| 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 | 60.9 | Low | 86.8 | Confident | 209 Ų | 209 | 125.1 Ų | 125.1 | 100% | 1.03 | 60% | 0.604 | S | S | * | * | 0 | -35.1 | 0 | -166.5 | 171.5 | -96.4 | 0 | 0 | 109.9 | D3 | M1-D3 PolarHBondContact O-N 3.31Š| |||
| 2 | D | 73.5 | Confident | 87.4 | Confident | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.6 | -34.4 | -176.4 | -47.7 | -77.2 | 0 | 0 | 0 | 115.2 | Q4 E5 M6 | D2-Q4 PolarHBondContact O-N 3.5Å; D2-E5 PolarHBondContact O-N 3.42Å; D2-M6 WeakPolarHBondContact O-CB 3.39Å; D2-M6 PolarHBondContact O-N 3.2Å |
| 3 | D | 83.6 | Confident | 87.9 | Confident | 104 Ų | 104 | 128.4 Ų | 128.4 | 56% | 0.556 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.3 | -37.2 | -177.3 | -162.8 | 53.9 | 0 | 0 | 0 | 112.3 | M1 M6 Q7 | M1-D3 PolarHBondContact O-N 3.31Å; D3-M6 WeakPolarHBondContact O-CB 3.44Å; D3-M6 PolarHBondContact O-N 3.18Å; D3-M6 WeakPolarHBondContact OD1-CE 3.33Å; D3-Q7 VanDerWaalsContact O-CG 3.32Å; D3-Q7 WeakPolarHBondContact O-CG 3.45Å; D3-Q7 PolarHBondContact O-N 3.15Å |
| 4 | Q | 88.5 | Confident | 88.2 | Confident | 149 Ų | 149 | 123.9 Ų | 123.9 | 70% | 0.696 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.2 | -35.6 | 177.6 | -171.7 | 158.5 | 9.7 | 0 | 0 | 112.3 | D2 Q7 L8 | D2-Q4 PolarHBondContact O-N 3.5Å; Q4-Q7 PolarHBondContact O-N 3.11Å; Q4-L8 WeakPolarHBondContact O-CG 3.38Å; Q4-L8 PolarHBondContact O-N 3.43Å; Q4-L8 VanDerWaalsContact O-N 3.11Å |
| 5 | E | 90 | Very high | 88.6 | Confident | 96 Ų | 96 | 121.6 Ų | 121.6 | 45% | 0.449 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.8 | -40.1 | 173.1 | -169 | -174.3 | 156.3 | 0 | 0 | 111.2 | D2 L8 K9 | D2-E5 PolarHBondContact O-N 3.42Å; E5-L8 PolarHBondContact O-N 3.12Å; E5-K9 WeakPolarHBondContact O-CG 3.42Å; E5-K9 PolarHBondContact O-N 3.03Å; E5-K9 WeakPolarHBondContact OE1-CE 3.42Å; E5-K9 IonicContact OE1-NZ 2.66Å; E5-K9 PolarHBondContact OE1-NZ 3.2Å |
| 6 | M | 91.6 | Very high | 88.7 | Confident | 102 Ų | 102 | 122.6 Ų | 122.6 | 50% | 0.502 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.2 | -46.1 | 175.1 | -177.5 | 171 | 63.1 | 0 | 0 | 111.5 | D2 D3 L8 K9 V10 | D2-M6 WeakPolarHBondContact O-CB 3.39Å; D2-M6 PolarHBondContact O-N 3.2Å; D3-M6 WeakPolarHBondContact O-CB 3.44Å; D3-M6 PolarHBondContact O-N 3.18Å; D3-M6 WeakPolarHBondContact OD1-CE 3.33Å; M6-L8 VanDerWaalsContact C-N 3.31Å; M6-L8 PolarHBondContact O-N 3.46Å; M6-K9 PolarHBondContact O-N 3.14Å; M6-K9 VanDerWaalsContact O-N 3.16Å; M6-V10 HydrophobicContact CG-CG2 4.49Å; M6-V10 WeakPolarHBondContact O-CG2 3.15Å; M6-V10 PolarHBondContact O-N 3.37Å |
| 7 | Q | 92.1 | Very high | 88.8 | Confident | 112 Ų | 112 | 123.5 Ų | 123.5 | 52% | 0.523 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.7 | -40.2 | 176.8 | -70.3 | -63.3 | -15.3 | 0 | 0 | 112.4 | D3 Q4 V10 R11 | D3-Q7 VanDerWaalsContact O-CG 3.32Å; D3-Q7 WeakPolarHBondContact O-CG 3.45Å; D3-Q7 PolarHBondContact O-N 3.15Å; Q4-Q7 PolarHBondContact O-N 3.11Å; Q7-V10 PolarHBondContact O-N 3.48Å; Q7-R11 WeakPolarHBondContact O-CB 3.43Å; Q7-R11 PolarHBondContact O-N 3.35Å |
| 8 | L | 94.2 | Very high | 88.8 | Confident | 110 Ų | 110 | 121.7 Ų | 121.7 | 58% | 0.576 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.6 | -40.6 | 175.3 | -78.9 | 164.2 | 0 | 0 | 0 | 112.2 | Q4 E5 M6 R12 | Q4-L8 WeakPolarHBondContact O-CG 3.38Å; Q4-L8 PolarHBondContact O-N 3.43Å; Q4-L8 VanDerWaalsContact O-N 3.11Å; E5-L8 PolarHBondContact O-N 3.12Å; M6-L8 VanDerWaalsContact C-N 3.31Å; M6-L8 PolarHBondContact O-N 3.46Å; L8-R12 WeakPolarHBondContact O-CB 3.28Å; L8-R12 PolarHBondContact O-N 3.17Å |
| 9 | K | 92.2 | Very high | 88.6 | Confident | 124 Ų | 124 | 122.2 Ų | 122.2 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.3 | -45.7 | 176.5 | -73.5 | 174.2 | -176.3 | 166.9 | 0 | 111.8 | E5 M6 R12 V13 | E5-K9 WeakPolarHBondContact O-CG 3.42Å; E5-K9 PolarHBondContact O-N 3.03Å; E5-K9 WeakPolarHBondContact OE1-CE 3.42Å; E5-K9 IonicContact OE1-NZ 2.66Å; E5-K9 PolarHBondContact OE1-NZ 3.2Å; M6-K9 PolarHBondContact O-N 3.14Å; M6-K9 VanDerWaalsContact O-N 3.16Å; K9-R12 PolarHBondContact O-N 3.31Å; K9-V13 WeakPolarHBondContact O-CG2 3.36Å; K9-V13 PolarHBondContact O-N 3.32Å |
| 10 | V | 94.7 | Very high | 88.1 | Confident | 79 Ų | 79 | 120 Ų | 120 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.7 | -48.3 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | M6 Q7 R12 V13 S14 | M6-V10 HydrophobicContact CG-CG2 4.49Å; M6-V10 WeakPolarHBondContact O-CG2 3.15Å; M6-V10 PolarHBondContact O-N 3.37Å; Q7-V10 PolarHBondContact O-N 3.48Å; V10-R12 VanDerWaalsContact C-N 3.32Å; V10-R12 PolarHBondContact O-N 3.35Å; V10-V13 PolarHBondContact O-N 2.92Å; V10-S14 PolarHBondContact O-N 3.33Å |
| 11 | R | 93.1 | Very high | 87.7 | Confident | 164 Ų | 164 | 118.7 Ų | 118.7 | 62% | 0.619 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.6 | -45.7 | 176.6 | -177.2 | 176.4 | 176.9 | -174.4 | 2.6 | 111.8 | Q7 V13 S14 D15 | Q7-R11 WeakPolarHBondContact O-CB 3.43Å; Q7-R11 PolarHBondContact O-N 3.35Å; R11-V13 VanDerWaalsContact C-N 3.31Å; R11-V13 PolarHBondContact O-N 3.28Å; R11-S14 PolarHBondContact O-N 2.75Å; R11-D15 IonicContact NE-OD2 3.54Å; R11-D15 WeakPolarHBondContact O-CB 3.34Å; R11-D15 PolarHBondContact O-N 3.39Å |
| 12 | R | 93.9 | Very high | 88.5 | Confident | 188 Ų | 188 | 116.8 Ų | 116.8 | 71% | 0.709 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.7 | -37.8 | 179.6 | -164.7 | 177.6 | -153.1 | 155.4 | 5.2 | 113 | L8 K9 V10 K16 | L8-R12 WeakPolarHBondContact O-CB 3.28Å; L8-R12 PolarHBondContact O-N 3.17Å; K9-R12 PolarHBondContact O-N 3.31Å; V10-R12 VanDerWaalsContact C-N 3.32Å; V10-R12 PolarHBondContact O-N 3.35Å; R12-K16 PolarHBondContact O-N 3.5Å |
| 13 | V | 94.9 | Very high | 88.4 | Confident | 105 Ų | 105 | 114.6 Ų | 114.6 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.4 | -45.8 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | K9 V10 R11 D15 K16 F17 | K9-V13 WeakPolarHBondContact O-CG2 3.36Å; K9-V13 PolarHBondContact O-N 3.32Å; V10-V13 PolarHBondContact O-N 2.92Å; R11-V13 VanDerWaalsContact C-N 3.31Å; R11-V13 PolarHBondContact O-N 3.28Å; V13-D15 PolarHBondContact O-N 2.93Å; V13-K16 PolarHBondContact O-N 3.4Å; V13-F17 WeakPolarHBondContact O-CB 3.34Å; V13-F17 PolarHBondContact O-N 3.3Å |
| 14 | S | 92.3 | Very high | 87.8 | Confident | 66 Ų | 66 | 115.1 Ų | 115.1 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.1 | -46.8 | 175.7 | -81.4 | 0 | 0 | 0 | 0 | 112.2 | V10 R11 K16 F17 T18 | V10-S14 PolarHBondContact O-N 3.33Å; R11-S14 PolarHBondContact O-N 2.75Å; S14-K16 PolarHBondContact O-N 3Å; S14-F17 PolarHBondContact O-N 2.87Å; S14-F17 VanDerWaalsContact O-N 3.16Å; S14-T18 PolarHBondContact O-N 3.18Å; S14-T18 PolarHBondContact O-OG1 3.28Å |
| 15 | D | 93.3 | Very high | 86.9 | Confident | 89 Ų | 89 | 110.7 Ų | 110.7 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | -179.5 | -69 | -16.1 | 0 | 0 | 0 | 111 | R11 V13 F17 T18 E19 | R11-D15 IonicContact NE-OD2 3.54Å; R11-D15 WeakPolarHBondContact O-CB 3.34Å; R11-D15 PolarHBondContact O-N 3.39Å; V13-D15 PolarHBondContact O-N 2.93Å; D15-F17 VanDerWaalsContact C-N 3.35Å; D15-F17 PolarHBondContact O-N 3.06Å; D15-T18 PolarHBondContact O-N 3.41Å; D15-E19 WeakPolarHBondContact O-CB 3.25Å; D15-E19 PolarHBondContact O-N 2.87Å |
| 16 | K | 91 | Very high | 85.9 | Confident | 137 Ų | 137 | 109.1 Ų | 109.1 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 175.4 | -83.2 | -155.1 | 171.6 | -162.3 | 0 | 113.3 | R12 V13 S14 S20 | R12-K16 PolarHBondContact O-N 3.5Å; V13-K16 PolarHBondContact O-N 3.4Å; S14-K16 PolarHBondContact O-N 3Å; K16-S20 WeakPolarHBondContact O-CB 3.44Å; K16-S20 PolarHBondContact O-N 2.98Å; K16-S20 PolarHBondContact O-OG 3.34Å |
