| 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 | 62.8 | Low | 85.2 | Confident | 215 Ų | 215 | 90.5 Ų | 90.5 | 100% | 1.059 | 45% | 0.452 | S | S | * | . | 0 | 115.3 | 0 | -147.8 | 81.8 | 85.9 | 0 | 0 | 107.7 | K3 | M1-K3 PolarHBondContact O-N 3.22Å; M1-K3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | P | 70.2 | Confident | 85.5 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 70% | 0.695 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 117.3 | 177.9 | 24.7 | -30.1 | 0 | 0 | 0 | 108.8 | D16 | P2-D16 WeakPolarHBondContact O-CB 3.48Š|
| 3 | K | 79.1 | Confident | 85.8 | Confident | 151 Ų | 151 | 90.7 Ų | 90.7 | 66% | 0.657 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -99.2 | 122.9 | 173 | -67.8 | -179.8 | 179.8 | 177.7 | 0 | 106.5 | M1 Y5 Y12 | M1-K3 PolarHBondContact O-N 3.22Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-Y5 PolarHBondContact O-N 3.26Å; K3-Y12 HydrophobicContact CB-CD1 4.49Å |
| 4 | F | 85.9 | Confident | 85.6 | Confident | 60 Ų | 60 | 93 Ų | 93 | 26% | 0.263 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 125.9 | 174.9 | 176.3 | -95.5 | 0 | 0 | 0 | 109.5 | C6 L13 D16 R21 | F4-C6 HydrophobicContact CE1-CB 4Å; F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.47Å; F4-L13 HydrophobicContact CD1-CB 4.12Å; F4-L13 HydrophobicContact CD1-CD2 3.94Å; F4-L13 WeakPolarHBondContact O-CB 3.17Å; F4-L13 PolarHBondContact O-N 3.1Å; F4-D16 HydrophobicContact CB-CB 4.21Å; F4-D16 WeakPolarHBondContact CB-OD1 3.39Å; F4-R21 HydrophobicContact CB-CG 4.42Å; F4-R21 HydrophobicContact CD1-CG 4.06Å; F4-R21 VanDerWaalsContact CD2-CD 3.48Å; F4-R21 HydrophobicContact CD2-CG 4.13Å; F4-R21 HydrophobicContact CE1-CG 4.31Å; F4-R21 HydrophobicContact CE2-CG 4.39Å; F4-R21 HydrophobicContact CG-CG 3.95Å; F4-R21 HydrophobicContact CZ-CG 4.47Å |
| 5 | Y | 90.3 | Very high | 85.3 | Confident | 75 Ų | 75 | 95.7 Ų | 95.7 | 29% | 0.294 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 139.1 | 170.9 | -179.2 | -104.7 | 0 | 0 | 0 | 108.7 | K3 D10 T11 Y12 | K3-Y5 PolarHBondContact O-N 3.26Å; Y5-D10 WeakPolarHBondContact OH-CA 3.31Å; Y5-D10 PolarHBondContact OH-OD1 2.97Å; Y5-D10 VanDerWaalsContact OH-OD1 3.05Å; Y5-T11 WeakPolarHBondContact CD2-O 3.36Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD2 4.01Å; Y5-Y12 AromaticContact CD2-CE1 3.62Å; Y5-Y12 HydrophobicContact CD2-CE1 3.62Å; Y5-Y12 AromaticContact CD2-CE2 3.88Å; Y5-Y12 HydrophobicContact CD2-CE2 3.88Å; Y5-Y12 AromaticContact CD2-CG 3.94Å; Y5-Y12 HydrophobicContact CD2-CG 3.94Å; Y5-Y12 AromaticContact CD2-CZ 3.69Å; Y5-Y12 HydrophobicContact CE2-CD2 4.31Å; Y5-Y12 HydrophobicContact CE2-CE1 4.48Å; Y5-Y12 HydrophobicContact CE2-CE2 4.01Å; Y5-Y12 HydrophobicContact CG-CD1 4.33Å; Y5-Y12 HydrophobicContact CG-CE1 4.08Å |
| 6 | C | 92.4 | Very high | 85.2 | Confident | 5 Ų | 5 | 93.1 Ų | 93.1 | 3% | 0.034 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 111.6 | 174.7 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | F4 Y8 C9 D10 T11 H24 H30 | F4-C6 HydrophobicContact CE1-CB 4Å; C6-Y8 VanDerWaalsContact C-N 3.29Å; C6-Y8 PolarHBondContact O-N 3.41Å; C6-C9 HydrophobicContact CB-CB 4.08Å; C6-C9 PolarHBondContact O-N 3.47Å; C6-D10 PolarHBondContact O-N 3.01Å; C6-T11 PolarHBondContact N-O 2.97Å; C6-T11 VanDerWaalsContact N-O 3.14Å; C6-H24 VanDerWaalsContact CB-NE2 3.26Å; C6-H24 WeakPolarHBondContact CB-NE2 3.46Å; C6-H24 PolarHBondContact SG-NE2 2.87Å; C6-H30 PolarHBondContact SG-CE1 2.85Å; C6-H30 PolarHBondContact SG-ND1 3.13Å |
| 7 | D | 92.2 | Very high | 85.2 | Confident | 120 Ų | 120 | 90.2 Ų | 90.2 | 64% | 0.642 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33.8 | -178.6 | -54.2 | -82.4 | 0 | 0 | 0 | 113 | C9 | D7-C9 VanDerWaalsContact C-N 3.26Å; D7-C9 PolarHBondContact O-N 3.27Å |
| 8 | Y | 90.9 | Very high | 85.2 | Confident | 85 Ų | 85 | 90.1 Ų | 90.1 | 33% | 0.333 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21 | 177 | -55.8 | -66 | 0 | 0 | 0 | 113.7 | C6 H30 N33 V34 Y37 | C6-Y8 VanDerWaalsContact C-N 3.29Å; C6-Y8 PolarHBondContact O-N 3.41Å; Y8-H30 AromaticContact CD2-CE1 3.68Å; Y8-N33 WeakPolarHBondContact O-CB 3.46Å; Y8-N33 PolarHBondContact O-ND2 3.03Å; Y8-V34 HydrophobicContact CD1-CG2 3.97Å; Y8-V34 HydrophobicContact CD2-CG2 3.63Å; Y8-V34 HydrophobicContact CE1-CG2 4.43Å; Y8-V34 HydrophobicContact CE2-CG2 4.11Å; Y8-V34 HydrophobicContact CG-CG2 3.53Å; Y8-Y37 HydrophobicContact CD1-CD1 4.34Å; Y8-Y37 HydrophobicContact CD1-CG 4.18Å; Y8-Y37 AromaticContact CE1-CD1 3.92Å; Y8-Y37 HydrophobicContact CE1-CD1 3.92Å; Y8-Y37 HydrophobicContact CE1-CE1 4.21Å; Y8-Y37 HydrophobicContact CE1-CG 4.22Å |
| 9 | C | 92.2 | Very high | 85.3 | Confident | 9 Ų | 9 | 89.6 Ų | 89.6 | 6% | 0.061 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -10.1 | -174.4 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | C6 D7 T11 H24 | C6-C9 HydrophobicContact CB-CB 4.08Å; C6-C9 PolarHBondContact O-N 3.47Å; D7-C9 VanDerWaalsContact C-N 3.26Å; D7-C9 PolarHBondContact O-N 3.27Å; C9-T11 HydrophobicContact CB-CG2 4.16Å; C9-T11 WeakPolarHBondContact O-CG2 3.16Å; C9-T11 PolarHBondContact O-N 2.88Å; C9-T11 VanDerWaalsContact O-N 3.14Å; C9-H24 PolarHBondContact SG-NE2 3.41Å |
| 10 | D | 91.3 | Very high | 85.5 | Confident | 120 Ų | 120 | 87.5 Ų | 87.5 | 64% | 0.642 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 32.9 | -167.9 | -65.4 | -39.4 | 0 | 0 | 0 | 113.8 | Y5 C6 | Y5-D10 WeakPolarHBondContact OH-CA 3.31Å; Y5-D10 PolarHBondContact OH-OD1 2.97Å; Y5-D10 VanDerWaalsContact OH-OD1 3.05Å; C6-D10 PolarHBondContact O-N 3.01Å |
| 11 | T | 89.7 | Confident | 85.7 | Confident | 48 Ų | 48 | 87.3 Ų | 87.3 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.9 | -175.7 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | Y5 C6 C9 | Y5-T11 WeakPolarHBondContact CD2-O 3.36Å; C6-T11 PolarHBondContact N-O 2.97Å; C6-T11 VanDerWaalsContact N-O 3.14Å; C9-T11 HydrophobicContact CB-CG2 4.16Å; C9-T11 WeakPolarHBondContact O-CG2 3.16Å; C9-T11 PolarHBondContact O-N 2.88Å; C9-T11 VanDerWaalsContact O-N 3.14Å |
| 12 | Y | 89.5 | Confident | 87.1 | Confident | 162 Ų | 162 | 84.7 Ų | 84.7 | 64% | 0.635 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 133.2 | 165.9 | -67.5 | -82.3 | 0 | 0 | 0 | 111.1 | K3 Y5 | K3-Y12 HydrophobicContact CB-CD1 4.49Å; Y5-Y12 AromaticContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD1 3.75Å; Y5-Y12 HydrophobicContact CD2-CD2 4.01Å; Y5-Y12 AromaticContact CD2-CE1 3.62Å; Y5-Y12 HydrophobicContact CD2-CE1 3.62Å; Y5-Y12 AromaticContact CD2-CE2 3.88Å; Y5-Y12 HydrophobicContact CD2-CE2 3.88Å; Y5-Y12 AromaticContact CD2-CG 3.94Å; Y5-Y12 HydrophobicContact CD2-CG 3.94Å; Y5-Y12 AromaticContact CD2-CZ 3.69Å; Y5-Y12 HydrophobicContact CE2-CD2 4.31Å; Y5-Y12 HydrophobicContact CE2-CE1 4.48Å; Y5-Y12 HydrophobicContact CE2-CE2 4.01Å; Y5-Y12 HydrophobicContact CG-CD1 4.33Å; Y5-Y12 HydrophobicContact CG-CE1 4.08Å |
