | 170.3 | -15.8 | 29.4 | 0 | 0 | 0 | 112.9 | ||
| 67 | F | 57.7 | Low | 55.8 | Low | 154 Ų | 154 | 113.6 Ų | 113.6 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -128.8 | 116.7 | -176.2 | -72.4 | -84.4 | 0 | 0 | 0 | 110.8 | T65 G69 | T65-F67 PolarHBondContact O-N 3.49Å; F67-G69 PolarHBondContact O-N 3.15Å |
| 68 | P | 46.1 | Very low | 55.6 | Low | 138 Ų | 138 | 115.1 Ų | 115.1 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 104.6 | 168.1 | -8.1 | 23.2 | 0 | 0 | 0 | 108.3 | ||
| 69 | G | 59.1 | Low | 55.3 | Low | 76 Ų | 76 | 112.3 Ų | 112.3 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132 | 1.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | F67 | F67-G69 PolarHBondContact O-N 3.15Š|
| 70 | A | 57.3 | Low | 55.2 | Low | 60 Ų | 60 | 111.3 Ų | 111.3 | 50% | 0.496 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -73.4 | 131.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 71 | P | 53.3 | Low | 55 | Low | 114 Ų | 114 | 114 Ų | 114 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 154.5 | 176.3 | -12.4 | 26.1 | 0 | 0 | 0 | 111.1 | ||
| 72 | P | 56 | Low | 55 | Low | 110 Ų | 110 | 111.8 Ų | 111.8 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146 | -176.7 | 22.4 | -32.1 | 0 | 0 | 0 | 112.1 | G74 | P72-G74 VanDerWaalsContact C-N 3.27Å; P72-G74 PolarHBondContact O-N 2.93Å |
| 73 | P | 55.2 | Low | 55.4 | Low | 144 Ų | 144 | 115.7 Ų | 115.7 | 94% | 0.935 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 84.5 | 179.5 | 30.5 | -32.2 | 0 | 0 | 0 | 109.3 | ||
| 74 | G | 57.2 | Low | 55.6 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.4 | 4.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P72 | P72-G74 VanDerWaalsContact C-N 3.27Å; P72-G74 PolarHBondContact O-N 2.93Å |
| 75 | G | 54.8 | Low | 55.5 | Low | 74 Ų | 74 | 114.8 Ų | 114.8 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | trans | -127.8 | 6.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 76 | A | 52.1 | Low | 55.7 | Low | 89 Ų | 89 | 117.3 Ų | 117.3 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -104.1 | 81 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I78 | A76-I78 PolarHBondContact O-N 2.92Š| ||
| 77 | M | 55.8 | Low | 55.3 | Low | 187 Ų | 187 | 117.1 Ų | 117.1 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -57 | 102.9 | 154.6 | -76.1 | -96.9 | -140.2 | 0 | 0 | 106.9 | P79 | M77-P79 WeakPolarHBondContact O-CD 3.41Š| ||
| 78 | I | 57.7 | Low | 55.3 | Low | 153 Ų | 153 | 121.3 Ų | 121.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -70.3 | 113.1 | 169.8 | -59 | -169.8 | 0 | 0 | 0 | 106.3 | A76 | A76-I78 PolarHBondContact O-N 2.92Š| ||
| 79 | P | 55.5 | Low | 55.3 | Low | 102 Ų | 102 | 121.1 Ų | 121.1 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | trans | -66 | 142.9 | 174.6 | 27.5 | -31.8 | 0 | 0 | 0 | 109.2 | M77 | M77-P79 WeakPolarHBondContact O-CD 3.41Š| ||
| 80 | P | 56.9 | Low | 55 | Low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -58.8 | 145.7 | -178.3 | 22.7 | -31.9 | 0 | 0 | 0 | 110.9 | N82 | P80-N82 PolarHBondContact O-N 3.02Š| ||
| 81 | P | 52.8 | Low | 54.9 | Low | 122 Ų | 122 | 127.1 Ų | 127.1 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -62.9 | 107.2 | 179.4 | -15.5 | 28.4 | 0 | 0 | 0 | 109.5 | L83 | P81-L83 PolarHBondContact O-N 2.87Å; P81-L83 VanDerWaalsContact O-N 3.14Å | ||
