| 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 | 35.5 | Very low | 59.6 | Low | 237 Ų | 237 | 131.6 Ų | 131.6 | 100% | 1.167 | 74% | 0.744 | S | S | * | * | 0 | 116.4 | 0 | -74.6 | 149.2 | 68 | 0 | 0 | 106.5 | G3 | M1-G3 PolarHBondContact O-N 3.11Š| |||
| 2 | N | 40.5 | Very low | 61.8 | Low | 167 Ų | 167 | 133.3 Ų | 133.3 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -76.8 | 126.8 | -175.4 | -63.7 | 8.8 | 0 | 0 | 0 | 108.5 | ||||
| 3 | G | 47.5 | Very low | 64 | Low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | -62 | 137.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | M1 A5 | M1-G3 PolarHBondContact O-N 3.11Å; G3-A5 PolarHBondContact O-N 2.87Å | ||
| 4 | T | 47.6 | Very low | 65.9 | Low | 120 Ų | 120 | 132.5 Ų | 132.5 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | -61.9 | 108.9 | 167.5 | 46.2 | 0 | 0 | 0 | 0 | 108.1 | Y6 | T4-Y6 PolarHBondContact O-N 2.83Š| ||
| 5 | A | 51.7 | Low | 67.8 | Low | 91 Ų | 91 | 131.9 Ų | 131.9 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -56 | 128.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G3 S7 | G3-A5 PolarHBondContact O-N 2.87Å; A5-S7 VanDerWaalsContact C-N 3.34Å; A5-S7 PolarHBondContact O-N 2.85Å | ||
| 6 | Y | 55.7 | Low | 69.6 | Low | 184 Ų | 184 | 129.6 Ų | 129.6 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | -72.9 | 89 | -177.9 | -64.5 | -81 | 0 | 0 | 0 | 109.4 | T4 N8 F9 | T4-Y6 PolarHBondContact O-N 2.83Å; Y6-N8 PolarHBondContact O-N 3.18Å; Y6-F9 PolarHBondContact O-N 2.8Å | ||
| 7 | S | 61.6 | Low | 71.1 | Confident | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -1 | -173 | 56.6 | 0 | 0 | 0 | 0 | 116.6 | A5 | A5-S7 VanDerWaalsContact C-N 3.34Å; A5-S7 PolarHBondContact O-N 2.85Å |
| 8 | N | 68.8 | Low | 72.5 | Confident | 110 Ų | 110 | 126.7 Ų | 126.7 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -13.7 | 178.7 | -56.4 | 4.7 | 0 | 0 | 0 | 111.7 | Y6 H92 | Y6-N8 PolarHBondContact O-N 3.18Å; N8-H92 PolarHBondContact O-CE1 3.27Å |
| 9 | F | 78.4 | Confident | 73.7 | Confident | 102 Ų | 102 | 120.5 Ų | 120.5 | 45% | 0.447 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -101.4 | 134.9 | 171.7 | -63.8 | -91 | 0 | 0 | 0 | 108.9 | Y6 V90 Y97 | Y6-F9 PolarHBondContact O-N 2.8Å; F9-V90 HydrophobicContact CE1-CG2 3.89Å; F9-V90 HydrophobicContact CZ-CG2 4.33Å; F9-Y97 AromaticContact CD1-CE1 3.95Å; F9-Y97 HydrophobicContact CD1-CE1 3.95Å; F9-Y97 AromaticContact CE1-CE1 3.96Å; F9-Y97 HydrophobicContact CE1-CE1 3.96Å |