| 13 | L | 88.4 | Confident | 88.1 | Confident | 22 Ų | 22 | 84 Ų | 84 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | trans | -84.2 | 124.3 | 172.8 | -157 | 60.1 | 0 | 0 | 0 | 109.4 | F4 H15 V20 R21 H24 | F4-L13 HydrophobicContact CB-CB 4.21Å; F4-L13 HydrophobicContact CB-CD2 4.47Å; F4-L13 HydrophobicContact CD1-CB 4.12Å; F4-L13 HydrophobicContact CD1-CD2 3.94Å; F4-L13 WeakPolarHBondContact O-CB 3.17Å; F4-L13 PolarHBondContact O-N 3.1Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.32Å; L13-V20 HydrophobicContact CD1-CG1 3.78Å; L13-V20 HydrophobicContact CD2-CB 4.14Å; L13-V20 HydrophobicContact CD2-CG1 3.54Å; L13-V20 HydrophobicContact CG-CG1 3.71Å; L13-R21 HydrophobicContact CD2-CG 4.01Å; L13-H24 HydrophobicContact CD1-CB 4.42Å | ||
| 14 | T | 82.8 | Confident | 88.8 | Confident | 123 Ų | 123 | 78.5 Ų | 78.5 | 76% | 0.755 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -67.6 | -28.1 | -175.7 | 49.9 | 0 | 0 | 0 | 0 | 113 | ||
| 15 | H | 82.4 | Confident | 89 | Confident | 134 Ų | 134 | 78.1 Ų | 78.1 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -131.5 | 112.9 | 175.9 | -63.8 | -71.2 | 0 | 0 | 0 | 110.7 | L13 S17 V20 | L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.32Å; H15-S17 VanDerWaalsContact C-N 3.29Å; H15-S17 PolarHBondContact O-N 3.36Å; H15-V20 HydrophobicContact CB-CG2 4.5Å; H15-V20 WeakPolarHBondContact O-CB 3.39Å; H15-V20 WeakPolarHBondContact O-CG1 3.24Å |
| 16 | D | 82.3 | Confident | 89.2 | Confident | 53 Ų | 53 | 77.5 Ų | 77.5 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | trans | -85.7 | 69.2 | 179.2 | -168.9 | 27.7 | 0 | 0 | 0 | 112.1 | P2 F4 R21 | P2-D16 WeakPolarHBondContact O-CB 3.48Å; F4-D16 HydrophobicContact CB-CB 4.21Å; F4-D16 WeakPolarHBondContact CB-OD1 3.39Å; D16-R21 VanDerWaalsContact OD1-CD 3.23Å; D16-R21 WeakPolarHBondContact OD1-CD 3.5Å; D16-R21 WeakPolarHBondContact OD1-CG 3.49Å; D16-R21 IonicContact OD1-CZ 3.32Å; D16-R21 IonicContact OD1-NE 3.56Å; D16-R21 IonicContact OD1-NH1 2.61Å; D16-R21 PolarHBondContact OD1-NH1 3.35Å; D16-R21 IonicContact OD2-NH1 2.85Å; D16-R21 PolarHBondContact OD2-NH1 3.18Å | ||
| 17 | S | 86.1 | Confident | 89.2 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 32% | 0.315 | 42% | 0.424 | S | S | . | . | trans | -103.2 | 144.4 | 171.4 | 165.1 | 0 | 0 | 0 | 0 | 110 | H15 S19 V20 R21 | H15-S17 VanDerWaalsContact C-N 3.29Å; H15-S17 PolarHBondContact O-N 3.36Å; S17-S19 PolarHBondContact O-N 2.8Å; S17-S19 VanDerWaalsContact O-N 3.14Å; S17-S19 PolarHBondContact OG-N 3.24Å; S17-V20 PolarHBondContact O-N 2.85Å; S17-R21 PolarHBondContact O-N 3.49Å | ||
| 18 | P | 85.3 | Confident | 89.3 | Confident | 88 Ų | 88 | 81.9 Ų | 81.9 | 57% | 0.571 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -54.2 | -34 | 177.1 | 20.2 | -32.1 | 0 | 0 | 0 | 112.9 | K22 | P18-K22 WeakPolarHBondContact O-CB 3.49Å; P18-K22 PolarHBondContact O-N 3.47Å |
| 19 | S | 86.3 | Confident | 89.4 | Confident | 81 Ų | 81 | 83.9 Ų | 83.9 | 57% | 0.566 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66 | -43.5 | 174.1 | -56 | 0 | 0 | 0 | 0 | 111.8 | S17 K22 T23 | S17-S19 PolarHBondContact O-N 2.8Å; S17-S19 VanDerWaalsContact O-N 3.14Å; S17-S19 PolarHBondContact OG-N 3.24Å; S19-K22 PolarHBondContact O-N 2.8Å; S19-T23 WeakPolarHBondContact O-CG2 3.23Å; S19-T23 PolarHBondContact O-N 3.05Å; S19-T23 PolarHBondContact O-OG1 3.18Å |
| 20 | V | 89.8 | Confident | 89.6 | Confident | 47 Ų | 47 | 84.6 Ų | 84.6 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.8 | -39.5 | -178.9 | -173.8 | 0 | 0 | 0 | 0 | 111 | L13 H15 S17 T23 H24 | L13-V20 HydrophobicContact CD1-CG1 3.78Å; L13-V20 HydrophobicContact CD2-CB 4.14Å; L13-V20 HydrophobicContact CD2-CG1 3.54Å; L13-V20 HydrophobicContact CG-CG1 3.71Å; H15-V20 HydrophobicContact CB-CG2 4.5Å; H15-V20 WeakPolarHBondContact O-CB 3.39Å; H15-V20 WeakPolarHBondContact O-CG1 3.24Å; S17-V20 PolarHBondContact O-N 2.85Å; V20-T23 WeakPolarHBondContact CA-OG1 3.41Å; V20-T23 PolarHBondContact O-N 2.86Å; V20-T23 PolarHBondContact O-OG1 3.1Å; V20-H24 WeakPolarHBondContact O-CB 3.35Å; V20-H24 PolarHBondContact O-N 3.02Å |
| 21 | R | 90.2 | Very high | 89.7 | Confident | 83 Ų | 83 | 84.1 Ų | 84.1 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 171.7 | -72 | -170.9 | -65.5 | -120.3 | 0 | 111.4 | F4 L13 D16 S17 T23 H24 C25 | F4-R21 HydrophobicContact CB-CG 4.42Å; F4-R21 HydrophobicContact CD1-CG 4.06Å; F4-R21 VanDerWaalsContact CD2-CD 3.48Å; F4-R21 HydrophobicContact CD2-CG 4.13Å; F4-R21 HydrophobicContact CE1-CG 4.31Å; F4-R21 HydrophobicContact CE2-CG 4.39Å; F4-R21 HydrophobicContact CG-CG 3.95Å; F4-R21 HydrophobicContact CZ-CG 4.47Å; L13-R21 HydrophobicContact CD2-CG 4.01Å; D16-R21 VanDerWaalsContact OD1-CD 3.23Å; D16-R21 WeakPolarHBondContact OD1-CD 3.5Å; D16-R21 WeakPolarHBondContact OD1-CG 3.49Å; D16-R21 IonicContact OD1-CZ 3.32Å; D16-R21 IonicContact OD1-NE 3.56Å; D16-R21 IonicContact OD1-NH1 2.61Å; D16-R21 PolarHBondContact OD1-NH1 3.35Å; D16-R21 IonicContact OD2-NH1 2.85Å; D16-R21 PolarHBondContact OD2-NH1 3.18Å; S17-R21 PolarHBondContact O-N 3.49Å; R21-T23 VanDerWaalsContact C-N 3.35Å; R21-T23 PolarHBondContact O-N 2.78Å; R21-H24 PolarHBondContact O-N 2.91Å; R21-C25 PolarHBondContact O-N 2.83Å; R21-C25 PolarHBondContact O-SG 3.43Å |
| 22 | K | 90.8 | Very high | 89.9 | Confident | 161 Ų | 161 | 86.4 Ų | 86.4 | 70% | 0.7 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 176.8 | -176.9 | 177.7 | -79.9 | -173 | 0 | 111.7 | P18 S19 S26 | P18-K22 WeakPolarHBondContact O-CB 3.49Å; P18-K22 PolarHBondContact O-N 3.47Å; S19-K22 PolarHBondContact O-N 2.8Å; K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 3.47Å; K22-S26 PolarHBondContact O-N 3.02Å; K22-S26 PolarHBondContact O-OG 3.26Å |
| 23 | T | 92.6 | Very high | 90.1 | Very high | 91 Ų | 91 | 81 Ų | 81 | 56% | 0.558 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70 | -32.7 | 176.6 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | S19 V20 R21 S26 G27 | S19-T23 WeakPolarHBondContact O-CG2 3.23Å; S19-T23 PolarHBondContact O-N 3.05Å; S19-T23 PolarHBondContact O-OG1 3.18Å; V20-T23 WeakPolarHBondContact CA-OG1 3.41Å; V20-T23 PolarHBondContact O-N 2.86Å; V20-T23 PolarHBondContact O-OG1 3.1Å; R21-T23 VanDerWaalsContact C-N 3.35Å; R21-T23 PolarHBondContact O-N 2.78Å; T23-S26 WeakPolarHBondContact CA-OG 3.46Å; T23-S26 PolarHBondContact O-OG 2.83Å; T23-G27 PolarHBondContact O-N 2.76Å; T23-G27 VanDerWaalsContact O-N 3.1Å |
| 24 | H | 93.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 81.5 Ų | 81.5 | 17% | 0.167 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.1 | -54.2 | 174.8 | 179.4 | 85.7 | 0 | 0 | 0 | 111.3 | C6 C9 L13 V20 R21 S26 G27 H30 | C6-H24 VanDerWaalsContact CB-NE2 3.26Å; C6-H24 WeakPolarHBondContact CB-NE2 3.46Å; C6-H24 PolarHBondContact SG-NE2 2.87Å; C9-H24 PolarHBondContact SG-NE2 3.41Å; L13-H24 HydrophobicContact CD1-CB 4.42Å; V20-H24 WeakPolarHBondContact O-CB 3.35Å; V20-H24 PolarHBondContact O-N 3.02Å; R21-H24 PolarHBondContact O-N 2.91Å; H24-S26 VanDerWaalsContact C-N 3.31Å; H24-S26 PolarHBondContact O-N 3.1Å; H24-G27 PolarHBondContact O-N 3.17Å; H24-H30 AromaticContact CD2-ND1 3.76Å; H24-H30 AromaticContact NE2-ND1 3.55Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.42Å |