| 82 | N | 54.3 | Low | 54.8 | Low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -64.2 | 111.8 | 169.7 | -173.3 | -5.1 | 0 | 0 | 0 | 108 | P80 N84 | P80-N82 PolarHBondContact O-N 3.02Å; N82-N84 PolarHBondContact O-N 3Å; N82-N84 VanDerWaalsContact O-N 3.1Å; N82-N84 PolarHBondContact OD1-N 3.29Å | ||
| 83 | L | 59.5 | Low | 54.6 | Low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -70.4 | 5.7 | -178.5 | -85 | 161.7 | 0 | 0 | 0 | 114.1 | P81 | P81-L83 PolarHBondContact O-N 2.87Å; P81-L83 VanDerWaalsContact O-N 3.14Å |
| 84 | N | 56 | Low | 54.6 | Low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -123.6 | 81.5 | 179.1 | -75 | 34.1 | 0 | 0 | 0 | 111 | N82 | N82-N84 PolarHBondContact O-N 3Å; N82-N84 VanDerWaalsContact O-N 3.1Å; N82-N84 PolarHBondContact OD1-N 3.29Å | ||
| 85 | G | 53 | Low | 54.1 | Low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 144.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 86 | P | 60.4 | Low | 54 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 158.1 | -176.7 | 26.4 | -32.7 | 0 | 0 | 0 | 113.4 | R88 | P86-R88 PolarHBondContact O-N 2.98Š|
| 87 | P | 51.6 | Low | 54 | Low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 130.6 | -169.2 | 27 | -33.5 | 0 | 0 | 0 | 111 | P89 | P87-P89 WeakPolarHBondContact O-CD 3.27Š|
| 88 | R | 56 | Low | 53.9 | Low | 242 Ų | 242 | 136.2 Ų | 136.2 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -61.7 | 115.6 | 176.5 | -72.8 | 174.2 | 163.7 | -103.1 | -0.7 | 110.2 | P86 | P86-R88 PolarHBondContact O-N 2.98Š| ||
| 89 | P | 47.6 | Very low | 53.8 | Low | 134 Ų | 134 | 132 Ų | 132 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -79.6 | 120.2 | 169.1 | -7.6 | 27.1 | 0 | 0 | 0 | 108.4 | P87 | P87-P89 WeakPolarHBondContact O-CD 3.27Š| ||
| 90 | G | 51 | Low | 53.6 | Low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 147.2 | 27.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | L92 | G90-L92 PolarHBondContact O-N 3.29Š| ||
| 91 | M | 55.2 | Low | 53.3 | Low | 194 Ų | 194 | 133.4 Ų | 133.4 | 96% | 0.956 | 80% | 0.804 | S | S | * | * | trans | -65.7 | 99.2 | 160.2 | -82.5 | 176.5 | 80.2 | 0 | 0 | 108.5 | ||||
| 92 | L | 52.2 | Low | 53.6 | Low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 131.6 | 162 | -120.7 | 73.1 | 0 | 0 | 0 | 108.1 | G90 T94 | G90-L92 PolarHBondContact O-N 3.29Å; L92-T94 PolarHBondContact O-N 3.49Å |
| 93 | P | 51.4 | Low | 53.8 | Low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 119.6 | 176.7 | 27 | -31 | 0 | 0 | 0 | 109.6 | P95 | P93-P95 WeakPolarHBondContact O-CD 3.27Š|
| 94 | T | 54.6 | Low | 53.5 | Low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.3 | 166.7 | 36 | 0 | 0 | 0 | 0 | 109.8 | L92 Q96 | L92-T94 PolarHBondContact O-N 3.49Å; T94-Q96 PolarHBondContact O-N 3.4Å |
| 95 | P | 46.7 | Very low | 53.4 | Low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.1 | 172.4 | -20.5 | 32.1 | 0 | 0 | 0 | 110.8 | P93 M97 | P93-P95 WeakPolarHBondContact O-CD 3.27Å; P95-M97 PolarHBondContact O-N 2.94Å |
| 96 | Q | 54.6 | Low | 53.3 | Low | 198 Ų | 198 | 144.5 Ų | 144.5 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -59.9 | 92.2 | 169.6 | -176.2 | 175.1 | -71.4 | 0 | 0 | 109.8 | T94 | T94-Q96 PolarHBondContact O-N 3.4Š| ||