| 17 | F | 90.3 | Very high | 85.1 | Confident | 138 Ų | 138 | 109.9 Ų | 109.9 | 61% | 0.605 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -44.8 | 178 | -177.4 | -98.5 | 0 | 0 | 0 | 111 | V13 S14 D15 S20 M21 | V13-F17 WeakPolarHBondContact O-CB 3.34Å; V13-F17 PolarHBondContact O-N 3.3Å; S14-F17 PolarHBondContact O-N 2.87Å; S14-F17 VanDerWaalsContact O-N 3.16Å; D15-F17 VanDerWaalsContact C-N 3.35Å; D15-F17 PolarHBondContact O-N 3.06Å; F17-S20 PolarHBondContact O-N 3.38Å; F17-M21 HydrophobicContact CD1-CG 4.41Å; F17-M21 HydrophobicContact CE1-CG 4Å; F17-M21 HydrophobicContact CZ-CG 4.09Å; F17-M21 WeakPolarHBondContact O-CG 3.48Å; F17-M21 PolarHBondContact O-N 3.4Å |
| 18 | T | 89.3 | Confident | 84.1 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | S14 D15 M21 Y22 | S14-T18 PolarHBondContact O-N 3.18Å; S14-T18 PolarHBondContact O-OG1 3.28Å; D15-T18 PolarHBondContact O-N 3.41Å; T18-M21 PolarHBondContact O-N 3.18Å; T18-Y22 PolarHBondContact O-N 3.4Å |
| 19 | E | 84 | Confident | 83.5 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 176.1 | -175.3 | 178.7 | -162.2 | 0 | 0 | 111.8 | D15 M21 Y22 V23 | D15-E19 WeakPolarHBondContact O-CB 3.25Å; D15-E19 PolarHBondContact O-N 2.87Å; E19-M21 VanDerWaalsContact C-N 3.33Å; E19-M21 PolarHBondContact O-N 3.03Å; E19-Y22 WeakPolarHBondContact O-CB 3.42Å; E19-Y22 PolarHBondContact O-N 2.89Å; E19-Y22 VanDerWaalsContact O-N 3.14Å; E19-V23 WeakPolarHBondContact O-CG2 3.47Å; E19-V23 PolarHBondContact O-N 3.47Å |
| 20 | S | 78.4 | Confident | 83 | Confident | 77 Ų | 77 | 102.5 Ų | 102.5 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 178.4 | -58 | 0 | 0 | 0 | 0 | 111.9 | K16 F17 Y22 V23 L24 | K16-S20 WeakPolarHBondContact O-CB 3.44Å; K16-S20 PolarHBondContact O-N 2.98Å; K16-S20 PolarHBondContact O-OG 3.34Å; F17-S20 PolarHBondContact O-N 3.38Å; S20-Y22 VanDerWaalsContact C-N 3.34Å; S20-V23 PolarHBondContact O-N 3.2Å; S20-L24 VanDerWaalsContact O-CB 3.26Å; S20-L24 WeakPolarHBondContact O-CB 3.4Å; S20-L24 PolarHBondContact O-N 3Å |
| 21 | M | 80.1 | Confident | 82.4 | Confident | 93 Ų | 93 | 101 Ų | 101 | 46% | 0.458 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 174.6 | -79 | -61.3 | -60.6 | 0 | 0 | 112.5 | F17 T18 E19 L24 A25 | F17-M21 HydrophobicContact CD1-CG 4.41Å; F17-M21 HydrophobicContact CE1-CG 4Å; F17-M21 HydrophobicContact CZ-CG 4.09Å; F17-M21 WeakPolarHBondContact O-CG 3.48Å; F17-M21 PolarHBondContact O-N 3.4Å; T18-M21 PolarHBondContact O-N 3.18Å; E19-M21 VanDerWaalsContact C-N 3.33Å; E19-M21 PolarHBondContact O-N 3.03Å; M21-L24 PolarHBondContact O-N 2.81Å; M21-L24 HydrophobicContact SD-CD2 4.3Å; M21-A25 VanDerWaalsContact O-CB 3.31Å; M21-A25 WeakPolarHBondContact O-CB 3.36Å; M21-A25 PolarHBondContact O-N 3.19Å |
| 22 | Y | 76.8 | Confident | 82.1 | Confident | 169 Ų | 169 | 98.6 Ų | 98.6 | 66% | 0.663 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 177.3 | -167.4 | -94.8 | 0 | 0 | 0 | 111.9 | T18 E19 S20 N26 | T18-Y22 PolarHBondContact O-N 3.4Å; E19-Y22 WeakPolarHBondContact O-CB 3.42Å; E19-Y22 PolarHBondContact O-N 2.89Å; E19-Y22 VanDerWaalsContact O-N 3.14Å; S20-Y22 VanDerWaalsContact C-N 3.34Å; Y22-N26 WeakPolarHBondContact CD1-ND2 3.49Å; Y22-N26 WeakPolarHBondContact CE1-ND2 3.45Å; Y22-N26 WeakPolarHBondContact CE2-ND2 3.3Å; Y22-N26 VanDerWaalsContact CZ-ND2 3.27Å; Y22-N26 WeakPolarHBondContact O-CB 3.12Å; Y22-N26 PolarHBondContact O-N 3.36Å; Y22-N26 PolarHBondContact O-ND2 2.89Å |
| 23 | V | 72.9 | Confident | 81.8 | Confident | 81 Ų | 81 | 96.5 Ų | 96.5 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 173.7 | 175 | 0 | 0 | 0 | 0 | 110.3 | E19 S20 A25 N26 E27 | E19-V23 WeakPolarHBondContact O-CG2 3.47Å; E19-V23 PolarHBondContact O-N 3.47Å; S20-V23 PolarHBondContact O-N 3.2Å; V23-A25 VanDerWaalsContact C-N 3.34Å; V23-A25 PolarHBondContact O-N 2.99Å; V23-N26 PolarHBondContact O-N 2.91Å; V23-E27 HydrophobicContact CG1-CG 3.98Å; V23-E27 WeakPolarHBondContact O-CB 3.24Å; V23-E27 PolarHBondContact O-N 3.35Å |
| 24 | L | 69.8 | Low | 81.5 | Confident | 116 Ų | 116 | 99.7 Ų | 99.7 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -33.3 | -178.9 | -174.2 | 65.9 | 0 | 0 | 0 | 113.3 | S20 M21 P28 | S20-L24 VanDerWaalsContact O-CB 3.26Å; S20-L24 WeakPolarHBondContact O-CB 3.4Å; S20-L24 PolarHBondContact O-N 3Å; M21-L24 PolarHBondContact O-N 2.81Å; M21-L24 HydrophobicContact SD-CD2 4.3Å; L24-P28 WeakPolarHBondContact O-CD 3.34Å; L24-P28 WeakPolarHBondContact O-CG 3.48Å |
| 25 | A | 69.9 | Low | 81.5 | Confident | 55 Ų | 55 | 101.7 Ų | 101.7 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -79.6 | -32.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | M21 V23 S29 | M21-A25 VanDerWaalsContact O-CB 3.31Å; M21-A25 WeakPolarHBondContact O-CB 3.36Å; M21-A25 PolarHBondContact O-N 3.19Å; V23-A25 VanDerWaalsContact C-N 3.34Å; V23-A25 PolarHBondContact O-N 2.99Å; A25-S29 PolarHBondContact O-OG 3.5Å |
| 26 | N | 69.8 | Low | 81.6 | Confident | 63 Ų | 63 | 103.8 Ų | 103.8 | 34% | 0.337 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -94.7 | -40.7 | -171.8 | -68.8 | -52.5 | 0 | 0 | 0 | 113.3 | Y22 V23 S29 V30 | Y22-N26 WeakPolarHBondContact CD1-ND2 3.49Å; Y22-N26 WeakPolarHBondContact CE1-ND2 3.45Å; Y22-N26 WeakPolarHBondContact CE2-ND2 3.3Å; Y22-N26 VanDerWaalsContact CZ-ND2 3.27Å; Y22-N26 WeakPolarHBondContact O-CB 3.12Å; Y22-N26 PolarHBondContact O-N 3.36Å; Y22-N26 PolarHBondContact O-ND2 2.89Å; V23-N26 PolarHBondContact O-N 2.91Å; N26-S29 PolarHBondContact O-N 3.45Å; N26-V30 WeakPolarHBondContact O-CB 3.49Å; N26-V30 VanDerWaalsContact O-CG2 3.27Å; N26-V30 WeakPolarHBondContact O-CG2 3.45Å; N26-V30 PolarHBondContact O-N 3.29Å |
| 27 | E | 73.9 | Confident | 81.9 | Confident | 119 Ų | 119 | 98.9 Ų | 98.9 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -44.1 | -176.8 | -72.3 | -63.5 | 137.4 | 0 | 0 | 113.4 | V23 S29 V30 A31 | V23-E27 HydrophobicContact CG1-CG 3.98Å; V23-E27 WeakPolarHBondContact O-CB 3.24Å; V23-E27 PolarHBondContact O-N 3.35Å; E27-S29 VanDerWaalsContact C-N 3.34Å; E27-S29 PolarHBondContact O-N 3Å; E27-V30 PolarHBondContact O-N 3.48Å; E27-A31 WeakPolarHBondContact O-CB 3.49Å; E27-A31 PolarHBondContact O-N 3.34Å |
| 28 | P | 71.6 | Confident | 82.2 | Confident | 62 Ų | 62 | 98.2 Ų | 98.2 | 40% | 0.403 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 174.2 | -23.6 | 36.9 | 0 | 0 | 0 | 112.7 | L24 A31 L32 | L24-P28 WeakPolarHBondContact O-CD 3.34Å; L24-P28 WeakPolarHBondContact O-CG 3.48Å; P28-A31 PolarHBondContact O-N 3.46Å; P28-L32 WeakPolarHBondContact O-CB 3.49Å; P28-L32 VanDerWaalsContact O-CG 3.3Å; P28-L32 WeakPolarHBondContact O-CG 3.34Å; P28-L32 PolarHBondContact O-N 2.82Å |
| 29 | S | 81 | Confident | 82.6 | Confident | 72 Ų | 72 | 97.6 Ų | 97.6 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 178.2 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | A25 N26 E27 L32 Y33 | A25-S29 PolarHBondContact O-OG 3.5Å; N26-S29 PolarHBondContact O-N 3.45Å; E27-S29 VanDerWaalsContact C-N 3.34Å; E27-S29 PolarHBondContact O-N 3Å; S29-L32 PolarHBondContact O-N 3.44Å; S29-Y33 WeakPolarHBondContact O-CB 3.46Å; S29-Y33 PolarHBondContact O-N 2.94Å |
| 30 | V | 82.9 | Confident | 83.2 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | N26 E27 Y33 R34 | N26-V30 WeakPolarHBondContact O-CB 3.49Å; N26-V30 VanDerWaalsContact O-CG2 3.27Å; N26-V30 WeakPolarHBondContact O-CG2 3.45Å; N26-V30 PolarHBondContact O-N 3.29Å; E27-V30 PolarHBondContact O-N 3.48Å; V30-Y33 PolarHBondContact O-N 2.99Å; V30-R34 WeakPolarHBondContact O-CG 3.39Å; V30-R34 PolarHBondContact O-N 2.95Å |
| 31 | A | 82.2 | Confident | 84.1 | Confident | 48 Ų | 48 | 102 Ų | 102 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E27 P28 Y33 R34 L35 | E27-A31 WeakPolarHBondContact O-CB 3.49Å; E27-A31 PolarHBondContact O-N 3.34Å; P28-A31 PolarHBondContact O-N 3.46Å; A31-Y33 PolarHBondContact O-N 2.97Å; A31-R34 PolarHBondContact O-N 3.34Å; A31-L35 WeakPolarHBondContact O-CG 3.39Å; A31-L35 PolarHBondContact O-N 3.3Å |