| 25 | C | 90.8 | Very high | 90.8 | Very high | 53 Ų | 53 | 82.7 Ų | 82.7 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.9 | -31.5 | -177.9 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | R21 G27 H30 | R21-C25 PolarHBondContact O-N 2.83Å; R21-C25 PolarHBondContact O-SG 3.43Å; C25-G27 VanDerWaalsContact C-N 3.28Å; C25-H30 PolarHBondContact O-CD2 3.36Å; C25-H30 VanDerWaalsContact O-CD2 3.26Å |
| 26 | S | 93.2 | Very high | 91.3 | Very high | 62 Ų | 62 | 79.9 Ų | 79.9 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -80.5 | -10.5 | 174.6 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | K22 T23 H24 K31 | K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 3.47Å; K22-S26 PolarHBondContact O-N 3.02Å; K22-S26 PolarHBondContact O-OG 3.26Å; T23-S26 WeakPolarHBondContact CA-OG 3.46Å; T23-S26 PolarHBondContact O-OG 2.83Å; H24-S26 VanDerWaalsContact C-N 3.31Å; H24-S26 PolarHBondContact O-N 3.1Å; S26-K31 VanDerWaalsContact O-CE 3.22Å; S26-K31 WeakPolarHBondContact O-CE 3.18Å; S26-K31 PolarHBondContact O-NZ 3.03Å |
| 27 | G | 93.7 | Very high | 91.7 | Very high | 24 Ų | 24 | 83.4 Ų | 83.4 | 25% | 0.247 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -65 | 150.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T23 H24 C25 K29 H30 K31 | T23-G27 PolarHBondContact O-N 2.76Å; T23-G27 VanDerWaalsContact O-N 3.1Å; H24-G27 PolarHBondContact O-N 3.17Å; C25-G27 VanDerWaalsContact C-N 3.28Å; G27-K29 PolarHBondContact O-N 3.23Å; G27-H30 PolarHBondContact O-N 3.26Å; G27-K31 WeakPolarHBondContact O-CG 3.39Å; G27-K31 PolarHBondContact O-N 3.09Å |
| 28 | R | 93.5 | Very high | 91.9 | Very high | 192 Ų | 192 | 86.9 Ų | 86.9 | 73% | 0.725 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.9 | -48.5 | -176.9 | -163.1 | -172.3 | -51.2 | 117.7 | 5.4 | 112.3 | H30 K31 E32 | R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 3.46Å; R28-K31 PolarHBondContact O-N 3.49Å; R28-K31 VanDerWaalsContact O-N 3.16Å; R28-E32 WeakPolarHBondContact CD-OE1 3.4Å; R28-E32 HydrophobicContact CG-CG 4.46Å; R28-E32 VanDerWaalsContact CG-OE1 3.29Å; R28-E32 WeakPolarHBondContact CG-OE1 3.43Å; R28-E32 WeakPolarHBondContact O-CG 3.5Å; R28-E32 PolarHBondContact O-N 3.4Å |
| 29 | K | 93.6 | Very high | 92 | Very high | 127 Ų | 127 | 88.1 Ų | 88.1 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -55.8 | -44.9 | 179.2 | -175.6 | -179.8 | 177.9 | -174.6 | 0 | 112.4 | G27 E32 N33 | G27-K29 PolarHBondContact O-N 3.23Å; K29-E32 PolarHBondContact O-N 3.2Å; K29-N33 WeakPolarHBondContact O-CB 3.21Å; K29-N33 VanDerWaalsContact O-CG 3.26Å; K29-N33 PolarHBondContact O-N 3.25Å; K29-N33 PolarHBondContact O-OD1 3.47Å |
| 30 | H | 95.4 | Very high | 92 | Very high | 25 Ų | 25 | 90.7 Ų | 90.7 | 12% | 0.116 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 178.5 | -178.5 | 91.4 | 0 | 0 | 0 | 111.3 | C6 Y8 H24 C25 G27 R28 E32 N33 V34 | C6-H30 PolarHBondContact SG-CE1 2.85Å; C6-H30 PolarHBondContact SG-ND1 3.13Å; Y8-H30 AromaticContact CD2-CE1 3.68Å; H24-H30 AromaticContact CD2-ND1 3.76Å; H24-H30 AromaticContact NE2-ND1 3.55Å; H24-H30 VanDerWaalsContact O-CB 3.29Å; H24-H30 WeakPolarHBondContact O-CB 3.42Å; C25-H30 PolarHBondContact O-CD2 3.36Å; C25-H30 VanDerWaalsContact O-CD2 3.26Å; G27-H30 PolarHBondContact O-N 3.26Å; R28-H30 VanDerWaalsContact C-N 3.32Å; R28-H30 PolarHBondContact O-N 3.46Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 2.9Å; H30-N33 PolarHBondContact O-N 3.5Å; H30-V34 WeakPolarHBondContact O-CB 3.32Å; H30-V34 WeakPolarHBondContact O-CG2 3.41Å; H30-V34 PolarHBondContact O-N 3.04Å |
| 31 | K | 94.6 | Very high | 91.9 | Very high | 110 Ų | 110 | 94.1 Ų | 94.1 | 48% | 0.478 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 178.9 | -70.1 | 174.8 | 176.8 | 164.6 | 0 | 113.2 | S26 G27 R28 K35 | S26-K31 VanDerWaalsContact O-CE 3.22Å; S26-K31 WeakPolarHBondContact O-CE 3.18Å; S26-K31 PolarHBondContact O-NZ 3.03Å; G27-K31 WeakPolarHBondContact O-CG 3.39Å; G27-K31 PolarHBondContact O-N 3.09Å; R28-K31 PolarHBondContact O-N 3.49Å; R28-K31 VanDerWaalsContact O-N 3.16Å; K31-K35 WeakPolarHBondContact O-CG 3.38Å; K31-K35 PolarHBondContact O-N 2.89Å |
| 32 | E | 93.3 | Very high | 91.5 | Very high | 95 Ų | 95 | 95.8 Ų | 95.8 | 44% | 0.444 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.1 | -50 | 176 | -74.1 | 167.3 | 176.2 | 0 | 0 | 110.6 | R28 K29 H30 V34 K35 D36 | R28-E32 WeakPolarHBondContact CD-OE1 3.4Å; R28-E32 HydrophobicContact CG-CG 4.46Å; R28-E32 VanDerWaalsContact CG-OE1 3.29Å; R28-E32 WeakPolarHBondContact CG-OE1 3.43Å; R28-E32 WeakPolarHBondContact O-CG 3.5Å; R28-E32 PolarHBondContact O-N 3.4Å; K29-E32 PolarHBondContact O-N 3.2Å; H30-E32 VanDerWaalsContact C-N 3.34Å; H30-E32 PolarHBondContact O-N 2.9Å; E32-V34 VanDerWaalsContact C-N 3.28Å; E32-V34 PolarHBondContact O-N 3.37Å; E32-K35 WeakPolarHBondContact O-CB 3.08Å; E32-K35 PolarHBondContact O-N 3.24Å; E32-D36 PolarHBondContact O-N 3.42Å |
| 33 | N | 93.6 | Very high | 90.9 | Very high | 48 Ų | 48 | 93.7 Ų | 93.7 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 177.7 | -73.9 | 15.3 | 0 | 0 | 0 | 113.2 | Y8 K29 H30 K35 D36 Y37 | Y8-N33 WeakPolarHBondContact O-CB 3.46Å; Y8-N33 PolarHBondContact O-ND2 3.03Å; K29-N33 WeakPolarHBondContact O-CB 3.21Å; K29-N33 VanDerWaalsContact O-CG 3.26Å; K29-N33 PolarHBondContact O-N 3.25Å; K29-N33 PolarHBondContact O-OD1 3.47Å; H30-N33 PolarHBondContact O-N 3.5Å; N33-K35 VanDerWaalsContact C-N 3.35Å; N33-D36 PolarHBondContact O-N 3.01Å; N33-Y37 WeakPolarHBondContact O-CB 3.16Å; N33-Y37 PolarHBondContact O-N 3.07Å |
| 34 | V | 93.8 | Very high | 90 | Very high | 33 Ų | 33 | 96.1 Ų | 96.1 | 20% | 0.2 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | Y8 H30 E32 Y38 | Y8-V34 HydrophobicContact CD1-CG2 3.97Å; Y8-V34 HydrophobicContact CD2-CG2 3.63Å; Y8-V34 HydrophobicContact CE1-CG2 4.43Å; Y8-V34 HydrophobicContact CE2-CG2 4.11Å; Y8-V34 HydrophobicContact CG-CG2 3.53Å; H30-V34 WeakPolarHBondContact O-CB 3.32Å; H30-V34 WeakPolarHBondContact O-CG2 3.41Å; H30-V34 PolarHBondContact O-N 3.04Å; E32-V34 VanDerWaalsContact C-N 3.28Å; E32-V34 PolarHBondContact O-N 3.37Å; V34-Y38 HydrophobicContact CG1-CD2 4.07Å; V34-Y38 HydrophobicContact CG1-CE2 3.88Å; V34-Y38 WeakPolarHBondContact O-CD2 3.26Å; V34-Y38 PolarHBondContact O-N 3.09Å |