| 97 | M | 51.4 | Low | 52.3 | Low | 187 Ų | 187 | 142.2 Ų | 142.2 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -80.3 | 115.3 | 166.1 | -106.8 | -160 | -176.8 | 0 | 0 | 108.7 | P95 G99 | P95-M97 PolarHBondContact O-N 2.94Å; M97-G99 PolarHBondContact O-N 3.33Å | ||
| 98 | G | 54 | Low | 52 | Low | 80 Ų | 80 | 140.3 Ų | 140.3 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61 | 121.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 99 | G | 54.1 | Low | 51.8 | Low | 64 Ų | 64 | 138.3 Ų | 138.3 | 66% | 0.66 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 148.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | M97 | M97-G99 PolarHBondContact O-N 3.33Š|
| 100 | P | 52.8 | Low | 52 | Low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 161.2 | -175.6 | 29.2 | -33.6 | 0 | 0 | 0 | 113 | ||
| 101 | P | 50.7 | Low | 52.5 | Low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72 | 137.2 | -157.1 | 28.1 | -34.6 | 0 | 0 | 0 | 114.1 | M103 | P101-M103 PolarHBondContact O-N 2.67Š|
| 102 | M | 59.3 | Low | 52.5 | Low | 190 Ų | 190 | 133.7 Ų | 133.7 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 117.4 | 169.4 | -164.5 | 176.7 | -168.1 | 0 | 0 | 109.5 | ||
| 103 | M | 57.1 | Low | 52.8 | Low | 170 Ų | 170 | 132.5 Ų | 132.5 | 84% | 0.837 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 133.8 | 172.4 | -74.5 | -92.2 | -176.6 | 0 | 0 | 110.3 | P101 M105 | P101-M103 PolarHBondContact O-N 2.67Å; M103-M105 PolarHBondContact O-N 3.35Å |
| 104 | P | 54.4 | Low | 52.7 | Low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -81.4 | 109.4 | 172.8 | 30.3 | -28.9 | 0 | 0 | 0 | 109.9 | M106 | P104-M106 VanDerWaalsContact C-N 3.27Å; P104-M106 PolarHBondContact O-N 3.02Å | ||
| 105 | M | 52.7 | Low | 52.4 | Low | 191 Ų | 191 | 130.3 Ų | 130.3 | 94% | 0.941 | 83% | 0.825 | S | S | * | * | trans | -79.8 | 81.1 | 169.4 | -168.9 | -176.7 | 165.6 | 0 | 0 | 109.4 | M103 | M103-M105 PolarHBondContact O-N 3.35Š| ||
| 106 | M | 51.5 | Low | 52.5 | Low | 188 Ų | 188 | 134 Ų | 134 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | trans | -95.2 | 122.6 | 165.5 | -173.7 | 178.7 | -178.8 | 0 | 0 | 109.2 | P104 | P104-M106 VanDerWaalsContact C-N 3.27Å; P104-M106 PolarHBondContact O-N 3.02Å | ||
| 107 | G | 40.5 | Very low | 52.4 | Low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | 113.8 | 126.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 108 | G | 44.7 | Very low | 51.9 | Low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 146.5 | 83.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G110 | G108-G110 PolarHBondContact O-N 3.37Š| ||
| 109 | M | 52.3 | Low | 51.6 | Low | 200 Ų | 200 | 128.3 Ų | 128.3 | 99% | 0.985 | 83% | 0.825 | S | S | * | * | trans | -54.9 | 118.5 | 158.5 | -74.5 | 137 | 73.9 | 0 | 0 | 109.9 | ||||
| 110 | G | 50.3 | Low | 51.1 | Low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | -109.3 | 128.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G108 | G108-G110 PolarHBondContact O-N 3.37Š| ||
| 111 | P | 61.8 | Low | 51 | Low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 163.9 | -178.4 | 29.1 | -32.3 | 0 | 0 | 0 | 113.8 | ||