| 32 | L | 85.3 | Confident | 84.9 | Confident | 114 Ų | 114 | 99.6 Ų | 99.6 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 175.6 | -71.9 | 172.8 | 0 | 0 | 0 | 112.2 | P28 S29 R34 L35 Q36 | P28-L32 WeakPolarHBondContact O-CB 3.49Å; P28-L32 VanDerWaalsContact O-CG 3.3Å; P28-L32 WeakPolarHBondContact O-CG 3.34Å; P28-L32 PolarHBondContact O-N 2.82Å; S29-L32 PolarHBondContact O-N 3.44Å; L32-R34 PolarHBondContact O-N 2.97Å; L32-L35 PolarHBondContact O-N 3.4Å; L32-Q36 WeakPolarHBondContact O-CB 3.48Å; L32-Q36 PolarHBondContact O-N 2.95Å |
| 33 | Y | 88.4 | Confident | 86 | Confident | 143 Ų | 143 | 95.8 Ų | 95.8 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 174.8 | 176.2 | -101.4 | 0 | 0 | 0 | 112.2 | S29 V30 A31 L35 Q36 E37 | S29-Y33 WeakPolarHBondContact O-CB 3.46Å; S29-Y33 PolarHBondContact O-N 2.94Å; V30-Y33 PolarHBondContact O-N 2.99Å; A31-Y33 PolarHBondContact O-N 2.97Å; Y33-L35 VanDerWaalsContact C-N 3.34Å; Y33-L35 PolarHBondContact O-N 3.38Å; Y33-Q36 PolarHBondContact O-N 2.91Å; Y33-E37 VanDerWaalsContact O-CB 3.29Å; Y33-E37 WeakPolarHBondContact O-CB 3.4Å; Y33-E37 PolarHBondContact O-N 2.97Å |
| 34 | R | 88.9 | Confident | 87.2 | Confident | 173 Ų | 173 | 95.7 Ų | 95.7 | 65% | 0.653 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 176.2 | -72.2 | 174.9 | 179.8 | 165.5 | 3.3 | 112 | V30 A31 L32 H38 | V30-R34 WeakPolarHBondContact O-CG 3.39Å; V30-R34 PolarHBondContact O-N 2.95Å; A31-R34 PolarHBondContact O-N 3.34Å; L32-R34 PolarHBondContact O-N 2.97Å; R34-H38 WeakPolarHBondContact O-CB 3.26Å; R34-H38 PolarHBondContact O-N 3.47Å |
| 35 | L | 92.4 | Very high | 88.5 | Confident | 108 Ų | 108 | 96.6 Ų | 96.6 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.6 | -48.3 | 174.6 | -73.4 | 171.3 | 0 | 0 | 0 | 111.5 | A31 L32 Y33 E37 H38 V39 | A31-L35 WeakPolarHBondContact O-CG 3.39Å; A31-L35 PolarHBondContact O-N 3.3Å; L32-L35 PolarHBondContact O-N 3.4Å; Y33-L35 VanDerWaalsContact C-N 3.34Å; Y33-L35 PolarHBondContact O-N 3.38Å; L35-E37 VanDerWaalsContact C-N 3.31Å; L35-E37 PolarHBondContact O-N 3.36Å; L35-H38 PolarHBondContact O-N 3Å; L35-V39 WeakPolarHBondContact O-CG2 3.43Å; L35-V39 PolarHBondContact O-N 2.89Å |
| 36 | Q | 95.1 | Very high | 89.9 | Confident | 132 Ų | 132 | 99.5 Ų | 99.5 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58 | -45.8 | 177.3 | 180 | -176.8 | -17 | 0 | 0 | 111 | L32 Y33 V39 R40 | L32-Q36 WeakPolarHBondContact O-CB 3.48Å; L32-Q36 PolarHBondContact O-N 2.95Å; Y33-Q36 PolarHBondContact O-N 2.91Å; Q36-V39 PolarHBondContact O-N 3.21Å; Q36-R40 VanDerWaalsContact O-CB 3.27Å; Q36-R40 WeakPolarHBondContact O-CB 3.48Å; Q36-R40 PolarHBondContact O-N 2.81Å |
| 37 | E | 96.2 | Very high | 91.2 | Very high | 35 Ų | 35 | 100.3 Ų | 100.3 | 16% | 0.164 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -67.3 | -37.9 | -179.4 | -174.5 | 63 | -172 | 0 | 0 | 111.9 | Y33 L35 R40 R41 | Y33-E37 VanDerWaalsContact O-CB 3.29Å; Y33-E37 WeakPolarHBondContact O-CB 3.4Å; Y33-E37 PolarHBondContact O-N 2.97Å; L35-E37 VanDerWaalsContact C-N 3.31Å; L35-E37 PolarHBondContact O-N 3.36Å; E37-R40 PolarHBondContact O-N 3.39Å; E37-R40 IonicContact OE1-CZ 3.39Å; E37-R40 IonicContact OE1-NE 3.8Å; E37-R40 IonicContact OE1-NH2 2.82Å; E37-R40 PolarHBondContact OE1-NH2 3.35Å; E37-R40 IonicContact OE2-CZ 3.6Å; E37-R40 IonicContact OE2-NE 3.68Å; E37-R40 PolarHBondContact OE2-NE 3.4Å; E37-R40 IonicContact OE2-NH2 2.7Å; E37-R40 PolarHBondContact OE2-NH2 3.17Å; E37-R41 WeakPolarHBondContact O-CB 3.37Å; E37-R41 VanDerWaalsContact O-CG 3.29Å; E37-R41 WeakPolarHBondContact O-CG 3.49Å; E37-R41 PolarHBondContact O-N 2.97Å; E37-R41 IonicContact OE1-CZ 3.27Å; E37-R41 VanDerWaalsContact OE1-CZ 3.27Å; E37-R41 IonicContact OE1-NE 2.8Å; E37-R41 PolarHBondContact OE1-NE 3.35Å; E37-R41 IonicContact OE1-NH2 2.86Å; E37-R41 PolarHBondContact OE1-NH2 2.86Å |
| 38 | H | 96.6 | Very high | 92.4 | Very high | 124 Ų | 124 | 99.5 Ų | 99.5 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -51.5 | 172.4 | 176.9 | 76.8 | 0 | 0 | 0 | 111.3 | R34 L35 R40 R41 S42 | R34-H38 WeakPolarHBondContact O-CB 3.26Å; R34-H38 PolarHBondContact O-N 3.47Å; L35-H38 PolarHBondContact O-N 3Å; H38-R40 VanDerWaalsContact C-N 3.31Å; H38-R40 PolarHBondContact O-N 3.43Å; H38-R41 PolarHBondContact O-N 3.49Å; H38-R41 VanDerWaalsContact O-N 3.15Å; H38-S42 PolarHBondContact O-N 3.44Å; H38-S42 PolarHBondContact O-OG 3.43Å |
| 39 | V | 97.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 102.3 Ų | 102.3 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L35 Q36 R41 S42 L43 | L35-V39 WeakPolarHBondContact O-CG2 3.43Å; L35-V39 PolarHBondContact O-N 2.89Å; Q36-V39 PolarHBondContact O-N 3.21Å; V39-R41 VanDerWaalsContact C-N 3.26Å; V39-R41 PolarHBondContact O-N 2.88Å; V39-S42 PolarHBondContact O-N 3.07Å; V39-L43 WeakPolarHBondContact O-CB 3.36Å; V39-L43 PolarHBondContact O-N 3.36Å |
| 40 | R | 97.4 | Very high | 94.5 | Very high | 138 Ų | 138 | 105.1 Ų | 105.1 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -35 | 179.4 | -168 | -166.2 | 66.5 | 71 | -2.3 | 112.4 | Q36 E37 H38 P44 | Q36-R40 VanDerWaalsContact O-CB 3.27Å; Q36-R40 WeakPolarHBondContact O-CB 3.48Å; Q36-R40 PolarHBondContact O-N 2.81Å; E37-R40 PolarHBondContact O-N 3.39Å; E37-R40 IonicContact OE1-CZ 3.39Å; E37-R40 IonicContact OE1-NE 3.8Å; E37-R40 IonicContact OE1-NH2 2.82Å; E37-R40 PolarHBondContact OE1-NH2 3.35Å; E37-R40 IonicContact OE2-CZ 3.6Å; E37-R40 IonicContact OE2-NE 3.68Å; E37-R40 PolarHBondContact OE2-NE 3.4Å; E37-R40 IonicContact OE2-NH2 2.7Å; E37-R40 PolarHBondContact OE2-NH2 3.17Å; H38-R40 VanDerWaalsContact C-N 3.31Å; H38-R40 PolarHBondContact O-N 3.43Å; R40-P44 WeakPolarHBondContact O-CD 3.3Å; R40-P44 WeakPolarHBondContact O-CG 3.3Å |
| 41 | R | 97.1 | Very high | 95.3 | Very high | 162 Ų | 162 | 105.7 Ų | 105.7 | 61% | 0.611 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -81.8 | -41.4 | 179.4 | -70.9 | 179.7 | -172.4 | -152.5 | 3.2 | 113 | E37 H38 V39 | E37-R41 WeakPolarHBondContact O-CB 3.37Å; E37-R41 VanDerWaalsContact O-CG 3.29Å; E37-R41 WeakPolarHBondContact O-CG 3.49Å; E37-R41 PolarHBondContact O-N 2.97Å; E37-R41 IonicContact OE1-CZ 3.27Å; E37-R41 VanDerWaalsContact OE1-CZ 3.27Å; E37-R41 IonicContact OE1-NE 2.8Å; E37-R41 PolarHBondContact OE1-NE 3.35Å; E37-R41 IonicContact OE1-NH2 2.86Å; E37-R41 PolarHBondContact OE1-NH2 2.86Å; H38-R41 PolarHBondContact O-N 3.49Å; H38-R41 VanDerWaalsContact O-N 3.15Å; V39-R41 VanDerWaalsContact C-N 3.26Å; V39-R41 PolarHBondContact O-N 2.88Å |
| 42 | S | 97.8 | Very high | 96 | Very high | 43 Ų | 43 | 106.2 Ų | 106.2 | 30% | 0.301 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -84.3 | -29.2 | -174.4 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | H38 V39 E45 L46 | H38-S42 PolarHBondContact O-N 3.44Å; H38-S42 PolarHBondContact O-OG 3.43Å; V39-S42 PolarHBondContact O-N 3.07Å; S42-E45 PolarHBondContact O-N 3.29Å; S42-L46 WeakPolarHBondContact O-CB 3.19Å; S42-L46 PolarHBondContact O-N 3.14Å |
| 43 | L | 98.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 107.4 Ų | 107.4 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | -176.1 | -174.4 | 64.4 | 0 | 0 | 0 | 113.7 | V39 E45 L46 V47 | V39-L43 WeakPolarHBondContact O-CB 3.36Å; V39-L43 PolarHBondContact O-N 3.36Å; L43-E45 PolarHBondContact O-N 3.14Å; L43-L46 PolarHBondContact O-N 3.48Å; L43-V47 HydrophobicContact CD1-CG2 4.32Å; L43-V47 HydrophobicContact CG-CG2 4.43Å; L43-V47 VanDerWaalsContact O-CG2 3.32Å; L43-V47 WeakPolarHBondContact O-CG2 3.32Å; L43-V47 PolarHBondContact O-N 2.93Å |
| 44 | P | 98.1 | Very high | 97.1 | Very high | 80 Ų | 80 | 105 Ų | 105 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 177 | -24.3 | 35.2 | 0 | 0 | 0 | 113.1 | R40 V47 Q48 | R40-P44 WeakPolarHBondContact O-CD 3.3Å; R40-P44 WeakPolarHBondContact O-CG 3.3Å; P44-V47 PolarHBondContact O-N 3.45Å; P44-Q48 PolarHBondContact O-N 3Å |
| 45 | E | 97.9 | Very high | 97.6 | Very high | 135 Ų | 135 | 99.6 Ų | 99.6 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 177 | -66.1 | 179.2 | 177.2 | 0 | 0 | 111.3 | S42 L43 V47 Q48 H49 | S42-E45 PolarHBondContact O-N 3.29Å; L43-E45 PolarHBondContact O-N 3.14Å; E45-V47 VanDerWaalsContact C-N 3.34Å; E45-V47 PolarHBondContact O-N 3.01Å; E45-Q48 PolarHBondContact O-N 2.92Å; E45-H49 PolarHBondContact O-N 3.34Å |