| 35 | K | 93 | Very high | 89.1 | Confident | 148 Ų | 148 | 99.2 Ų | 99.2 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.1 | -48.8 | 175.9 | -72.5 | 174 | -179.3 | -174.5 | 0 | 111.3 | K31 E32 N33 Y37 Y38 Q39 | K31-K35 WeakPolarHBondContact O-CG 3.38Å; K31-K35 PolarHBondContact O-N 2.89Å; E32-K35 WeakPolarHBondContact O-CB 3.08Å; E32-K35 PolarHBondContact O-N 3.24Å; N33-K35 VanDerWaalsContact C-N 3.35Å; K35-Y37 VanDerWaalsContact C-N 3.25Å; K35-Y37 PolarHBondContact O-N 3.13Å; K35-Y38 PolarHBondContact O-N 2.86Å; K35-Q39 WeakPolarHBondContact O-CB 3.18Å; K35-Q39 PolarHBondContact O-N 3.14Å |
| 36 | D | 91.4 | Very high | 88.2 | Confident | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 179.6 | -70.5 | -2 | 0 | 0 | 0 | 111.7 | E32 N33 Q39 K40 | E32-D36 PolarHBondContact O-N 3.42Å; N33-D36 PolarHBondContact O-N 3.01Å; D36-Q39 PolarHBondContact O-N 3.05Å; D36-K40 WeakPolarHBondContact O-CB 3.18Å; D36-K40 VanDerWaalsContact O-CG 3.32Å; D36-K40 WeakPolarHBondContact O-CG 3.4Å; D36-K40 PolarHBondContact O-N 3.35Å |
| 37 | Y | 91.6 | Very high | 87.4 | Confident | 127 Ų | 127 | 100.5 Ų | 100.5 | 50% | 0.498 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.2 | -51.4 | 175.4 | 175.7 | -95.5 | 0 | 0 | 0 | 111.4 | Y8 N33 K35 Q39 W41 | Y8-Y37 HydrophobicContact CD1-CD1 4.34Å; Y8-Y37 HydrophobicContact CD1-CG 4.18Å; Y8-Y37 AromaticContact CE1-CD1 3.92Å; Y8-Y37 HydrophobicContact CE1-CD1 3.92Å; Y8-Y37 HydrophobicContact CE1-CE1 4.21Å; Y8-Y37 HydrophobicContact CE1-CG 4.22Å; N33-Y37 WeakPolarHBondContact O-CB 3.16Å; N33-Y37 PolarHBondContact O-N 3.07Å; K35-Y37 VanDerWaalsContact C-N 3.25Å; K35-Y37 PolarHBondContact O-N 3.13Å; Y37-Q39 VanDerWaalsContact C-N 3.33Å; Y37-Q39 PolarHBondContact O-N 3Å; Y37-W41 WeakPolarHBondContact O-CB 3.43Å; Y37-W41 PolarHBondContact O-N 3.48Å |
| 38 | Y | 90.1 | Very high | 86.6 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.4 | -30.8 | 178.7 | -73.4 | -64.6 | 0 | 0 | 0 | 112.8 | V34 K35 W41 M42 | V34-Y38 HydrophobicContact CG1-CD2 4.07Å; V34-Y38 HydrophobicContact CG1-CE2 3.88Å; V34-Y38 WeakPolarHBondContact O-CD2 3.26Å; V34-Y38 PolarHBondContact O-N 3.09Å; K35-Y38 PolarHBondContact O-N 2.86Å; Y38-W41 PolarHBondContact O-N 3.38Å; Y38-M42 WeakPolarHBondContact O-CG 3.43Å; Y38-M42 PolarHBondContact O-N 3.22Å; Y38-M42 VanDerWaalsContact O-N 3.09Å |
| 39 | Q | 87.6 | Confident | 85.6 | Confident | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.1 | -48.7 | 176.5 | -174.9 | 161.3 | 13.8 | 0 | 0 | 111.8 | K35 D36 Y37 W41 M42 E43 | K35-Q39 WeakPolarHBondContact O-CB 3.18Å; K35-Q39 PolarHBondContact O-N 3.14Å; D36-Q39 PolarHBondContact O-N 3.05Å; Y37-Q39 VanDerWaalsContact C-N 3.33Å; Y37-Q39 PolarHBondContact O-N 3Å; Q39-W41 VanDerWaalsContact C-N 3.26Å; Q39-W41 PolarHBondContact O-N 2.89Å; Q39-M42 PolarHBondContact O-N 3.27Å; Q39-M42 VanDerWaalsContact O-N 3.13Å; Q39-E43 PolarHBondContact O-N 3.25Å |
| 40 | K | 86.3 | Confident | 84.8 | Confident | 135 Ų | 135 | 96 Ų | 96 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.1 | -37.5 | 174.5 | -71.8 | 173.2 | -175.7 | 173.3 | 0 | 111.9 | D36 M42 E43 E44 | D36-K40 WeakPolarHBondContact O-CB 3.18Å; D36-K40 VanDerWaalsContact O-CG 3.32Å; D36-K40 WeakPolarHBondContact O-CG 3.4Å; D36-K40 PolarHBondContact O-N 3.35Å; K40-M42 VanDerWaalsContact C-N 3.3Å; K40-M42 PolarHBondContact O-N 2.88Å; K40-E43 PolarHBondContact O-N 3.34Å; K40-E44 WeakPolarHBondContact O-CB 3.38Å; K40-E44 PolarHBondContact O-N 2.91Å |
| 41 | W | 87.3 | Confident | 84.1 | Confident | 118 Ų | 118 | 99 Ų | 99 | 45% | 0.447 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.5 | -178 | 67.4 | 0 | 0 | 0 | 112.4 | Y37 Y38 Q39 Q45 | Y37-W41 WeakPolarHBondContact O-CB 3.43Å; Y37-W41 PolarHBondContact O-N 3.48Å; Y38-W41 PolarHBondContact O-N 3.38Å; Q39-W41 VanDerWaalsContact C-N 3.26Å; Q39-W41 PolarHBondContact O-N 2.89Å; W41-Q45 WeakPolarHBondContact O-CG 3.41Å; W41-Q45 PolarHBondContact O-N 2.84Å; W41-Q45 VanDerWaalsContact O-N 3.09Å |
| 42 | M | 81.4 | Confident | 83.1 | Confident | 118 Ų | 118 | 100.2 Ų | 100.2 | 58% | 0.581 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | 174.3 | -69 | -60.9 | -153.8 | 0 | 0 | 112.6 | Y38 Q39 K40 Q45 A46 | Y38-M42 WeakPolarHBondContact O-CG 3.43Å; Y38-M42 PolarHBondContact O-N 3.22Å; Y38-M42 VanDerWaalsContact O-N 3.09Å; Q39-M42 PolarHBondContact O-N 3.27Å; Q39-M42 VanDerWaalsContact O-N 3.13Å; K40-M42 VanDerWaalsContact C-N 3.3Å; K40-M42 PolarHBondContact O-N 2.88Å; M42-Q45 PolarHBondContact O-N 3.15Å; M42-A46 PolarHBondContact O-N 3.14Å |
| 43 | E | 78.2 | Confident | 82 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 175 | -71.3 | 174.1 | -176.5 | 0 | 0 | 111.8 | Q39 K40 Q45 A46 Q47 | Q39-E43 PolarHBondContact O-N 3.25Å; K40-E43 PolarHBondContact O-N 3.34Å; E43-Q45 PolarHBondContact O-N 3.45Å; E43-A46 PolarHBondContact O-N 3.27Å; E43-Q47 WeakPolarHBondContact O-CB 3.43Å; E43-Q47 PolarHBondContact O-N 3.24Å |
| 44 | E | 73.9 | Confident | 80.9 | Confident | 143 Ų | 143 | 100.3 Ų | 100.3 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 177.2 | -168 | 179.9 | 155.4 | 0 | 0 | 111.9 | K40 Q47 S48 | K40-E44 WeakPolarHBondContact O-CB 3.38Å; K40-E44 PolarHBondContact O-N 2.91Å; E44-Q47 PolarHBondContact O-N 3.08Å; E44-S48 WeakPolarHBondContact O-CB 3.43Å; E44-S48 PolarHBondContact O-N 3.05Å |
| 45 | Q | 74.1 | Confident | 79.6 | Confident | 100 Ų | 100 | 100.9 Ų | 100.9 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 173.3 | -73.1 | -139.1 | 93.4 | 0 | 0 | 112.5 | W41 M42 E43 S48 L49 | W41-Q45 WeakPolarHBondContact O-CG 3.41Å; W41-Q45 PolarHBondContact O-N 2.84Å; W41-Q45 VanDerWaalsContact O-N 3.09Å; M42-Q45 PolarHBondContact O-N 3.15Å; E43-Q45 PolarHBondContact O-N 3.45Å; Q45-S48 PolarHBondContact O-N 2.81Å; Q45-L49 PolarHBondContact O-N 3.49Å |
| 46 | A | 72.7 | Confident | 78.1 | Confident | 48 Ų | 48 | 95.7 Ų | 95.7 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M42 E43 S48 L49 I50 | M42-A46 PolarHBondContact O-N 3.14Å; E43-A46 PolarHBondContact O-N 3.27Å; A46-S48 PolarHBondContact O-N 3.32Å; A46-L49 WeakPolarHBondContact O-CB 3.23Å; A46-L49 PolarHBondContact O-N 2.9Å; A46-I50 WeakPolarHBondContact O-CG1 3.2Å; A46-I50 PolarHBondContact O-N 2.88Å |
| 47 | Q | 76.8 | Confident | 76.7 | Confident | 95 Ų | 95 | 98 Ų | 98 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 177.7 | -167.3 | 60.7 | 51.8 | 0 | 0 | 111.6 | E43 E44 L49 I50 D51 | E43-Q47 WeakPolarHBondContact O-CB 3.43Å; E43-Q47 PolarHBondContact O-N 3.24Å; E44-Q47 PolarHBondContact O-N 3.08Å; Q47-L49 PolarHBondContact O-N 2.91Å; Q47-I50 PolarHBondContact O-N 3.18Å; Q47-I50 VanDerWaalsContact O-N 3.1Å; Q47-D51 PolarHBondContact NE2-OD1 2.85Å; Q47-D51 WeakPolarHBondContact O-CB 3.33Å; Q47-D51 PolarHBondContact O-N 3.27Å |
| 48 | S | 75.6 | Confident | 75.3 | Confident | 49 Ų | 49 | 99.4 Ų | 99.4 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.1 | -36.9 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | E44 Q45 A46 K52 | E44-S48 WeakPolarHBondContact O-CB 3.43Å; E44-S48 PolarHBondContact O-N 3.05Å; Q45-S48 PolarHBondContact O-N 2.81Å; A46-S48 PolarHBondContact O-N 3.32Å; S48-K52 WeakPolarHBondContact O-CD 3.32Å; S48-K52 VanDerWaalsContact O-CG 3.23Å; S48-K52 WeakPolarHBondContact O-CG 3.5Å; S48-K52 PolarHBondContact O-N 2.61Å; S48-K52 PolarHBondContact OG-NZ 3.31Å |