| 112 | P | 56.1 | Low | 51.1 | Low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 162.2 | -158.4 | 34.3 | -36.1 | 0 | 0 | 0 | 113.4 | P114 | P112-P114 WeakPolarHBondContact O-CD 3.44Š|
| 113 | P | 56.9 | Low | 50.8 | Low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 120.9 | -179.5 | 29.4 | -31.6 | 0 | 0 | 0 | 111.9 | ||
| 114 | P | 51.1 | Low | 50.7 | Low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 125.6 | 171.6 | -4.9 | 27.4 | 0 | 0 | 0 | 111.1 | P112 | P112-P114 WeakPolarHBondContact O-CD 3.44Š|
| 115 | G | 47 | Very low | 50.8 | Low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | 94.2 | 97.7 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 116 | M | 50 | Low | 50.8 | Low | 199 Ų | 199 | 132.6 Ų | 132.6 | 98% | 0.98 | 84% | 0.837 | S | S | * | * | trans | -142.7 | 103.1 | 133.2 | -126.9 | 170.8 | 131.3 | 0 | 0 | 109.7 | ||||
| 117 | M | 52.1 | Low | 50.4 | Low | 197 Ų | 197 | 127.3 Ų | 127.3 | 97% | 0.97 | 83% | 0.831 | S | S | * | * | trans | -79.8 | 134.6 | 171.7 | 167.4 | 175.4 | 165.2 | 0 | 0 | 109.2 | ||||
| 118 | G | 39.8 | Very low | 50.4 | Low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | 165.1 | 96.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 119 | G | 49.5 | Very low | 50.6 | Low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | trans | -67.1 | 161.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 120 | P | 42.5 | Very low | 50.3 | Low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | -143.5 | 160.5 | 83.2 | 27.4 | -6.1 | 0 | 0 | 0 | 114 | |||||
| 121 | G | 51.3 | Low | 50.4 | Low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -58 | 145.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 122 | M | 51.6 | Low | 49.8 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -144.3 | 98.4 | 154.4 | -91.8 | 151.6 | -172.5 | 0 | 0 | 106.8 | ||||
| 123 | R | 52.9 | Low | 49.5 | Very low | 237 Ų | 237 | 143.3 Ų | 143.3 | 89% | 0.894 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 128.6 | 167.6 | -67 | 160.1 | 69.9 | -138.3 | 5.7 | 107.4 | ||
| 124 | P | 54.8 | Low | 49.2 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 141.4 | 165.9 | 24.9 | -29.6 | 0 | 0 | 0 | 109.6 | M126 | P124-M126 PolarHBondContact O-N 3.09Š|
| 125 | P | 58.3 | Low | 48.9 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124.5 | -173.4 | 25.5 | -32.7 | 0 | 0 | 0 | 111.6 | ||
| 126 | M | 52.2 | Low | 48.7 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 128 | 160.4 | -163.8 | -147.2 | -166.3 | 0 | 0 | 108.1 | P124 | P124-M126 PolarHBondContact O-N 3.09Š|
| 127 | G | 43.2 | Very low | 48.7 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 133 | 114.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 128 | G | 40.4 | Very low | 48.8 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 147.6 | 45.5 | 164 | 0 | 0 | 0 | 0 | 0 | 116.2 | M130 | G128-M130 PolarHBondContact O-N 2.9Š| ||
| 129 | R | 48.6 | Very low | 49.3 | Very low | 221 Ų | 221 | 145 Ų | 145 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -64.7 | 109.7 | 151.7 | 68.8 | -167.2 | -178.1 | -88.5 | -5.3 | 106 | ||||
| 130 | M | 46.3 | Very low | 49.6 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -123.4 | 113.6 | 166.8 | -137.2 | 75.7 | 172.3 | 0 | 0 | 107.6 | G128 | G128-M130 PolarHBondContact O-N 2.9Š| ||