| 46 | L | 98.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 102.5 Ų | 102.5 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -41.2 | 176.9 | -178.1 | 62.1 | 0 | 0 | 0 | 112.2 | S42 L43 K50 | S42-L46 WeakPolarHBondContact O-CB 3.19Å; S42-L46 PolarHBondContact O-N 3.14Å; L43-L46 PolarHBondContact O-N 3.48Å; L46-K50 WeakPolarHBondContact O-CB 3.25Å; L46-K50 PolarHBondContact O-N 3.44Å |
| 47 | V | 98.6 | Very high | 98 | Very high | 79 Ų | 79 | 101.6 Ų | 101.6 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 176 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | L43 P44 E45 K50 T51 | L43-V47 HydrophobicContact CD1-CG2 4.32Å; L43-V47 HydrophobicContact CG-CG2 4.43Å; L43-V47 VanDerWaalsContact O-CG2 3.32Å; L43-V47 WeakPolarHBondContact O-CG2 3.32Å; L43-V47 PolarHBondContact O-N 2.93Å; P44-V47 PolarHBondContact O-N 3.45Å; E45-V47 VanDerWaalsContact C-N 3.34Å; E45-V47 PolarHBondContact O-N 3.01Å; V47-K50 WeakPolarHBondContact O-CB 3.41Å; V47-K50 PolarHBondContact O-N 3.31Å; V47-T51 PolarHBondContact O-N 2.87Å; V47-T51 PolarHBondContact O-OG1 3.24Å |
| 48 | Q | 98.4 | Very high | 98.1 | Very high | 103 Ų | 103 | 106.8 Ų | 106.8 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 177.9 | -174.7 | 61 | 47.4 | 0 | 0 | 111.4 | P44 E45 K50 T51 D52 | P44-Q48 PolarHBondContact O-N 3Å; E45-Q48 PolarHBondContact O-N 2.92Å; Q48-K50 VanDerWaalsContact C-N 3.27Å; Q48-K50 PolarHBondContact O-N 3.43Å; Q48-T51 PolarHBondContact O-N 3.49Å; Q48-T51 VanDerWaalsContact O-N 3.11Å; Q48-D52 PolarHBondContact NE2-OD1 3.47Å; Q48-D52 VanDerWaalsContact O-CG 3.24Å; Q48-D52 PolarHBondContact O-N 2.84Å |
| 49 | H | 98.4 | Very high | 98.2 | Very high | 121 Ų | 121 | 107 Ų | 107 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.7 | -40.3 | 177.8 | -77.2 | -163.2 | 0 | 0 | 0 | 112.1 | E45 D52 M53 | E45-H49 PolarHBondContact O-N 3.34Å; H49-D52 PolarHBondContact O-N 3.48Å; H49-M53 WeakPolarHBondContact O-CB 3.37Å; H49-M53 VanDerWaalsContact O-CG 3.25Å; H49-M53 WeakPolarHBondContact O-CG 3.41Å; H49-M53 PolarHBondContact O-N 3.46Å |
| 50 | K | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 106.3 Ų | 106.3 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 175.9 | -178.6 | 179.3 | 177.9 | 178.2 | 0 | 111.4 | L46 V47 Q48 M53 Q54 | L46-K50 WeakPolarHBondContact O-CB 3.25Å; L46-K50 PolarHBondContact O-N 3.44Å; V47-K50 WeakPolarHBondContact O-CB 3.41Å; V47-K50 PolarHBondContact O-N 3.31Å; Q48-K50 VanDerWaalsContact C-N 3.27Å; Q48-K50 PolarHBondContact O-N 3.43Å; K50-M53 PolarHBondContact O-N 3.27Å; K50-Q54 WeakPolarHBondContact O-CG 3.45Å; K50-Q54 PolarHBondContact O-N 3.45Å |
| 51 | T | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 105.2 Ų | 105.2 | 42% | 0.423 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 177.5 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | V47 Q48 M53 Q54 S55 | V47-T51 PolarHBondContact O-N 2.87Å; V47-T51 PolarHBondContact O-OG1 3.24Å; Q48-T51 PolarHBondContact O-N 3.49Å; Q48-T51 VanDerWaalsContact O-N 3.11Å; T51-M53 PolarHBondContact O-N 2.98Å; T51-Q54 PolarHBondContact O-N 3.27Å; T51-S55 PolarHBondContact O-N 3.41Å |
| 52 | D | 98.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 32% | 0.316 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 176.4 | -64.2 | -20.9 | 0 | 0 | 0 | 110 | Q48 H49 Q54 S55 W56 | Q48-D52 PolarHBondContact NE2-OD1 3.47Å; Q48-D52 VanDerWaalsContact O-CG 3.24Å; Q48-D52 PolarHBondContact O-N 2.84Å; H49-D52 PolarHBondContact O-N 3.48Å; D52-Q54 VanDerWaalsContact C-N 3.29Å; D52-Q54 PolarHBondContact O-N 2.9Å; D52-S55 PolarHBondContact O-N 3.34Å; D52-S55 PolarHBondContact O-OG 3Å; D52-W56 PolarHBondContact O-N 2.98Å |
| 53 | M | 98.5 | Very high | 98.3 | Very high | 138 Ų | 138 | 99.8 Ų | 99.8 | 68% | 0.68 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.9 | -40.8 | 177.5 | -74.9 | -178.4 | 71.2 | 0 | 0 | 112.7 | H49 K50 T51 W56 E57 | H49-M53 WeakPolarHBondContact O-CB 3.37Å; H49-M53 VanDerWaalsContact O-CG 3.25Å; H49-M53 WeakPolarHBondContact O-CG 3.41Å; H49-M53 PolarHBondContact O-N 3.46Å; K50-M53 PolarHBondContact O-N 3.27Å; T51-M53 PolarHBondContact O-N 2.98Å; M53-W56 PolarHBondContact O-N 2.9Å; M53-E57 WeakPolarHBondContact O-CB 3.35Å; M53-E57 PolarHBondContact O-N 3.31Å |
| 54 | Q | 98.5 | Very high | 98.3 | Very high | 92 Ų | 92 | 99.8 Ų | 99.8 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.3 | -74.1 | 178.7 | -33.5 | 0 | 0 | 111.8 | K50 T51 D52 W56 E57 E58 | K50-Q54 WeakPolarHBondContact O-CG 3.45Å; K50-Q54 PolarHBondContact O-N 3.45Å; T51-Q54 PolarHBondContact O-N 3.27Å; D52-Q54 VanDerWaalsContact C-N 3.29Å; D52-Q54 PolarHBondContact O-N 2.9Å; Q54-W56 VanDerWaalsContact C-N 3.34Å; Q54-W56 PolarHBondContact O-N 2.87Å; Q54-E57 PolarHBondContact O-N 2.85Å; Q54-E58 WeakPolarHBondContact O-CG 3.48Å; Q54-E58 PolarHBondContact O-N 2.98Å |
| 55 | S | 98.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 103.6 Ų | 103.6 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 177.3 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | T51 D52 E57 E58 Q59 | T51-S55 PolarHBondContact O-N 3.41Å; D52-S55 PolarHBondContact O-N 3.34Å; D52-S55 PolarHBondContact O-OG 3Å; S55-E57 VanDerWaalsContact C-N 3.35Å; S55-E58 PolarHBondContact O-N 3.24Å; S55-Q59 WeakPolarHBondContact O-CB 3.49Å; S55-Q59 PolarHBondContact O-N 3.19Å |
| 56 | W | 98.1 | Very high | 98.4 | Very high | 170 Ų | 170 | 101.5 Ų | 101.5 | 64% | 0.644 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | 175 | -75.5 | 112.5 | 0 | 0 | 0 | 111.9 | D52 M53 Q54 S60 | D52-W56 PolarHBondContact O-N 2.98Å; M53-W56 PolarHBondContact O-N 2.9Å; Q54-W56 VanDerWaalsContact C-N 3.34Å; Q54-W56 PolarHBondContact O-N 2.87Å; W56-S60 WeakPolarHBondContact O-CB 3.37Å; W56-S60 PolarHBondContact O-N 3.15Å |
| 57 | E | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -49.7 | 176.8 | -177.5 | 176.2 | -167.5 | 0 | 0 | 111.3 | M53 Q54 S55 Q59 S60 Q61 | M53-E57 WeakPolarHBondContact O-CB 3.35Å; M53-E57 PolarHBondContact O-N 3.31Å; Q54-E57 PolarHBondContact O-N 2.85Å; S55-E57 VanDerWaalsContact C-N 3.35Å; E57-Q59 PolarHBondContact O-N 2.79Å; E57-S60 PolarHBondContact O-N 3.33Å; E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 3.49Å; E57-Q61 PolarHBondContact OE1-NE2 3.43Å |
| 58 | E | 98.1 | Very high | 98.4 | Very high | 144 Ų | 144 | 102.3 Ų | 102.3 | 67% | 0.673 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.6 | -45.4 | 178.1 | -72.4 | 177.5 | -173.5 | 0 | 0 | 111.8 | Q54 S55 S60 Q61 G62 | Q54-E58 WeakPolarHBondContact O-CG 3.48Å; Q54-E58 PolarHBondContact O-N 2.98Å; S55-E58 PolarHBondContact O-N 3.24Å; E58-S60 PolarHBondContact O-N 3Å; E58-Q61 PolarHBondContact O-N 3.32Å; E58-G62 PolarHBondContact O-N 3.08Å |
| 59 | Q | 98.4 | Very high | 98.4 | Very high | 128 Ų | 128 | 105.1 Ų | 105.1 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 177.3 | -174.9 | 179 | 57.9 | 0 | 0 | 111.8 | S55 E57 G62 A63 | S55-Q59 WeakPolarHBondContact O-CB 3.49Å; S55-Q59 PolarHBondContact O-N 3.19Å; E57-Q59 PolarHBondContact O-N 2.79Å; Q59-G62 PolarHBondContact O-N 3.47Å; Q59-A63 PolarHBondContact O-N 2.92Å |
| 60 | S | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 101.8 Ų | 101.8 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | W56 E57 E58 G62 A63 I64 | W56-S60 WeakPolarHBondContact O-CB 3.37Å; W56-S60 PolarHBondContact O-N 3.15Å; E57-S60 PolarHBondContact O-N 3.33Å; E58-S60 PolarHBondContact O-N 3Å; S60-G62 PolarHBondContact O-N 2.97Å; S60-A63 PolarHBondContact O-N 2.86Å; S60-I64 VanDerWaalsContact O-CG1 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.2Å; S60-I64 PolarHBondContact O-N 2.91Å |