| 49 | L | 74.1 | Confident | 73.9 | Confident | 114 Ų | 114 | 100.3 Ų | 100.3 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71 | -39.7 | 175.7 | -72.7 | 166.1 | 0 | 0 | 0 | 112.2 | Q45 A46 Q47 T53 | Q45-L49 PolarHBondContact O-N 3.49Å; A46-L49 WeakPolarHBondContact O-CB 3.23Å; A46-L49 PolarHBondContact O-N 2.9Å; Q47-L49 PolarHBondContact O-N 2.91Å; L49-T53 WeakPolarHBondContact O-CB 3.49Å; L49-T53 PolarHBondContact O-N 3.27Å; L49-T53 PolarHBondContact O-OG1 3.49Å |
| 50 | I | 76.9 | Confident | 72.4 | Confident | 85 Ų | 85 | 97.9 Ų | 97.9 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.1 | -67.4 | 163.3 | 0 | 0 | 0 | 110.4 | A46 Q47 K52 T53 T54 | A46-I50 WeakPolarHBondContact O-CG1 3.2Å; A46-I50 PolarHBondContact O-N 2.88Å; Q47-I50 PolarHBondContact O-N 3.18Å; Q47-I50 VanDerWaalsContact O-N 3.1Å; I50-K52 PolarHBondContact O-N 3.05Å; I50-T53 PolarHBondContact O-N 3.39Å; I50-T54 VanDerWaalsContact O-CB 3.24Å; I50-T54 WeakPolarHBondContact O-CB 3.14Å; I50-T54 PolarHBondContact O-N 3.26Å; I50-T54 PolarHBondContact O-OG1 3.03Å |
| 51 | D | 79.5 | Confident | 71 | Confident | 88 Ų | 88 | 100.2 Ų | 100.2 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | -179.4 | -66.1 | -15.5 | 0 | 0 | 0 | 111 | Q47 T54 A55 | Q47-D51 PolarHBondContact NE2-OD1 2.85Å; Q47-D51 WeakPolarHBondContact O-CB 3.33Å; Q47-D51 PolarHBondContact O-N 3.27Å; D51-T54 PolarHBondContact O-N 2.97Å; D51-A55 WeakPolarHBondContact O-CB 3.41Å; D51-A55 PolarHBondContact O-N 3.04Å |
| 52 | K | 73.7 | Confident | 69.2 | Low | 136 Ų | 136 | 98.6 Ų | 98.6 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 174.8 | -72.7 | 167.7 | -173.9 | 163.6 | 0 | 112.3 | S48 I50 A56 | S48-K52 WeakPolarHBondContact O-CD 3.32Å; S48-K52 VanDerWaalsContact O-CG 3.23Å; S48-K52 WeakPolarHBondContact O-CG 3.5Å; S48-K52 PolarHBondContact O-N 2.61Å; S48-K52 PolarHBondContact OG-NZ 3.31Å; I50-K52 PolarHBondContact O-N 3.05Å; K52-A56 VanDerWaalsContact O-CB 3.31Å; K52-A56 WeakPolarHBondContact O-CB 3.29Å; K52-A56 PolarHBondContact O-N 3.41Å |
| 53 | T | 69.6 | Low | 67.9 | Low | 83 Ų | 83 | 97.7 Ų | 97.7 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.9 | -40.6 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | L49 I50 A56 F57 | L49-T53 WeakPolarHBondContact O-CB 3.49Å; L49-T53 PolarHBondContact O-N 3.27Å; L49-T53 PolarHBondContact O-OG1 3.49Å; I50-T53 PolarHBondContact O-N 3.39Å; T53-A56 PolarHBondContact O-N 3.16Å; T53-F57 WeakPolarHBondContact O-CB 3.44Å; T53-F57 PolarHBondContact O-N 3.17Å |
| 54 | T | 70.6 | Confident | 66.7 | Low | 61 Ų | 61 | 97.8 Ų | 97.8 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 178.4 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | I50 D51 F57 Q58 | I50-T54 VanDerWaalsContact O-CB 3.24Å; I50-T54 WeakPolarHBondContact O-CB 3.14Å; I50-T54 PolarHBondContact O-N 3.26Å; I50-T54 PolarHBondContact O-OG1 3.03Å; D51-T54 PolarHBondContact O-N 2.97Å; T54-F57 PolarHBondContact O-N 3.42Å; T54-Q58 WeakPolarHBondContact O-CB 3.39Å; T54-Q58 PolarHBondContact O-N 3.38Å |
| 55 | A | 67.8 | Low | 65.8 | Low | 45 Ų | 45 | 94.3 Ų | 94.3 | 37% | 0.372 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D51 F57 Q58 Q59 | D51-A55 WeakPolarHBondContact O-CB 3.41Å; D51-A55 PolarHBondContact O-N 3.04Å; A55-F57 VanDerWaalsContact C-N 3.34Å; A55-Q58 PolarHBondContact O-N 3.38Å; A55-Q59 WeakPolarHBondContact O-CB 3.44Å; A55-Q59 WeakPolarHBondContact O-CG 3.34Å; A55-Q59 PolarHBondContact O-N 3.38Å |
| 56 | A | 61.6 | Low | 65.2 | Low | 40 Ų | 40 | 95.3 Ų | 95.3 | 33% | 0.331 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -35.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K52 T53 | K52-A56 VanDerWaalsContact O-CB 3.31Å; K52-A56 WeakPolarHBondContact O-CB 3.29Å; K52-A56 PolarHBondContact O-N 3.41Å; T53-A56 PolarHBondContact O-N 3.16Å |
| 57 | F | 60.6 | Low | 64.4 | Low | 122 Ų | 122 | 100.6 Ų | 100.6 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.8 | -43.9 | 175.4 | -164.7 | -93 | 0 | 0 | 0 | 112 | T53 T54 A55 Q59 G60 M62 | T53-F57 WeakPolarHBondContact O-CB 3.44Å; T53-F57 PolarHBondContact O-N 3.17Å; T54-F57 PolarHBondContact O-N 3.42Å; A55-F57 VanDerWaalsContact C-N 3.34Å; F57-Q59 VanDerWaalsContact C-N 3.28Å; F57-Q59 PolarHBondContact O-N 3.34Å; F57-G60 PolarHBondContact O-N 3.49Å; F57-G60 VanDerWaalsContact O-N 3.1Å; F57-M62 HydrophobicContact CB-CG 4.43Å; F57-M62 HydrophobicContact CB-SD 3.95Å; F57-M62 HydrophobicContact CD2-CE 3.79Å; F57-M62 HydrophobicContact CD2-CG 3.59Å; F57-M62 HydrophobicContact CD2-SD 3.65Å; F57-M62 HydrophobicContact CE2-CE 4.45Å; F57-M62 HydrophobicContact CE2-CG 4.22Å; F57-M62 HydrophobicContact CG-CG 4.34Å; F57-M62 HydrophobicContact CG-SD 4.28Å |
| 58 | Q | 63.7 | Low | 62.9 | Low | 157 Ų | 157 | 102.6 Ų | 102.6 | 73% | 0.734 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.2 | -27.4 | 175.2 | -80.3 | 175.8 | 45.3 | 0 | 0 | 113.1 | T54 A55 G60 | T54-Q58 WeakPolarHBondContact O-CB 3.39Å; T54-Q58 PolarHBondContact O-N 3.38Å; A55-Q58 PolarHBondContact O-N 3.38Å; Q58-G60 PolarHBondContact O-N 2.91Å |
| 59 | Q | 59.9 | Low | 62.1 | Low | 137 Ų | 137 | 103.8 Ų | 103.8 | 64% | 0.64 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 2.3 | 172.5 | -74.8 | 174.7 | 4.7 | 0 | 0 | 113.6 | A55 F57 K61 | A55-Q59 WeakPolarHBondContact O-CB 3.44Å; A55-Q59 WeakPolarHBondContact O-CG 3.34Å; A55-Q59 PolarHBondContact O-N 3.38Å; F57-Q59 VanDerWaalsContact C-N 3.28Å; F57-Q59 PolarHBondContact O-N 3.34Å; Q59-K61 VanDerWaalsContact C-N 3.31Å; Q59-K61 PolarHBondContact O-N 3.5Å |
| 60 | G | 56.9 | Low | 61.3 | Low | 65 Ų | 65 | 101.4 Ų | 101.4 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.6 | 19.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F57 Q58 | F57-G60 PolarHBondContact O-N 3.49Å; F57-G60 VanDerWaalsContact O-N 3.1Å; Q58-G60 PolarHBondContact O-N 2.91Å |
| 61 | K | 55.8 | Low | 60.1 | Low | 183 Ų | 183 | 102.9 Ų | 102.9 | 80% | 0.796 | 61% | 0.605 | S | S | * | * | trans | -99.3 | 8.4 | -176.3 | -71.5 | -178.3 | -178.6 | 176.9 | 0 | 115.2 | Q59 | Q59-K61 VanDerWaalsContact C-N 3.31Å; Q59-K61 PolarHBondContact O-N 3.5Å | ||
| 62 | M | 49.9 | Very low | 58.9 | Low | 85 Ų | 85 | 104 Ų | 104 | 42% | 0.419 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -125.6 | 123.9 | 175.8 | 45.6 | -157.7 | -66.1 | 0 | 0 | 110.5 | F57 | F57-M62 HydrophobicContact CB-CG 4.43Å; F57-M62 HydrophobicContact CB-SD 3.95Å; F57-M62 HydrophobicContact CD2-CE 3.79Å; F57-M62 HydrophobicContact CD2-CG 3.59Å; F57-M62 HydrophobicContact CD2-SD 3.65Å; F57-M62 HydrophobicContact CE2-CE 4.45Å; F57-M62 HydrophobicContact CE2-CG 4.22Å; F57-M62 HydrophobicContact CG-CG 4.34Å; F57-M62 HydrophobicContact CG-SD 4.28Å |