| 131 | Q | 51.8 | Low | 50.4 | Low | 153 Ų | 153 | 150.7 Ų | 150.7 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 148.3 | 176 | -81.5 | 139.9 | 30.6 | 0 | 0 | 111 | ||||
| 132 | M | 49.9 | Very low | 50.6 | Low | 175 Ų | 175 | 152.7 Ų | 152.7 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | 60.8 | 121 | 145 | -68.5 | 175.1 | 163.5 | 0 | 0 | 119.6 | ||||
| 133 | M | 48.9 | Very low | 50.5 | Low | 180 Ų | 180 | 147.3 Ų | 147.3 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | -164.1 | 152 | 96 | -94.3 | -144.2 | 108.1 | 0 | 0 | 112.9 | |||||
| 134 | P | 50.4 | Low | 50.6 | Low | 109 Ų | 109 | 144.3 Ų | 144.3 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -93.8 | 139.9 | 179.5 | 35.7 | -27 | 0 | 0 | 0 | 112.2 | ||||
| 135 | G | 46.2 | Very low | 50.4 | Low | 63 Ų | 63 | 143.8 Ų | 143.8 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | trans | 82.5 | 109.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 136 | H | 43.1 | Very low | 50.2 | Low | 169 Ų | 169 | 146 Ų | 146 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -175.3 | 163.9 | 131 | 29.6 | -131 | 0 | 0 | 0 | 110.5 | ||||
| 137 | H | 49.4 | Very low | 50.4 | Low | 155 Ų | 155 | 144.7 Ų | 144.7 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | 75.2 | 75.1 | 169.6 | 63.2 | -90.7 | 0 | 0 | 0 | 118.7 | M139 | H137-M139 PolarHBondContact O-N 2.98Š| ||
| 138 | M | 53.2 | Low | 50.9 | Low | 172 Ų | 172 | 150 Ų | 150 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -47.9 | 121 | 138.4 | -67.1 | -171.9 | -171.4 | 0 | 0 | 109.8 | ||||
| 139 | M | 51.9 | Low | 51.6 | Low | 169 Ų | 169 | 157 Ų | 157 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -127.1 | 86.7 | 157.7 | -79.9 | -68.4 | 153.4 | 0 | 0 | 107.9 | H137 | H137-M139 PolarHBondContact O-N 2.98Š| ||
| 140 | R | 54.9 | Low | 51.6 | Low | 217 Ų | 217 | 151.6 Ų | 151.6 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 121.6 | 165.1 | 179.8 | 155.4 | 64.7 | -142.8 | 5 | 107.2 | ||
| 141 | P | 59.2 | Low | 51.8 | Low | 108 Ų | 108 | 151.6 Ų | 151.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 141.1 | 170.7 | -15.5 | 28.8 | 0 | 0 | 0 | 109.6 | G143 | P141-G143 PolarHBondContact O-N 3.19Š|
| 142 | P | 56.1 | Low | 52 | Low | 118 Ų | 118 | 151.7 Ų | 151.7 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 129.6 | 174.2 | 24.6 | -30.2 | 0 | 0 | 0 | 109.9 | H144 | P142-H144 PolarHBondContact O-N 3.3Š|
| 143 | G | 49.7 | Very low | 52.2 | Low | 73 Ų | 73 | 147.8 Ų | 147.8 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59 | 118.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P141 | P141-G143 PolarHBondContact O-N 3.19Š|
| 144 | H | 53.3 | Low | 52.7 | Low | 173 Ų | 173 | 150.4 Ų | 150.4 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 121.5 | 161.1 | -87.6 | -38.3 | 0 | 0 | 0 | 108.7 | P142 M146 | P142-H144 PolarHBondContact O-N 3.3Å; H144-M146 PolarHBondContact O-N 3.32Å; H144-M146 VanDerWaalsContact O-N 3.15Å |
| 145 | P | 52.3 | Low | 53.3 | Low | 106 Ų | 106 | 151.3 Ų | 151.3 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | trans | -68.7 | 111.6 | 163 | 27.7 | -29 | 0 | 0 | 0 | 107.5 | M147 | P145-M147 VanDerWaalsContact C-N 3.32Å; P145-M147 PolarHBondContact O-N 3.28Å | ||