| 61 | Q | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177 | -70.7 | -179.3 | 15.2 | 0 | 0 | 112.1 | E57 E58 A63 I64 Y65 | E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 3.49Å; E57-Q61 PolarHBondContact OE1-NE2 3.43Å; E58-Q61 PolarHBondContact O-N 3.32Å; Q61-A63 VanDerWaalsContact C-N 3.35Å; Q61-A63 PolarHBondContact O-N 3.48Å; Q61-I64 PolarHBondContact O-N 3.25Å; Q61-Y65 PolarHBondContact O-N 3.03Å |
| 62 | G | 98.1 | Very high | 98.4 | Very high | 38 Ų | 38 | 99.9 Ų | 99.9 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E58 Q59 S60 T66 | E58-G62 PolarHBondContact O-N 3.08Å; Q59-G62 PolarHBondContact O-N 3.47Å; S60-G62 PolarHBondContact O-N 2.97Å; G62-T66 PolarHBondContact O-N 3.41Å; G62-T66 VanDerWaalsContact O-N 3.08Å; G62-T66 PolarHBondContact O-OG1 3.3Å |
| 63 | A | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 99.1 Ų | 99.1 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q59 S60 Q61 T66 V67 | Q59-A63 PolarHBondContact O-N 2.92Å; S60-A63 PolarHBondContact O-N 2.86Å; Q61-A63 VanDerWaalsContact C-N 3.35Å; Q61-A63 PolarHBondContact O-N 3.48Å; A63-T66 PolarHBondContact O-N 2.93Å; A63-V67 WeakPolarHBondContact O-CG2 3.32Å; A63-V67 PolarHBondContact O-N 3.49Å |
| 64 | I | 98.4 | Very high | 98.4 | Very high | 88 Ų | 88 | 96.9 Ų | 96.9 | 45% | 0.451 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.1 | -50.6 | 175.5 | -70.1 | 164.9 | 0 | 0 | 0 | 110.2 | S60 Q61 T66 V67 E68 | S60-I64 VanDerWaalsContact O-CG1 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.2Å; S60-I64 PolarHBondContact O-N 2.91Å; Q61-I64 PolarHBondContact O-N 3.25Å; I64-T66 VanDerWaalsContact C-N 3.3Å; I64-T66 PolarHBondContact O-N 2.96Å; I64-V67 PolarHBondContact O-N 2.91Å; I64-V67 VanDerWaalsContact O-N 3.15Å; I64-E68 HydrophobicContact CG2-CG 4.19Å; I64-E68 WeakPolarHBondContact O-CB 3.29Å; I64-E68 WeakPolarHBondContact O-CG 3.48Å; I64-E68 PolarHBondContact O-N 3.46Å |
| 65 | Y | 98.5 | Very high | 98.4 | Very high | 161 Ų | 161 | 99 Ų | 99 | 63% | 0.631 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.7 | -42.2 | 180 | -177.4 | -97.4 | 0 | 0 | 0 | 112.3 | Q61 V67 E68 Y69 | Q61-Y65 PolarHBondContact O-N 3.03Å; Y65-V67 PolarHBondContact O-N 3.24Å; Y65-E68 PolarHBondContact O-N 2.67Å; Y65-Y69 VanDerWaalsContact O-CB 3.3Å; Y65-Y69 WeakPolarHBondContact O-CB 3.4Å; Y65-Y69 PolarHBondContact O-N 2.93Å |
| 66 | T | 98.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 99.5 Ų | 99.5 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | G62 A63 I64 Y69 A70 | G62-T66 PolarHBondContact O-N 3.41Å; G62-T66 VanDerWaalsContact O-N 3.08Å; G62-T66 PolarHBondContact O-OG1 3.3Å; A63-T66 PolarHBondContact O-N 2.93Å; I64-T66 VanDerWaalsContact C-N 3.3Å; I64-T66 PolarHBondContact O-N 2.96Å; T66-Y69 PolarHBondContact O-N 3.01Å; T66-A70 WeakPolarHBondContact O-CB 3.29Å; T66-A70 PolarHBondContact O-N 3.42Å |
| 67 | V | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 97.2 Ų | 97.2 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.9 | -44.2 | 178.3 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | A63 I64 Y65 Y69 A70 C71 | A63-V67 WeakPolarHBondContact O-CG2 3.32Å; A63-V67 PolarHBondContact O-N 3.49Å; I64-V67 PolarHBondContact O-N 2.91Å; I64-V67 VanDerWaalsContact O-N 3.15Å; Y65-V67 PolarHBondContact O-N 3.24Å; V67-Y69 VanDerWaalsContact C-N 3.31Å; V67-Y69 PolarHBondContact O-N 3.44Å; V67-A70 PolarHBondContact O-N 2.83Å; V67-C71 VanDerWaalsContact O-CB 3.26Å; V67-C71 WeakPolarHBondContact O-CB 3.27Å; V67-C71 PolarHBondContact O-N 3Å |
| 68 | E | 98.3 | Very high | 98.3 | Very high | 114 Ų | 114 | 95.9 Ų | 95.9 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 177.3 | -73.7 | -176.6 | 155.4 | 0 | 0 | 111.8 | I64 Y65 C71 S72 | I64-E68 HydrophobicContact CG2-CG 4.19Å; I64-E68 WeakPolarHBondContact O-CB 3.29Å; I64-E68 WeakPolarHBondContact O-CG 3.48Å; I64-E68 PolarHBondContact O-N 3.46Å; Y65-E68 PolarHBondContact O-N 2.67Å; E68-C71 PolarHBondContact O-N 3.23Å; E68-S72 VanDerWaalsContact O-CB 3.32Å; E68-S72 WeakPolarHBondContact O-CB 3.38Å; E68-S72 PolarHBondContact O-N 3.42Å; E68-S72 PolarHBondContact O-OG 3.07Å |
| 69 | Y | 98.5 | Very high | 98.2 | Very high | 162 Ų | 162 | 94.5 Ų | 94.5 | 64% | 0.635 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -49.1 | 174.9 | -179.5 | -103.9 | 0 | 0 | 0 | 111.6 | Y65 T66 V67 C71 S72 A73 | Y65-Y69 VanDerWaalsContact O-CB 3.3Å; Y65-Y69 WeakPolarHBondContact O-CB 3.4Å; Y65-Y69 PolarHBondContact O-N 2.93Å; T66-Y69 PolarHBondContact O-N 3.01Å; V67-Y69 VanDerWaalsContact C-N 3.31Å; V67-Y69 PolarHBondContact O-N 3.44Å; Y69-C71 PolarHBondContact O-N 3.3Å; Y69-S72 PolarHBondContact O-N 2.9Å; Y69-A73 PolarHBondContact O-N 3.3Å |
| 70 | A | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 90 Ų | 90 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T66 V67 S72 A73 V74 | T66-A70 WeakPolarHBondContact O-CB 3.29Å; T66-A70 PolarHBondContact O-N 3.42Å; V67-A70 PolarHBondContact O-N 2.83Å; A70-S72 VanDerWaalsContact C-N 3.34Å; A70-S72 PolarHBondContact O-N 2.99Å; A70-A73 PolarHBondContact O-N 3.4Å; A70-V74 WeakPolarHBondContact O-CG2 3.47Å; A70-V74 PolarHBondContact O-N 3.5Å |
| 71 | C | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 89.2 Ų | 89.2 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | V67 E68 Y69 A73 V74 K75 | V67-C71 VanDerWaalsContact O-CB 3.26Å; V67-C71 WeakPolarHBondContact O-CB 3.27Å; V67-C71 PolarHBondContact O-N 3Å; E68-C71 PolarHBondContact O-N 3.23Å; Y69-C71 PolarHBondContact O-N 3.3Å; C71-A73 PolarHBondContact O-N 3.39Å; C71-V74 PolarHBondContact O-N 3Å; C71-K75 WeakPolarHBondContact O-CB 3.46Å; C71-K75 PolarHBondContact O-N 3.46Å |
| 72 | S | 98.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 87.9 Ų | 87.9 | 54% | 0.538 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.8 | -62.1 | 0 | 0 | 0 | 0 | 112 | E68 Y69 A70 K75 S76 | E68-S72 VanDerWaalsContact O-CB 3.32Å; E68-S72 WeakPolarHBondContact O-CB 3.38Å; E68-S72 PolarHBondContact O-N 3.42Å; E68-S72 PolarHBondContact O-OG 3.07Å; Y69-S72 PolarHBondContact O-N 2.9Å; A70-S72 VanDerWaalsContact C-N 3.34Å; A70-S72 PolarHBondContact O-N 2.99Å; S72-K75 PolarHBondContact O-N 3.29Å; S72-S76 WeakPolarHBondContact O-CB 3.47Å; S72-S76 PolarHBondContact O-N 3.27Å |
| 73 | A | 98.3 | Very high | 98.1 | Very high | 44 Ų | 44 | 93.5 Ų | 93.5 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y69 A70 C71 K75 S76 M77 | Y69-A73 PolarHBondContact O-N 3.3Å; A70-A73 PolarHBondContact O-N 3.4Å; C71-A73 PolarHBondContact O-N 3.39Å; A73-K75 VanDerWaalsContact C-N 3.32Å; A73-K75 PolarHBondContact O-N 2.92Å; A73-S76 WeakPolarHBondContact O-CB 3.37Å; A73-S76 PolarHBondContact O-N 2.99Å; A73-M77 WeakPolarHBondContact O-CG 3.07Å; A73-M77 PolarHBondContact O-N 2.98Å |
| 74 | V | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 177 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | A70 C71 M77 T78 | A70-V74 WeakPolarHBondContact O-CG2 3.47Å; A70-V74 PolarHBondContact O-N 3.5Å; C71-V74 PolarHBondContact O-N 3Å; V74-M77 PolarHBondContact O-N 3.49Å; V74-T78 WeakPolarHBondContact O-CB 3.4Å; V74-T78 PolarHBondContact O-N 3.45Å; V74-T78 PolarHBondContact O-OG1 3.03Å |
| 75 | K | 98.3 | Very high | 98.1 | Very high | 137 Ų | 137 | 98.8 Ų | 98.8 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -42.9 | 176.3 | -170.8 | 174 | -176.3 | 175.5 | 0 | 111.5 | C71 S72 A73 M77 T78 N79 | C71-K75 WeakPolarHBondContact O-CB 3.46Å; C71-K75 PolarHBondContact O-N 3.46Å; S72-K75 PolarHBondContact O-N 3.29Å; A73-K75 VanDerWaalsContact C-N 3.32Å; A73-K75 PolarHBondContact O-N 2.92Å; K75-M77 PolarHBondContact O-N 2.86Å; K75-T78 PolarHBondContact O-N 3.11Å; K75-N79 WeakPolarHBondContact O-CB 3.45Å; K75-N79 PolarHBondContact O-N 3.4Å; K75-N79 PolarHBondContact O-OD1 3.37Å |
| 76 | S | 98 | Very high | 98.1 | Very high | 69 Ų | 69 | 95.2 Ų | 95.2 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.3 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | S72 A73 T78 N79 S80 | S72-S76 WeakPolarHBondContact O-CB 3.47Å; S72-S76 PolarHBondContact O-N 3.27Å; A73-S76 WeakPolarHBondContact O-CB 3.37Å; A73-S76 PolarHBondContact O-N 2.99Å; S76-T78 VanDerWaalsContact C-N 3.35Å; S76-T78 PolarHBondContact O-N 2.86Å; S76-N79 PolarHBondContact O-N 3.45Å; S76-S80 WeakPolarHBondContact O-CB 3.38Å; S76-S80 PolarHBondContact O-N 2.93Å; S76-S80 PolarHBondContact O-OG 2.94Å |