| 63 | P | 53.3 | Low | 58 | Low | 99 Ų | 99 | 104.3 Ų | 104.3 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | trans | -62.4 | 146.7 | 179.3 | 26.1 | -32.6 | 0 | 0 | 0 | 109.8 | T65 | P63-T65 PolarHBondContact O-N 3.23Š| ||
| 64 | P | 53.9 | Low | 57.4 | Low | 118 Ų | 118 | 104 Ų | 104 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -68.6 | 16.7 | -173.4 | 27.4 | -34.4 | 0 | 0 | 0 | 115 | ||
| 65 | T | 55.3 | Low | 56.6 | Low | 70 Ų | 70 | 104.8 Ų | 104.8 | 43% | 0.429 | 67% | 0.667 | S | S | . | * | trans | -149.3 | 113.1 | -175.6 | 30 | 0 | 0 | 0 | 0 | 110 | P63 F67 | P63-T65 PolarHBondContact O-N 3.23Å; T65-F67 PolarHBondContact O-N 3.48Å | ||
| 66 | P | 60.3 | Low | 55.8 | Low | 121 Ų | 121 | 107 Ų | 107 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -68.1 | -10.6 | 169.5 | -15.8 | 29.6 | 0 | 0 | 0 | 112.8 | ||
| 67 | F | 56.7 | Low | 55.5 | Low | 159 Ų | 159 | 114 Ų | 114 | 70% | 0.697 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -127.5 | 116.2 | -176.7 | -71.7 | -84.4 | 0 | 0 | 0 | 110.5 | T65 G69 | T65-F67 PolarHBondContact O-N 3.48Å; F67-G69 PolarHBondContact O-N 2.93Å |
| 68 | P | 45.8 | Very low | 55.3 | Low | 137 Ų | 137 | 115.6 Ų | 115.6 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 101.7 | 168.7 | 12.4 | -2.8 | 0 | 0 | 0 | 108.3 | ||
| 69 | G | 58.8 | Low | 54.8 | Low | 75 Ų | 75 | 113.1 Ų | 113.1 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.6 | -0.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | F67 | F67-G69 PolarHBondContact O-N 2.93Š|
| 70 | A | 57.7 | Low | 54.7 | Low | 64 Ų | 64 | 112 Ų | 112 | 53% | 0.529 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 131.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 71 | P | 50.4 | Low | 54.4 | Low | 115 Ų | 115 | 115.1 Ų | 115.1 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 156.1 | 177.1 | -11.9 | 26.4 | 0 | 0 | 0 | 111.5 | ||
| 72 | P | 54.3 | Low | 54.2 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 148.3 | -175.6 | 22.9 | -32.5 | 0 | 0 | 0 | 112.4 | G74 | P72-G74 VanDerWaalsContact C-N 3.29Å; P72-G74 PolarHBondContact O-N 2.92Å |
| 73 | P | 55.4 | Low | 54.6 | Low | 143 Ų | 143 | 116.1 Ų | 116.1 | 93% | 0.929 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -73.8 | 83.9 | -179.8 | 30.9 | -32.8 | 0 | 0 | 0 | 109.5 | ||
| 74 | G | 56.4 | Low | 54.7 | Low | 77 Ų | 77 | 118.2 Ų | 118.2 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -167.2 | 21.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P72 | P72-G74 VanDerWaalsContact C-N 3.29Å; P72-G74 PolarHBondContact O-N 2.92Å |
| 75 | G | 55 | Low | 54.8 | Low | 77 Ų | 77 | 115.8 Ų | 115.8 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -159.7 | 17.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 76 | A | 50.4 | Low | 55.2 | Low | 91 Ų | 91 | 118.1 Ų | 118.1 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -105.2 | 89.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I78 | A76-I78 PolarHBondContact O-N 3.14Š| ||
| 77 | M | 54.4 | Low | 54.8 | Low | 187 Ų | 187 | 118 Ų | 118 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -52.9 | 107.4 | 158 | -73.3 | -82.3 | -129.9 | 0 | 0 | 107.6 | P79 | M77-P79 WeakPolarHBondContact O-CD 3.48Š| ||
| 78 | I | 56.8 | Low | 54.9 | Low | 156 Ų | 156 | 122 Ų | 122 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -72.5 | 112.3 | 171 | -58.1 | -175.1 | 0 | 0 | 0 | 106.2 | A76 | A76-I78 PolarHBondContact O-N 3.14Š| ||
| 79 | P | 54.1 | Low | 54.9 | Low | 104 Ų | 104 | 121.6 Ų | 121.6 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -64.4 | 145.4 | 174.9 | 26.7 | -32.1 | 0 | 0 | 0 | 109.7 | M77 | M77-P79 WeakPolarHBondContact O-CD 3.48Š| ||
| 80 | P | 56.5 | Low | 54.2 | Low | 114 Ų | 114 | 121.1 Ų | 121.1 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -57.2 | 147 | -178.9 | 22.4 | -32.2 | 0 | 0 | 0 | 111.1 | N82 | P80-N82 PolarHBondContact O-N 3.27Š| ||
| 81 | P | 50.6 | Low | 54.2 | Low | 130 Ų | 130 | 127.3 Ų | 127.3 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | trans | -60.8 | 103.2 | -178.8 | -17.8 | 29.7 | 0 | 0 | 0 | 109.9 | L83 | P81-L83 PolarHBondContact O-N 3.43Š| ||
| 82 | N | 52.8 | Low | 54.4 | Low | 127 Ų | 127 | 129.1 Ų | 129.1 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -62 | 123.2 | 173 | -171.9 | 20.9 | 0 | 0 | 0 | 108.2 | P80 H84 | P80-N82 PolarHBondContact O-N 3.27Å; N82-H84 PolarHBondContact O-N 3.02Å; N82-H84 PolarHBondContact OD1-ND1 3.21Å; N82-H84 VanDerWaalsContact OD1-ND1 3.08Å | ||
| 83 | L | 57.6 | Low | 54.2 | Low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -70.9 | 29.9 | -176.1 | -122.1 | 138.5 | 0 | 0 | 0 | 113.5 | P81 | P81-L83 PolarHBondContact O-N 3.43Š|
| 84 | H | 54.5 | Low | 54.1 | Low | 143 Ų | 143 | 129 Ų | 129 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -139.8 | 100.2 | -173.9 | -58.3 | 94.3 | 0 | 0 | 0 | 108.3 | N82 | N82-H84 PolarHBondContact O-N 3.02Å; N82-H84 PolarHBondContact OD1-ND1 3.21Å; N82-H84 VanDerWaalsContact OD1-ND1 3.08Å |
| 85 | G | 56.1 | Low | 53.6 | Low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58 | 161.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 86 | P | 64 | Low | 53.6 | Low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 141 | -178.7 | 24 | -32.1 | 0 | 0 | 0 | 111.3 | R88 | P86-R88 PolarHBondContact O-N 2.91Š|
| 87 | P | 52.9 | Low | 53.7 | Low | 118 Ų | 118 | 141.5 Ų | 141.5 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123.4 | 175 | 26.9 | -31.6 | 0 | 0 | 0 | 108.4 | P89 | P87-P89 WeakPolarHBondContact O-CD 3.27Š|
| 88 | R | 58.9 | Low | 53.7 | Low | 243 Ų | 243 | 136.5 Ų | 136.5 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58 | 117 | 177.2 | -73.2 | 173.7 | 160.9 | -104.9 | -0.9 | 109.6 | P86 G90 | P86-R88 PolarHBondContact O-N 2.91Å; R88-G90 PolarHBondContact O-N 3.23Å |
| 89 | P | 45.2 | Very low | 53.5 | Low | 130 Ų | 130 | 132.2 Ų | 132.2 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 124.3 | 172.7 | -14.9 | 31.7 | 0 | 0 | 0 | 109.8 | P87 | P87-P89 WeakPolarHBondContact O-CD 3.27Š|
| 90 | G | 44.9 | Very low | 53.5 | Low | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | 91.2 | 77.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | R88 L92 | R88-G90 PolarHBondContact O-N 3.23Å; G90-L92 PolarHBondContact O-N 2.92Å | ||
| 91 | M | 56.4 | Low | 53.3 | Low | 195 Ų | 195 | 133.4 Ų | 133.4 | 96% | 0.961 | 80% | 0.799 | S | S | * | * | trans | -73.4 | 102.7 | 144.1 | -82.7 | 167.4 | 75.9 | 0 | 0 | 107.3 | ||||
| 92 | L | 54.6 | Low | 53.8 | Low | 152 Ų | 152 | 136.3 Ų | 136.3 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 134.3 | 161.1 | -104 | 74.4 | 0 | 0 | 0 | 108.4 | G90 T94 | G90-L92 PolarHBondContact O-N 2.92Å; L92-T94 PolarHBondContact O-N 2.85Å |
| 93 | P | 51.2 | Low | 54.1 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 116.7 | 171.3 | 26.9 | -30.4 | 0 | 0 | 0 | 108.9 | P95 | P93-P95 WeakPolarHBondContact O-CD 3.22Š|