| 146 | M | 53.8 | Low | 53.6 | Low | 178 Ų | 178 | 156.2 Ų | 156.2 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -62.8 | 96.4 | 166.9 | -70.4 | -69.6 | -155.1 | 0 | 0 | 107.9 | H144 M148 | H144-M146 PolarHBondContact O-N 3.32Å; H144-M146 VanDerWaalsContact O-N 3.15Å; M146-M148 PolarHBondContact O-N 2.94Å; M146-M148 VanDerWaalsContact O-N 3.16Å | ||
| 147 | M | 55.6 | Low | 53.9 | Low | 167 Ų | 167 | 163 Ų | 163 | 82% | 0.823 | 82% | 0.824 | S | S | * | * | trans | -63.9 | 114.5 | 166.1 | -69.3 | -169.3 | 177.9 | 0 | 0 | 107.8 | P145 R149 | P145-M147 VanDerWaalsContact C-N 3.32Å; P145-M147 PolarHBondContact O-N 3.28Å; M147-R149 PolarHBondContact O-N 3.35Å | ||
| 148 | M | 53 | Low | 54.1 | Low | 188 Ų | 188 | 163.5 Ų | 163.5 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | trans | -51.2 | 111.1 | 168.4 | -73.1 | 162.1 | 159.6 | 0 | 0 | 108.7 | M146 P150 | M146-M148 PolarHBondContact O-N 2.94Å; M146-M148 VanDerWaalsContact O-N 3.16Å; M148-P150 WeakPolarHBondContact O-CD 3.14Å | ||
| 149 | R | 55.6 | Low | 54.1 | Low | 218 Ų | 218 | 163 Ų | 163 | 82% | 0.823 | 83% | 0.828 | S | S | * | * | trans | -71 | 124.8 | 169.9 | -70.9 | 173.2 | 74.2 | -125.4 | 5.1 | 107.7 | M147 M151 | M147-R149 PolarHBondContact O-N 3.35Å; R149-M151 PolarHBondContact O-N 3.39Å | ||
| 150 | P | 49.6 | Very low | 54.3 | Low | 109 Ų | 109 | 162.7 Ų | 162.7 | 71% | 0.708 | 83% | 0.828 | S | S | * | * | trans | -64.8 | 131.6 | 172.6 | -17.4 | 30.7 | 0 | 0 | 0 | 110.1 | M148 M152 | M148-P150 WeakPolarHBondContact O-CD 3.14Å; P150-M152 PolarHBondContact O-N 3.4Å | ||
| 151 | M | 49.5 | Very low | 54.2 | Low | 183 Ų | 183 | 159.5 Ų | 159.5 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | trans | -52 | 106.2 | 171.5 | -173.9 | 78.8 | 174.2 | 0 | 0 | 110 | R149 A153 | R149-M151 PolarHBondContact O-N 3.39Å; M151-A153 PolarHBondContact O-N 3Å; M151-A153 VanDerWaalsContact O-N 3.17Å | ||
| 152 | M | 55.5 | Low | 53.9 | Low | 156 Ų | 156 | 162.7 Ų | 162.7 | 77% | 0.768 | 84% | 0.836 | S | S | * | * | trans | -74.6 | 105.9 | 169.1 | -75.1 | 158.1 | -161 | 0 | 0 | 107.9 | P150 R154 | P150-M152 PolarHBondContact O-N 3.4Å; M152-R154 PolarHBondContact O-N 3.27Å | ||
| 153 | A | 54.5 | Low | 53.8 | Low | 92 Ų | 92 | 165.7 Ų | 165.7 | 76% | 0.76 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 123.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | M151 | M151-A153 PolarHBondContact O-N 3Å; M151-A153 VanDerWaalsContact O-N 3.17Å |
| 154 | R | 60.2 | Low | 54.1 | Low | 235 Ų | 235 | 172.3 Ų | 172.3 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 133.6 | 172.7 | -58.2 | -178.6 | 74.5 | -179 | 1.9 | 107.9 | M152 | M152-R154 PolarHBondContact O-N 3.27Š|
| 155 | P | 61.7 | Low | 54.1 | Low | 128 Ų | 128 | 172.2 Ų | 172.2 | 83% | 0.831 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 140.3 | 170 | 31.3 | -29.2 | 0 | 0 | 0 | 110.1 | ||
| 156 | D | 53.8 | Low | 54.3 | Low | 167 Ų | 167 | 177.8 Ų | 177.8 | 89% | 0.893 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129 | 175 | -160.4 | -100.3 | 0 | 0 | 0 | 112.2 | ||
| 157 | R | 48.5 | Very low | 54.3 | Low | 312 Ų | 312 | 177.7 Ų | 177.7 | 100% | 1.177 | 86% | 0.863 | S | S | * | * | trans | -163.8 | 0 | 151.1 | -150.9 | 178.3 | -172.9 | -173.7 | 2.3 | 112 |
Retrieved 157 of 157 residues in 20.4 ms
(Link to these results)