| 77 | M | 97.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 95.4 Ų | 95.4 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 174.5 | -69.9 | 178.5 | 67.5 | 0 | 0 | 111.8 | A73 V74 K75 S80 S81 | A73-M77 WeakPolarHBondContact O-CG 3.07Å; A73-M77 PolarHBondContact O-N 2.98Å; V74-M77 PolarHBondContact O-N 3.49Å; K75-M77 PolarHBondContact O-N 2.86Å; M77-S80 PolarHBondContact O-N 3.3Å; M77-S80 VanDerWaalsContact O-N 3.14Å; M77-S81 PolarHBondContact O-N 3.45Å |
| 78 | T | 97.6 | Very high | 98 | Very high | 86 Ų | 86 | 94 Ų | 94 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | V74 K75 S76 S80 S81 | V74-T78 WeakPolarHBondContact O-CB 3.4Å; V74-T78 PolarHBondContact O-N 3.45Å; V74-T78 PolarHBondContact O-OG1 3.03Å; K75-T78 PolarHBondContact O-N 3.11Å; S76-T78 VanDerWaalsContact C-N 3.35Å; S76-T78 PolarHBondContact O-N 2.86Å; T78-S80 PolarHBondContact O-N 2.8Å; T78-S81 WeakPolarHBondContact O-CB 3.38Å; T78-S81 PolarHBondContact O-N 2.94Å; T78-S81 VanDerWaalsContact O-N 3.07Å; T78-S81 PolarHBondContact O-OG 2.94Å |
| 79 | N | 97.6 | Very high | 98 | Very high | 114 Ų | 114 | 91.7 Ų | 91.7 | 61% | 0.61 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -28.7 | 175.4 | -70.1 | -9.7 | 0 | 0 | 0 | 112.3 | K75 S76 S81 | K75-N79 WeakPolarHBondContact O-CB 3.45Å; K75-N79 PolarHBondContact O-N 3.4Å; K75-N79 PolarHBondContact O-OD1 3.37Å; S76-N79 PolarHBondContact O-N 3.45Å; N79-S81 VanDerWaalsContact C-N 3.26Å; N79-S81 PolarHBondContact O-N 2.96Å |
| 80 | S | 98 | Very high | 98 | Very high | 34 Ų | 34 | 89.2 Ų | 89.2 | 24% | 0.238 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 0.2 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 113.8 | S76 M77 T78 V82 Y83 F84 | S76-S80 WeakPolarHBondContact O-CB 3.38Å; S76-S80 PolarHBondContact O-N 2.93Å; S76-S80 PolarHBondContact O-OG 2.94Å; M77-S80 PolarHBondContact O-N 3.3Å; M77-S80 VanDerWaalsContact O-N 3.14Å; T78-S80 PolarHBondContact O-N 2.8Å; S80-V82 PolarHBondContact O-N 3.38Å; S80-V82 VanDerWaalsContact O-N 3.14Å; S80-Y83 WeakPolarHBondContact O-CB 3.39Å; S80-Y83 PolarHBondContact O-N 3.45Å; S80-F84 WeakPolarHBondContact O-CD2 3.3Å; S80-F84 PolarHBondContact O-N 2.87Å; S80-F84 VanDerWaalsContact O-N 3.17Å |
| 81 | S | 97.6 | Very high | 98 | Very high | 48 Ų | 48 | 91.7 Ų | 91.7 | 34% | 0.336 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.1 | -33.8 | -176.4 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | M77 T78 N79 F84 K85 | M77-S81 PolarHBondContact O-N 3.45Å; T78-S81 WeakPolarHBondContact O-CB 3.38Å; T78-S81 PolarHBondContact O-N 2.94Å; T78-S81 VanDerWaalsContact O-N 3.07Å; T78-S81 PolarHBondContact O-OG 2.94Å; N79-S81 VanDerWaalsContact C-N 3.26Å; N79-S81 PolarHBondContact O-N 2.96Å; S81-F84 PolarHBondContact O-N 3.24Å; S81-K85 WeakPolarHBondContact O-CG 3.48Å; S81-K85 PolarHBondContact O-N 2.96Å |
| 82 | V | 97.4 | Very high | 98 | Very high | 85 Ų | 85 | 95.2 Ų | 95.2 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.7 | 177 | 0 | 0 | 0 | 0 | 110.9 | S80 K85 N86 | S80-V82 PolarHBondContact O-N 3.38Å; S80-V82 VanDerWaalsContact O-N 3.14Å; V82-K85 PolarHBondContact O-N 3.15Å; V82-N86 PolarHBondContact O-N 3.39Å; V82-N86 PolarHBondContact O-ND2 2.88Å; V82-N86 PolarHBondContact O-OD1 3.04Å |
| 83 | Y | 98 | Very high | 98 | Very high | 157 Ų | 157 | 97 Ų | 97 | 62% | 0.616 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 177.3 | -58 | -65.1 | 0 | 0 | 0 | 111.2 | S80 K85 N86 I87 | S80-Y83 WeakPolarHBondContact O-CB 3.39Å; S80-Y83 PolarHBondContact O-N 3.45Å; Y83-K85 VanDerWaalsContact C-N 3.33Å; Y83-K85 PolarHBondContact O-N 2.85Å; Y83-N86 PolarHBondContact O-N 2.7Å; Y83-I87 WeakPolarHBondContact O-CB 3.24Å; Y83-I87 WeakPolarHBondContact O-CD1 3.27Å; Y83-I87 VanDerWaalsContact O-CG1 3.24Å; Y83-I87 WeakPolarHBondContact O-CG1 3.12Å; Y83-I87 PolarHBondContact O-N 3.39Å |
| 84 | F | 97.9 | Very high | 98 | Very high | 113 Ų | 113 | 97.8 Ų | 97.8 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.4 | -61.6 | -42.7 | 0 | 0 | 0 | 112.4 | S80 S81 I87 D88 | S80-F84 WeakPolarHBondContact O-CD2 3.3Å; S80-F84 PolarHBondContact O-N 2.87Å; S80-F84 VanDerWaalsContact O-N 3.17Å; S81-F84 PolarHBondContact O-N 3.24Å; F84-I87 PolarHBondContact O-N 2.82Å; F84-D88 WeakPolarHBondContact O-CB 3.43Å; F84-D88 PolarHBondContact O-N 3.41Å |
| 85 | K | 98.1 | Very high | 98 | Very high | 140 Ų | 140 | 98.1 Ų | 98.1 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 174.9 | -74.4 | 177.2 | -179.5 | 179.3 | 0 | 112.7 | S81 V82 Y83 D88 T89 | S81-K85 WeakPolarHBondContact O-CG 3.48Å; S81-K85 PolarHBondContact O-N 2.96Å; V82-K85 PolarHBondContact O-N 3.15Å; Y83-K85 VanDerWaalsContact C-N 3.33Å; Y83-K85 PolarHBondContact O-N 2.85Å; K85-D88 PolarHBondContact O-N 3.03Å; K85-T89 WeakPolarHBondContact O-CB 3.36Å; K85-T89 PolarHBondContact O-N 3.3Å; K85-T89 PolarHBondContact O-OG1 3.35Å |
| 86 | N | 98.3 | Very high | 97.9 | Very high | 86 Ų | 86 | 94.9 Ų | 94.9 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177.8 | -69.6 | -11.4 | 0 | 0 | 0 | 111 | V82 Y83 T89 L90 | V82-N86 PolarHBondContact O-N 3.39Å; V82-N86 PolarHBondContact O-ND2 2.88Å; V82-N86 PolarHBondContact O-OD1 3.04Å; Y83-N86 PolarHBondContact O-N 2.7Å; N86-T89 PolarHBondContact O-N 3.3Å; N86-L90 WeakPolarHBondContact O-CB 3.46Å; N86-L90 WeakPolarHBondContact O-CG 2.95Å; N86-L90 PolarHBondContact O-N 2.85Å |
| 87 | I | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 97.3 Ų | 97.3 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 176 | -67.4 | 163.4 | 0 | 0 | 0 | 110.6 | Y83 F84 T89 L90 L91 | Y83-I87 WeakPolarHBondContact O-CB 3.24Å; Y83-I87 WeakPolarHBondContact O-CD1 3.27Å; Y83-I87 VanDerWaalsContact O-CG1 3.24Å; Y83-I87 WeakPolarHBondContact O-CG1 3.12Å; Y83-I87 PolarHBondContact O-N 3.39Å; F84-I87 PolarHBondContact O-N 2.82Å; I87-T89 VanDerWaalsContact C-N 3.33Å; I87-T89 PolarHBondContact O-N 2.98Å; I87-L90 PolarHBondContact O-N 3.36Å; I87-L91 HydrophobicContact CG2-CD1 3.88Å; I87-L91 HydrophobicContact CG2-CG 4.39Å; I87-L91 WeakPolarHBondContact O-CB 3.48Å; I87-L91 VanDerWaalsContact O-CG 3.3Å; I87-L91 WeakPolarHBondContact O-CG 3.26Å; I87-L91 PolarHBondContact O-N 2.94Å |
| 88 | D | 98 | Very high | 97.9 | Very high | 69 Ų | 69 | 98.9 Ų | 98.9 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 177.2 | 174.7 | 81.3 | 0 | 0 | 0 | 111.7 | F84 K85 L91 R92 | F84-D88 WeakPolarHBondContact O-CB 3.43Å; F84-D88 PolarHBondContact O-N 3.41Å; K85-D88 PolarHBondContact O-N 3.03Å; D88-L91 PolarHBondContact O-N 3.47Å; D88-R92 VanDerWaalsContact CG-NE 3.34Å; D88-R92 WeakPolarHBondContact O-CG 3.41Å; D88-R92 PolarHBondContact O-N 3.29Å; D88-R92 IonicContact OD1-CZ 3.45Å; D88-R92 IonicContact OD1-NE 3.19Å; D88-R92 PolarHBondContact OD1-NE 3.29Å; D88-R92 IonicContact OD1-NH2 2.89Å; D88-R92 PolarHBondContact OD1-NH2 2.96Å; D88-R92 IonicContact OD2-CZ 3.66Å; D88-R92 IonicContact OD2-NE 2.81Å; D88-R92 PolarHBondContact OD2-NE 2.99Å; D88-R92 IonicContact OD2-NH2 3.59Å |
| 89 | T | 98.4 | Very high | 97.8 | Very high | 65 Ų | 65 | 100.1 Ų | 100.1 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | K85 N86 I87 L91 R92 Q93 | K85-T89 WeakPolarHBondContact O-CB 3.36Å; K85-T89 PolarHBondContact O-N 3.3Å; K85-T89 PolarHBondContact O-OG1 3.35Å; N86-T89 PolarHBondContact O-N 3.3Å; I87-T89 VanDerWaalsContact C-N 3.33Å; I87-T89 PolarHBondContact O-N 2.98Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.49Å; T89-R92 PolarHBondContact O-N 3.5Å; T89-Q93 WeakPolarHBondContact O-CG 3.45Å; T89-Q93 PolarHBondContact O-N 3.47Å |