| 94 | T | 51.9 | Low | 53.9 | Low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 124.9 | 169.7 | 35 | 0 | 0 | 0 | 0 | 110 | L92 Q96 | L92-T94 PolarHBondContact O-N 2.85Å; T94-Q96 PolarHBondContact O-N 3.1Å |
| 95 | P | 47.6 | Very low | 53.8 | Low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 126.6 | 170.5 | -19.8 | 32 | 0 | 0 | 0 | 110.6 | P93 M97 | P93-P95 WeakPolarHBondContact O-CD 3.22Å; P95-M97 PolarHBondContact O-N 2.87Å |
| 96 | Q | 54.5 | Low | 53.6 | Low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -54.3 | 98.3 | 169.4 | -178.3 | 179.3 | -84 | 0 | 0 | 110.2 | T94 | T94-Q96 PolarHBondContact O-N 3.1Š| ||
| 97 | M | 52 | Low | 52.6 | Low | 189 Ų | 189 | 141 Ų | 141 | 93% | 0.931 | 82% | 0.822 | S | S | * | * | trans | -97.2 | 115 | 170.2 | -133.6 | -172.1 | -175.5 | 0 | 0 | 108.3 | P95 | P95-M97 PolarHBondContact O-N 2.87Š| ||
| 98 | G | 53.8 | Low | 52.3 | Low | 83 Ų | 83 | 139 Ų | 139 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -61.6 | 133.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 99 | G | 53.2 | Low | 52 | Low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | -133.3 | 144.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 100 | P | 54.3 | Low | 52.3 | Low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 165.4 | -168.1 | 31.5 | -35.9 | 0 | 0 | 0 | 113.6 | ||
| 101 | P | 52.9 | Low | 53.1 | Low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 144.3 | -155.5 | 28.4 | -35.2 | 0 | 0 | 0 | 115 | ||
| 102 | M | 59.8 | Low | 53.3 | Low | 191 Ų | 191 | 132.5 Ų | 132.5 | 94% | 0.941 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 123.2 | 170.3 | -154.4 | 177.2 | -163.7 | 0 | 0 | 110.3 | ||
| 103 | M | 59.3 | Low | 53.7 | Low | 169 Ų | 169 | 131.3 Ų | 131.3 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 138.2 | 169.8 | -77 | -79.5 | -176.4 | 0 | 0 | 110.1 | ||
| 104 | P | 54.2 | Low | 53.7 | Low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -86.5 | 110.7 | 177.5 | 31.9 | -28.8 | 0 | 0 | 0 | 110.3 | M106 | P104-M106 PolarHBondContact O-N 3.41Š| ||
| 105 | M | 51.6 | Low | 53.5 | Low | 179 Ų | 179 | 128.9 Ų | 128.9 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -92 | 83.7 | 167.1 | -163.7 | -178.5 | 165.8 | 0 | 0 | 110 | ||||
| 106 | M | 52.2 | Low | 53.7 | Low | 188 Ų | 188 | 132.9 Ų | 132.9 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -76.9 | 125.4 | 156.8 | -177.1 | -176.3 | 178.6 | 0 | 0 | 108.3 | P104 | P104-M106 PolarHBondContact O-N 3.41Š| ||
| 107 | G | 42.4 | Very low | 53.6 | Low | 60 Ų | 60 | 133 Ų | 133 | 62% | 0.619 | 83% | 0.828 | S | S | * | * | trans | 131.3 | 123.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 108 | G | 46.4 | Very low | 53 | Low | 78 Ų | 78 | 127.8 Ų | 127.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 140.9 | 80.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G110 | G108-G110 PolarHBondContact O-N 3.36Å; G108-G110 VanDerWaalsContact O-N 3.13Å | ||
| 109 | M | 53.7 | Low | 52.6 | Low | 199 Ų | 199 | 127.2 Ų | 127.2 | 98% | 0.98 | 82% | 0.817 | S | S | * | * | trans | -53.7 | 111.8 | 156.1 | -75.6 | 139.5 | 75 | 0 | 0 | 109.3 | ||||
| 110 | G | 50.8 | Low | 52.4 | Low | 68 Ų | 68 | 130.8 Ų | 130.8 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 132.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G108 | G108-G110 PolarHBondContact O-N 3.36Å; G108-G110 VanDerWaalsContact O-N 3.13Å |
| 111 | P | 63.1 | Low | 52.2 | Low | 121 Ų | 121 | 127.9 Ų | 127.9 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 158.3 | -175.1 | 28.6 | -33.4 | 0 | 0 | 0 | 113.5 | ||
| 112 | P | 59.4 | Low | 52.2 | Low | 106 Ų | 106 | 131.3 Ų | 131.3 | 69% | 0.688 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72 | 153.9 | -172.2 | 30.9 | -35.8 | 0 | 0 | 0 | 112.5 | P114 | P112-P114 WeakPolarHBondContact O-CD 3.29Š|
| 113 | P | 64.5 | Low | 52 | Low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 121.7 | 179.4 | 25.3 | -31.6 | 0 | 0 | 0 | 111.3 | ||
| 114 | P | 49.6 | Very low | 51.9 | Low | 129 Ų | 129 | 130.3 Ų | 130.3 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 131.2 | 173.5 | -10.4 | 29.1 | 0 | 0 | 0 | 111.2 | P112 | P112-P114 WeakPolarHBondContact O-CD 3.29Š|
| 115 | G | 48.3 | Very low | 52 | Low | 73 Ų | 73 | 130.6 Ų | 130.6 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 94.1 | 93.3 | 149 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 116 | M | 50.8 | Low | 51.9 | Low | 206 Ų | 206 | 129.8 Ų | 129.8 | 100% | 1.015 | 82% | 0.819 | S | S | * | * | trans | -147.2 | 87.3 | 131.5 | -107.7 | 172.3 | 103.6 | 0 | 0 | 108.1 | ||||
| 117 | M | 52.4 | Low | 51.8 | Low | 199 Ų | 199 | 124 Ų | 124 | 98% | 0.98 | 81% | 0.807 | S | S | * | * | trans | -105 | 128.9 | 163.7 | 176.9 | 172.7 | 170.8 | 0 | 0 | 107.6 | ||||
| 118 | G | 40.4 | Very low | 51.8 | Low | 80 Ų | 80 | 124.5 Ų | 124.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 136.4 | 122.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 119 | G | 46.4 | Very low | 51.9 | Low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | cis | -173.6 | -170.6 | 10.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 120 | P | 48.4 | Very low | 51.6 | Low | 139 Ų | 139 | 129.9 Ų | 129.9 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | -86.9 | 145.9 | -149.4 | 34.7 | -34.2 | 0 | 0 | 0 | 114 | ||||
| 121 | G | 50 | Low | 51.6 | Low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | 113.1 | 106.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 122 | M | 51.7 | Low | 51 | Low | 188 Ų | 188 | 136.1 Ų | 136.1 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | trans | 169.2 | 93.5 | 131.8 | -89.4 | 153.3 | -177.7 | 0 | 0 | 107 | P124 | M122-P124 WeakPolarHBondContact O-CD 3.4Š| ||
| 123 | R | 57.2 | Low | 50.5 | Low | 227 Ų | 227 | 139.5 Ų | 139.5 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 124 | 159.6 | -69.7 | 166.2 | 66.3 | -137.8 | 4.7 | 107 | ||
| 124 | P | 55.5 | Low | 49.7 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 159.8 | 151.9 | 3 | 18.1 | 0 | 0 | 0 | 110.1 | M122 | M122-P124 WeakPolarHBondContact O-CD 3.4Š|
| 125 | P | 57 | Low | 49.6 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | -88 | 154 | -125.8 | 29.7 | -35.9 | 0 | 0 | 0 | 116 | |||
| 126 | M | 50.5 | Low | 49.5 | Very low | 163 Ų | 163 | 140 Ų | 140 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | trans | -41.9 | 138.3 | 165.4 | -168.6 | -169.1 | -171.9 | 0 | 0 | 112.6 | G128 | M126-G128 PolarHBondContact O-N 2.69Š| ||
| 127 | G | 49.6 | Very low | 49.4 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -50.5 | 118 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 128 | G | 41.6 | Very low | 49.3 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -98.7 | 93.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | M126 M130 | M126-G128 PolarHBondContact O-N 2.69Å; G128-M130 PolarHBondContact O-N 3.04Å | ||
| 129 | R | 48.4 | Very low | 49.8 | Very low | 209 Ų | 209 | 139.5 Ų | 139.5 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | trans | -62.2 | 109 | 155.8 | 68.9 | -165.5 | -173.9 | -85.2 | -3.8 | 106.6 | ||||
| 130 | M | 47.9 | Very low | 50.2 | Low | 181 Ų | 181 | 147 Ų | 147 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -112.7 | 118.7 | 167.1 | -130 | 73.6 | 172.5 | 0 | 0 | 108 | G128 | G128-M130 PolarHBondContact O-N 3.04Š| ||
| 131 | Q | 50.3 | Low | 50.7 | Low | 142 Ų | 142 | 145.5 Ų | 145.5 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -63.6 | 145.2 | 179.6 | -75.7 | 96.3 | 78.9 | 0 | 0 | 112.1 | ||||
| 132 | M | 50.8 | Low | 51.1 | Low | 178 Ų | 178 | 147.9 Ų | 147.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | 44.1 | 120.7 | 137 | -65.3 | 172.7 | 160.4 | 0 | 0 | 119.7 | ||||
| 133 | M | 49.8 | Very low | 51 | Low | 176 Ų | 176 | 142.5 Ų | 142.5 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | -155 | 152.9 | 110.2 | -93.8 | -138.6 | 102.5 | 0 | 0 | 112.4 | |||||
| 134 | P | 47.9 | Very low | 50.8 | Low | 99 Ų | 99 | 139.9 Ų | 139.9 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | -95.5 | 146.2 | -168.3 | 36 | -26.3 | 0 | 0 | 0 | 112.8 | ||||
| 135 | G | 47.2 | Very low | 50.7 | Low | 61 Ų | 61 | 139.4 Ų | 139.4 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | trans | 57.5 | 92.7 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 136 | H | 44.6 | Very low | 50.5 | Low | 180 Ų | 180 | 142 Ų | 142 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | trans | -118.4 | 94.7 | 157.2 | 2.4 | 160.9 | 0 | 0 | 0 | 107.2 | ||||
| 137 | H | 48.8 | Very low | 50.7 | Low | 145 Ų | 145 | 142.2 Ų | 142.2 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | -68.9 | 152.1 | 166.8 | 33.7 | -82.1 | 0 | 0 | 0 | 109.7 | ||||
| 138 | M | 50.8 | Low | 50.9 | Low | 156 Ų | 156 | 148 Ų | 148 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | trans | 83.5 | 103.4 | 163.6 | -47.2 | -161.8 | -168.1 | 0 | 0 | 117.1 | ||||
| 139 | M | 51.9 | Low | 51.7 | Low | 174 Ų | 174 | 155.1 Ų | 155.1 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | -161.8 | 91.9 | 111.7 | -90.2 | -51.2 | 131.4 | 0 | 0 | 108.6 | |||||
| 140 | R | 53.3 | Low | 51.8 | Low | 227 Ų | 227 | 150.4 Ų | 150.4 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 118.5 | 162.9 | 175.5 | 155.7 | 63.7 | -134.3 | 5.2 | 106.4 | ||
| 141 | P | 60.2 | Low | 51.9 | Low | 109 Ų | 109 | 150.5 Ų | 150.5 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 140.4 | 172.3 | 24.6 | -29.9 | 0 | 0 | 0 | 109.3 | G143 | P141-G143 PolarHBondContact O-N 3.35Š|
| 142 | P | 57.3 | Low | 52.2 | Low | 116 Ų | 116 | 151.4 Ų | 151.4 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134.2 | 179.7 | 23.4 | -30.6 | 0 | 0 | 0 | 110.2 | H144 | P142-H144 PolarHBondContact O-N 2.94Š|
| 143 | G | 50.8 | Low | 52.4 | Low | 75 Ų | 75 | 147.2 Ų | 147.2 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 117.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P141 P145 | P141-G143 PolarHBondContact O-N 3.35Å; G143-P145 WeakPolarHBondContact O-CD 3.4Å |
| 144 | H | 53.5 | Low | 52.9 | Low | 173 Ų | 173 | 150 Ų | 150 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 123.5 | 161 | -93.9 | -61 | 0 | 0 | 0 | 108.4 | P142 M146 | P142-H144 PolarHBondContact O-N 2.94Å; H144-M146 PolarHBondContact O-N 3.46Å; H144-M146 VanDerWaalsContact O-N 3.1Å |
| 145 | P | 51.7 | Low | 53.6 | Low | 102 Ų | 102 | 151.3 Ų | 151.3 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | -67.6 | 109.4 | 161.5 | 27.5 | -29.2 | 0 | 0 | 0 | 107.1 | G143 M147 | G143-P145 WeakPolarHBondContact O-CD 3.4Å; P145-M147 VanDerWaalsContact C-N 3.32Å; P145-M147 PolarHBondContact O-N 3.21Å | ||
| 146 | M | 53.6 | Low | 53.9 | Low | 180 Ų | 180 | 156.4 Ų | 156.4 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -62.6 | 99.5 | 165.9 | -72.7 | -69 | -137.5 | 0 | 0 | 107.2 | H144 M148 | H144-M146 PolarHBondContact O-N 3.46Å; H144-M146 VanDerWaalsContact O-N 3.1Å; M146-M148 PolarHBondContact O-N 3.23Å | ||
| 147 | M | 55.1 | Low | 54.2 | Low | 166 Ų | 166 | 162.5 Ų | 162.5 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -60 | 118 | 169.4 | -59.5 | -175.9 | -176.8 | 0 | 0 | 107.4 | P145 R149 | P145-M147 VanDerWaalsContact C-N 3.32Å; P145-M147 PolarHBondContact O-N 3.21Å; M147-R149 PolarHBondContact O-N 3.18Å | ||
| 148 | M | 54.1 | Low | 54.4 | Low | 189 Ų | 189 | 163.4 Ų | 163.4 | 93% | 0.931 | 83% | 0.828 | S | S | * | * | trans | -51.7 | 111.2 | 169.5 | -77.8 | 179.6 | 148.9 | 0 | 0 | 108.5 | M146 P150 | M146-M148 PolarHBondContact O-N 3.23Å; M148-P150 WeakPolarHBondContact O-CD 3.18Å | ||
| 149 | R | 56.8 | Low | 54.6 | Low | 219 Ų | 219 | 163.7 Ų | 163.7 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -72.5 | 125.3 | 170.5 | -68.6 | 175 | 71 | -123.3 | 3.4 | 107.5 | M147 M151 | M147-R149 PolarHBondContact O-N 3.18Å; R149-M151 PolarHBondContact O-N 3.36Å | ||
| 150 | P | 50.8 | Low | 54.8 | Low | 111 Ų | 111 | 163.2 Ų | 163.2 | 72% | 0.721 | 83% | 0.83 | S | S | * | * | trans | -63.9 | 131.8 | 173.8 | -18.2 | 30.9 | 0 | 0 | 0 | 110.2 | M148 M152 | M148-P150 WeakPolarHBondContact O-CD 3.18Å; P150-M152 PolarHBondContact O-N 2.97Å | ||
| 151 | M | 51.2 | Low | 54.9 | Low | 182 Ų | 182 | 159.4 Ų | 159.4 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -51.9 | 103.5 | 169.7 | -178.3 | 79.5 | 175.9 | 0 | 0 | 109.8 | R149 A153 | R149-M151 PolarHBondContact O-N 3.36Å; M151-A153 PolarHBondContact O-N 3.13Å; M151-A153 VanDerWaalsContact O-N 3.13Å | ||
| 152 | M | 55.4 | Low | 54.5 | Low | 162 Ų | 162 | 162.6 Ų | 162.6 | 80% | 0.798 | 84% | 0.836 | S | S | * | * | trans | -73.9 | 104.1 | 167.9 | -73.2 | 166 | -164.1 | 0 | 0 | 107.6 | P150 R154 | P150-M152 PolarHBondContact O-N 2.97Å; M152-R154 PolarHBondContact O-N 3.31Å | ||
| 153 | A | 55.5 | Low | 54.4 | Low | 89 Ų | 89 | 165.7 Ų | 165.7 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 123.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.5 | M151 | M151-A153 PolarHBondContact O-N 3.13Å; M151-A153 VanDerWaalsContact O-N 3.13Å |
| 154 | R | 59.3 | Low | 54.6 | Low | 234 Ų | 234 | 172.1 Ų | 172.1 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 133.9 | 173 | -58.3 | -176.6 | 74.4 | -176.7 | 1.7 | 108 | M152 | M152-R154 PolarHBondContact O-N 3.31Š|
| 155 | P | 62.9 | Low | 54.7 | Low | 127 Ų | 127 | 172.1 Ų | 172.1 | 83% | 0.825 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 139.3 | 170.2 | 30.7 | -30 | 0 | 0 | 0 | 110.3 | ||
| 156 | D | 54.7 | Low | 55 | Low | 168 Ų | 168 | 177.9 Ų | 177.9 | 90% | 0.898 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 130.1 | 175.8 | -164.8 | -101.4 | 0 | 0 | 0 | 111.9 | ||
| 157 | R | 49.9 | Very low | 55.1 | Low | 308 Ų | 308 | 177.7 Ų | 177.7 | 100% | 1.162 | 86% | 0.863 | S | S | * | * | trans | -162.2 | 0 | 152.2 | -155.4 | 178.6 | -173.6 | -172.2 | 2.2 | 111.6 |
Retrieved 157 of 157 residues in 182.4 ms
(Link to these results)