| 90 | L | 98.4 | Very high | 97.6 | Very high | 109 Ų | 109 | 99.8 Ų | 99.8 | 57% | 0.571 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -40.9 | 179 | -75.4 | 169.1 | 0 | 0 | 0 | 111.8 | N86 I87 Q93 A94 | N86-L90 WeakPolarHBondContact O-CB 3.46Å; N86-L90 WeakPolarHBondContact O-CG 2.95Å; N86-L90 PolarHBondContact O-N 2.85Å; I87-L90 PolarHBondContact O-N 3.36Å; L90-Q93 PolarHBondContact O-N 2.96Å; L90-A94 WeakPolarHBondContact O-CB 3.31Å; L90-A94 PolarHBondContact O-N 3.27Å |
| 91 | L | 98.4 | Very high | 97.4 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.6 | -73.3 | 173.3 | 0 | 0 | 0 | 111.6 | I87 D88 T89 Q93 A94 I95 | I87-L91 HydrophobicContact CG2-CD1 3.88Å; I87-L91 HydrophobicContact CG2-CG 4.39Å; I87-L91 WeakPolarHBondContact O-CB 3.48Å; I87-L91 VanDerWaalsContact O-CG 3.3Å; I87-L91 WeakPolarHBondContact O-CG 3.26Å; I87-L91 PolarHBondContact O-N 2.94Å; D88-L91 PolarHBondContact O-N 3.47Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.49Å; L91-Q93 PolarHBondContact O-N 3.49Å; L91-A94 PolarHBondContact O-N 3.4Å; L91-I95 WeakPolarHBondContact O-CD1 3.35Å; L91-I95 VanDerWaalsContact O-CG1 3.25Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 2.94Å |
| 92 | R | 98.2 | Very high | 97.2 | Very high | 154 Ų | 154 | 103.7 Ų | 103.7 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -45.7 | 175.4 | -70.8 | 174.1 | -169.3 | -72.3 | -13.6 | 111.9 | D88 T89 A94 I95 T96 | D88-R92 VanDerWaalsContact CG-NE 3.34Å; D88-R92 WeakPolarHBondContact O-CG 3.41Å; D88-R92 PolarHBondContact O-N 3.29Å; D88-R92 IonicContact OD1-CZ 3.45Å; D88-R92 IonicContact OD1-NE 3.19Å; D88-R92 PolarHBondContact OD1-NE 3.29Å; D88-R92 IonicContact OD1-NH2 2.89Å; D88-R92 PolarHBondContact OD1-NH2 2.96Å; D88-R92 IonicContact OD2-CZ 3.66Å; D88-R92 IonicContact OD2-NE 2.81Å; D88-R92 PolarHBondContact OD2-NE 2.99Å; D88-R92 IonicContact OD2-NH2 3.59Å; T89-R92 PolarHBondContact O-N 3.5Å; R92-A94 PolarHBondContact O-N 3.41Å; R92-I95 PolarHBondContact O-N 2.9Å; R92-T96 PolarHBondContact O-N 3.45Å; R92-T96 PolarHBondContact O-OG1 3.43Å |
| 93 | Q | 98.1 | Very high | 96.8 | Very high | 116 Ų | 116 | 104.7 Ų | 104.7 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 177.2 | -73 | 175.4 | -19.8 | 0 | 0 | 111.7 | T89 L90 L91 I95 T96 M97 | T89-Q93 WeakPolarHBondContact O-CG 3.45Å; T89-Q93 PolarHBondContact O-N 3.47Å; L90-Q93 PolarHBondContact O-N 2.96Å; L91-Q93 PolarHBondContact O-N 3.49Å; Q93-I95 VanDerWaalsContact C-N 3.34Å; Q93-I95 PolarHBondContact O-N 3.14Å; Q93-T96 PolarHBondContact O-N 2.97Å; Q93-M97 WeakPolarHBondContact O-CB 3.36Å; Q93-M97 PolarHBondContact O-N 3.42Å |
| 94 | A | 98.3 | Very high | 96.2 | Very high | 59 Ų | 59 | 104.9 Ų | 104.9 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L90 L91 R92 M97 K98 | L90-A94 WeakPolarHBondContact O-CB 3.31Å; L90-A94 PolarHBondContact O-N 3.27Å; L91-A94 PolarHBondContact O-N 3.4Å; R92-A94 PolarHBondContact O-N 3.41Å; A94-M97 PolarHBondContact O-N 2.83Å; A94-K98 WeakPolarHBondContact O-CB 3.45Å; A94-K98 PolarHBondContact O-N 3.01Å |
| 95 | I | 97.5 | Very high | 95.3 | Very high | 98 Ų | 98 | 103.5 Ų | 103.5 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -51.1 | 175.5 | -68.9 | 163.6 | 0 | 0 | 0 | 110.5 | L91 R92 Q93 M97 K98 E99 | L91-I95 WeakPolarHBondContact O-CD1 3.35Å; L91-I95 VanDerWaalsContact O-CG1 3.25Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 2.94Å; R92-I95 PolarHBondContact O-N 2.9Å; Q93-I95 VanDerWaalsContact C-N 3.34Å; Q93-I95 PolarHBondContact O-N 3.14Å; I95-M97 VanDerWaalsContact C-N 3.31Å; I95-M97 PolarHBondContact O-N 3.39Å; I95-K98 WeakPolarHBondContact O-CB 3.42Å; I95-K98 PolarHBondContact O-N 3.19Å; I95-E99 PolarHBondContact O-N 2.83Å |
| 96 | T | 97.6 | Very high | 94.2 | Very high | 69 Ų | 69 | 98.4 Ų | 98.4 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 179 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | R92 Q93 K98 E99 Q100 | R92-T96 PolarHBondContact O-N 3.45Å; R92-T96 PolarHBondContact O-OG1 3.43Å; Q93-T96 PolarHBondContact O-N 2.97Å; T96-K98 VanDerWaalsContact C-N 3.35Å; T96-K98 PolarHBondContact O-N 3.4Å; T96-E99 PolarHBondContact O-N 3.22Å; T96-Q100 WeakPolarHBondContact O-CG 3.43Å; T96-Q100 PolarHBondContact O-N 2.9Å |
| 97 | M | 97.1 | Very high | 92.7 | Very high | 121 Ų | 121 | 103.5 Ų | 103.5 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 178.4 | -168.5 | 176.7 | -125.8 | 0 | 0 | 111.6 | Q93 A94 I95 Q100 I101 | Q93-M97 WeakPolarHBondContact O-CB 3.36Å; Q93-M97 PolarHBondContact O-N 3.42Å; A94-M97 PolarHBondContact O-N 2.83Å; I95-M97 VanDerWaalsContact C-N 3.31Å; I95-M97 PolarHBondContact O-N 3.39Å; M97-Q100 PolarHBondContact O-N 3.39Å; M97-I101 HydrophobicContact CG-CD1 4.08Å; M97-I101 VanDerWaalsContact O-CG1 3.28Å; M97-I101 WeakPolarHBondContact O-CG1 3.33Å; M97-I101 PolarHBondContact O-N 2.98Å |
| 98 | K | 96.4 | Very high | 91 | Very high | 155 Ų | 155 | 108.2 Ų | 108.2 | 67% | 0.674 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.3 | -46.9 | 173.9 | -178.9 | -157 | 169.9 | -170 | 0 | 111.4 | A94 I95 T96 I101 S102 | A94-K98 WeakPolarHBondContact O-CB 3.45Å; A94-K98 PolarHBondContact O-N 3.01Å; I95-K98 WeakPolarHBondContact O-CB 3.42Å; I95-K98 PolarHBondContact O-N 3.19Å; T96-K98 VanDerWaalsContact C-N 3.35Å; T96-K98 PolarHBondContact O-N 3.4Å; K98-I101 PolarHBondContact O-N 3.36Å; K98-S102 WeakPolarHBondContact O-CB 3.38Å; K98-S102 PolarHBondContact O-N 3.15Å |
| 99 | E | 95.5 | Very high | 89.3 | Confident | 112 Ų | 112 | 111.7 Ų | 111.7 | 52% | 0.523 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 179.2 | -74.1 | 177 | 171.7 | 0 | 0 | 111.9 | I95 T96 I101 S102 N103 | I95-E99 PolarHBondContact O-N 2.83Å; T96-E99 PolarHBondContact O-N 3.22Å; E99-I101 PolarHBondContact O-N 2.94Å; E99-S102 PolarHBondContact O-N 3.16Å; E99-N103 WeakPolarHBondContact O-CB 3.16Å; E99-N103 PolarHBondContact O-N 3.46Å; E99-N103 PolarHBondContact O-ND2 2.97Å |
| 100 | Q | 94.4 | Very high | 87.4 | Confident | 106 Ų | 106 | 114.3 Ų | 114.3 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.2 | -51.9 | 174.6 | -71.8 | 174.6 | -7.3 | 0 | 0 | 110.9 | T96 M97 S102 N103 Y104 | T96-Q100 WeakPolarHBondContact O-CG 3.43Å; T96-Q100 PolarHBondContact O-N 2.9Å; M97-Q100 PolarHBondContact O-N 3.39Å; Q100-S102 VanDerWaalsContact C-N 3.33Å; Q100-S102 PolarHBondContact O-N 3.42Å; Q100-N103 PolarHBondContact O-N 2.75Å; Q100-Y104 WeakPolarHBondContact O-CD2 3.46Å; Q100-Y104 PolarHBondContact O-N 2.9Å |
| 101 | I | 93.6 | Very high | 85.5 | Confident | 91 Ų | 91 | 114.7 Ų | 114.7 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.7 | -44.1 | 179.2 | -66.9 | 165.5 | 0 | 0 | 0 | 111 | M97 K98 E99 N103 Y104 N105 | M97-I101 HydrophobicContact CG-CD1 4.08Å; M97-I101 VanDerWaalsContact O-CG1 3.28Å; M97-I101 WeakPolarHBondContact O-CG1 3.33Å; M97-I101 PolarHBondContact O-N 2.98Å; K98-I101 PolarHBondContact O-N 3.36Å; E99-I101 PolarHBondContact O-N 2.94Å; I101-N103 VanDerWaalsContact C-N 3.31Å; I101-N103 PolarHBondContact O-N 3.39Å; I101-Y104 PolarHBondContact O-N 3.16Å; I101-N105 WeakPolarHBondContact O-CB 3.32Å; I101-N105 PolarHBondContact O-N 3.02Å |
| 102 | S | 92.8 | Very high | 83.6 | Confident | 74 Ų | 74 | 113.6 Ų | 113.6 | 52% | 0.517 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.5 | -42.8 | 177.5 | -169.5 | 0 | 0 | 0 | 0 | 111.6 | K98 E99 Q100 N105 G106 | K98-S102 WeakPolarHBondContact O-CB 3.38Å; K98-S102 PolarHBondContact O-N 3.15Å; E99-S102 PolarHBondContact O-N 3.16Å; Q100-S102 VanDerWaalsContact C-N 3.33Å; Q100-S102 PolarHBondContact O-N 3.42Å; S102-N105 PolarHBondContact O-N 2.97Å; S102-G106 PolarHBondContact O-N 3.4Å |
| 103 | N | 90.2 | Very high | 81.6 | Confident | 106 Ų | 106 | 111.9 Ų | 111.9 | 57% | 0.567 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68 | -39.3 | 178.2 | -69.6 | -17.6 | 0 | 0 | 0 | 112.3 | E99 Q100 I101 R107 | E99-N103 WeakPolarHBondContact O-CB 3.16Å; E99-N103 PolarHBondContact O-N 3.46Å; E99-N103 PolarHBondContact O-ND2 2.97Å; Q100-N103 PolarHBondContact O-N 2.75Å; I101-N103 VanDerWaalsContact C-N 3.31Å; I101-N103 PolarHBondContact O-N 3.39Å; N103-R107 WeakPolarHBondContact O-CG 3.49Å; N103-R107 PolarHBondContact O-N 2.95Å; N103-R107 VanDerWaalsContact O-N 3.12Å |
| 104 | Y | 84.1 | Confident | 79.4 | Confident | 160 Ų | 160 | 110.2 Ų | 110.2 | 63% | 0.627 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.6 | -42.8 | 173.4 | -84.3 | -75.1 | 0 | 0 | 0 | 112 | Q100 I101 R107 R108 | Q100-Y104 WeakPolarHBondContact O-CD2 3.46Å; Q100-Y104 PolarHBondContact O-N 2.9Å; I101-Y104 PolarHBondContact O-N 3.16Å; Y104-R107 PolarHBondContact O-N 3.36Å; Y104-R108 PolarHBondContact O-N 3.01Å |
| 105 | N | 80.1 | Confident | 77.2 | Confident | 85 Ų | 85 | 112 Ų | 112 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.5 | -37.7 | 178.7 | -77.5 | 8.3 | 0 | 0 | 0 | 112.4 | I101 S102 R108 Q109 | I101-N105 WeakPolarHBondContact O-CB 3.32Å; I101-N105 PolarHBondContact O-N 3.02Å; S102-N105 PolarHBondContact O-N 2.97Å; N105-R108 PolarHBondContact O-N 3.39Å; N105-Q109 PolarHBondContact O-N 3.33Å |
| 106 | G | 74.1 | Confident | 75 | Confident | 32 Ų | 32 | 113 Ų | 113 | 33% | 0.33 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.4 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S102 Q109 N110 | S102-G106 PolarHBondContact O-N 3.4Å; G106-Q109 PolarHBondContact O-N 3.11Å; G106-N110 PolarHBondContact O-N 3.46Å; G106-N110 VanDerWaalsContact O-N 3.17Å |
| 107 | R | 67.1 | Low | 73 | Confident | 193 Ų | 193 | 114 Ų | 114 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65 | -41.6 | 172.8 | -75.1 | -179.7 | 177.2 | -175.7 | -0.5 | 112.3 | N103 Y104 N110 D111 | N103-R107 WeakPolarHBondContact O-CG 3.49Å; N103-R107 PolarHBondContact O-N 2.95Å; N103-R107 VanDerWaalsContact O-N 3.12Å; Y104-R107 PolarHBondContact O-N 3.36Å; R107-N110 PolarHBondContact O-N 3.22Å; R107-D111 PolarHBondContact O-N 2.87Å |
| 108 | R | 63.6 | Low | 70.8 | Confident | 194 Ų | 194 | 114.2 Ų | 114.2 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64 | -36.9 | 176.3 | -80.6 | -176.9 | 166.3 | -173.8 | -3.6 | 113.4 | Y104 N105 A112 | Y104-R108 PolarHBondContact O-N 3.01Å; N105-R108 PolarHBondContact O-N 3.39Å; R108-A112 WeakPolarHBondContact O-CB 3.38Å; R108-A112 PolarHBondContact O-N 3.03Å; R108-A112 VanDerWaalsContact O-N 3.14Å |
| 109 | Q | 60.6 | Low | 69.1 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 66% | 0.659 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.4 | -40.7 | 174.8 | -75.5 | -175.5 | 16.5 | 0 | 0 | 111.9 | N105 G106 T113 | N105-Q109 PolarHBondContact O-N 3.33Å; G106-Q109 PolarHBondContact O-N 3.11Å; Q109-T113 PolarHBondContact O-N 3.28Å; Q109-T113 PolarHBondContact O-OG1 3.5Å |
| 110 | N | 59 | Low | 67.2 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 64% | 0.642 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.7 | -39.9 | 177.1 | -74.5 | -3.5 | 0 | 0 | 0 | 112.3 | G106 R107 T113 S114 | G106-N110 PolarHBondContact O-N 3.46Å; G106-N110 VanDerWaalsContact O-N 3.17Å; R107-N110 PolarHBondContact O-N 3.22Å; N110-T113 PolarHBondContact O-N 3.38Å; N110-S114 PolarHBondContact O-N 3.25Å; N110-S114 PolarHBondContact O-OG 3.34Å |
| 111 | D | 58.5 | Low | 65.3 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 63% | 0.631 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.4 | -34.5 | -179.1 | -148.7 | 5.4 | 0 | 0 | 0 | 112.7 | R107 T113 S114 | R107-D111 PolarHBondContact O-N 2.87Å; D111-T113 PolarHBondContact O-N 2.96Å; D111-S114 WeakPolarHBondContact CA-OG 3.13Å; D111-S114 PolarHBondContact O-N 2.66Å; D111-S114 PolarHBondContact O-OG 3.45Å; D111-S114 VanDerWaalsContact O-OG 3.11Å |
| 112 | A | 58.1 | Low | 63.7 | Low | 81 Ų | 81 | 112.4 Ų | 112.4 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.2 | -20.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | R108 | R108-A112 WeakPolarHBondContact O-CB 3.38Å; R108-A112 PolarHBondContact O-N 3.03Å; R108-A112 VanDerWaalsContact O-N 3.14Å |
| 113 | T | 56.2 | Low | 61.8 | Low | 119 Ų | 119 | 114.8 Ų | 114.8 | 73% | 0.73 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -94.7 | -10.6 | -179.7 | -34.4 | 0 | 0 | 0 | 0 | 112.5 | Q109 N110 D111 | Q109-T113 PolarHBondContact O-N 3.28Å; Q109-T113 PolarHBondContact O-OG1 3.5Å; N110-T113 PolarHBondContact O-N 3.38Å; D111-T113 PolarHBondContact O-N 2.96Å |
| 114 | S | 53.5 | Low | 60.2 | Low | 80 Ų | 80 | 118.9 Ų | 118.9 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | trans | -100.1 | 7.6 | -179 | 43 | 0 | 0 | 0 | 0 | 115.6 | N110 D111 | N110-S114 PolarHBondContact O-N 3.25Å; N110-S114 PolarHBondContact O-OG 3.34Å; D111-S114 WeakPolarHBondContact CA-OG 3.13Å; D111-S114 PolarHBondContact O-N 2.66Å; D111-S114 PolarHBondContact O-OG 3.45Å; D111-S114 VanDerWaalsContact O-OG 3.11Å | ||
| 115 | S | 50.3 | Low | 58.8 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 123.1 | 170.1 | -80 | 0 | 0 | 0 | 0 | 110.7 | A117 | S115-A117 PolarHBondContact O-N 2.95Š|
| 116 | P | 52.5 | Low | 57.8 | Low | 121 Ų | 121 | 120.2 Ų | 120.2 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 133.2 | 176.2 | 30.3 | -31.5 | 0 | 0 | 0 | 109 | ||
| 117 | A | 54.8 | Low | 57 | Low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 139.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S115 S119 | S115-A117 PolarHBondContact O-N 2.95Å; A117-S119 PolarHBondContact O-N 3.49Å |
| 118 | P | 52.1 | Low | 56.4 | Low | 125 Ų | 125 | 119.9 Ų | 119.9 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 121.5 | 173.8 | 27.1 | -30 | 0 | 0 | 0 | 108.5 | A120 | P118-A120 PolarHBondContact O-N 2.97Š|
| 119 | S | 59.8 | Low | 55.8 | Low | 120 Ų | 120 | 116.1 Ų | 116.1 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 117.6 | 176.5 | 11.2 | 0 | 0 | 0 | 0 | 110.8 | A117 | A117-S119 PolarHBondContact O-N 3.49Š|
| 120 | A | 55.3 | Low | 55.1 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 140.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | P118 | P118-A120 PolarHBondContact O-N 2.97Š|
| 121 | P | 54.3 | Low | 54.9 | Low | 126 Ų | 126 | 118.8 Ų | 118.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 138.6 | 176.1 | 30.8 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 122 | A | 61.4 | Low | 54.8 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 144.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q124 | A122-Q124 PolarHBondContact O-N 3.34Š|
| 123 | P | 53.2 | Low | 54.6 | Low | 125 Ų | 125 | 120.9 Ų | 120.9 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 119.3 | -179.4 | 29 | -30.8 | 0 | 0 | 0 | 110.3 | N125 | P123-N125 PolarHBondContact O-N 3.5Š|
| 124 | Q | 55.8 | Low | 54.5 | Low | 191 Ų | 191 | 121 Ų | 121 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -80.1 | 113.8 | 165.3 | -80.5 | -178.3 | -20.8 | 0 | 0 | 108.8 | A122 S126 | A122-Q124 PolarHBondContact O-N 3.34Å; Q124-S126 PolarHBondContact O-N 2.91Å | ||
| 125 | N | 54.7 | Low | 54.5 | Low | 159 Ų | 159 | 123.6 Ų | 123.6 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -67.7 | 120.6 | 169.2 | -92.9 | -9.5 | 0 | 0 | 0 | 110.1 | P123 | P123-N125 PolarHBondContact O-N 3.5Š| ||
| 126 | S | 58.8 | Low | 54.8 | Low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | -68.6 | 153.1 | 164.3 | -41.5 | 0 | 0 | 0 | 0 | 111.1 | Q124 | Q124-S126 PolarHBondContact O-N 2.91Š| ||
| 127 | P | 57.7 | Low | 55 | Low | 128 Ų | 128 | 125.7 Ų | 125.7 | 83% | 0.831 | 84% | 0.843 | S | S | * | * | trans | -107.9 | 157.4 | 147.2 | 22.8 | -6.6 | 0 | 0 | 0 | 112.1 | ||||
| 128 | A | 54.3 | Low | 55 | Low | 90 Ų | 90 | 128.5 Ų | 128.5 | 74% | 0.744 | 85% | 0.852 | S | S | * | * | trans | -72.4 | 153.3 | -165 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 129 | S | 50.6 | Low | 55.2 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 86% | 0.855 | S | S | * | * | trans | 29.7 | 125.5 | 135.7 | -50.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 130 | S | 46.9 | Very low | 54.8 | Low | 197 Ų | 197 | 129.6 Ų | 129.6 | 100% | 1.378 | 86% | 0.856 | S | S | * | * | -167.7 | 0 | 108.6 | -109.9 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 130 of 130 residues in 54.5 ms
(Link to these results)