| 10 | D | 83.1 | Confident | 74.8 | Confident | 78 Ų | 78 | 117.9 Ų | 117.9 | 42% | 0.417 | 64% | 0.637 | S | S | . | * | trans | -84 | 179.9 | 166.8 | 63.2 | 58.2 | 0 | 0 | 0 | 110.9 | Q12 H14 | D10-Q12 WeakPolarHBondContact OD1-CA 3.24Å; D10-Q12 VanDerWaalsContact OD1-CB 3.24Å; D10-Q12 WeakPolarHBondContact OD1-CB 3.43Å; D10-Q12 PolarHBondContact OD1-N 3.06Å; D10-H14 VanDerWaalsContact CG-NE2 3.31Å; D10-H14 IonicContact OD1-CD2 2.91Å; D10-H14 IonicContact OD1-CE1 3.08Å; D10-H14 IonicContact OD1-NE2 3.33Å; D10-H14 PolarHBondContact OD1-NE2 2.83Å; D10-H14 IonicContact OD2-CE1 2.83Å; D10-H14 PolarHBondContact OD2-CE1 3.46Å; D10-H14 IonicContact OD2-NE2 2.83Å; D10-H14 PolarHBondContact OD2-NE2 2.93Å | ||
| 11 | N | 85.3 | Confident | 75.8 | Confident | 177 Ų | 177 | 112.7 Ų | 112.7 | 95% | 0.947 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -99.7 | 24.5 | 178.8 | -62.3 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 12 | Q | 86.1 | Confident | 78.6 | Confident | 152 Ų | 152 | 104.7 Ų | 104.7 | 71% | 0.71 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -98.3 | 162 | 179 | -53.1 | -164.4 | 15.8 | 0 | 0 | 111.9 | D10 H14 | D10-Q12 WeakPolarHBondContact OD1-CA 3.24Å; D10-Q12 VanDerWaalsContact OD1-CB 3.24Å; D10-Q12 WeakPolarHBondContact OD1-CB 3.43Å; D10-Q12 PolarHBondContact OD1-N 3.06Å; Q12-H14 PolarHBondContact O-CD2 3.32Å; Q12-H14 VanDerWaalsContact O-CD2 3.32Å |
| 13 | E | 89.9 | Confident | 81.2 | Confident | 195 Ų | 195 | 100.9 Ų | 100.9 | 91% | 0.911 | 55% | 0.545 | S | S | * | . | trans | -83.8 | 123.9 | 173.5 | -173.6 | 177.5 | 178.7 | 0 | 0 | 110 | ||||
| 14 | H | 90.6 | Very high | 83.4 | Confident | 60 Ų | 60 | 106.3 Ų | 106.3 | 28% | 0.278 | 55% | 0.548 | S | S | . | . | trans | -116.7 | 135.6 | 179.9 | -66.5 | -86.1 | 0 | 0 | 0 | 111.1 | D10 Q12 L16 Y97 | D10-H14 VanDerWaalsContact CG-NE2 3.31Å; D10-H14 IonicContact OD1-CD2 2.91Å; D10-H14 IonicContact OD1-CE1 3.08Å; D10-H14 IonicContact OD1-NE2 3.33Å; D10-H14 PolarHBondContact OD1-NE2 2.83Å; D10-H14 IonicContact OD2-CE1 2.83Å; D10-H14 PolarHBondContact OD2-CE1 3.46Å; D10-H14 IonicContact OD2-NE2 2.83Å; D10-H14 PolarHBondContact OD2-NE2 2.93Å; Q12-H14 PolarHBondContact O-CD2 3.32Å; Q12-H14 VanDerWaalsContact O-CD2 3.32Å; H14-L16 PolarHBondContact O-N 3.48Å; H14-L16 VanDerWaalsContact O-N 3.14Å; H14-Y97 HydrophobicContact CB-CD1 4.38Å; H14-Y97 HydrophobicContact CB-CD2 3.43Å; H14-Y97 VanDerWaalsContact CB-CD2 3.43Å; H14-Y97 HydrophobicContact CB-CE2 3.6Å; H14-Y97 HydrophobicContact CB-CG 3.86Å; H14-Y97 AromaticContact CD2-CE2 3.59Å; H14-Y97 AromaticContact CD2-CZ 3.63Å; H14-Y97 AromaticContact CE1-CE2 3.75Å; H14-Y97 AromaticContact CG-CD2 3.6Å; H14-Y97 AromaticContact CG-CE2 3.2Å; H14-Y97 AromaticContact CG-CZ 3.72Å; H14-Y97 AromaticContact ND1-CD2 3.81Å; H14-Y97 AromaticContact ND1-CE2 3.33Å; H14-Y97 VanDerWaalsContact ND1-CE2 3.33Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.4Å; H14-Y97 AromaticContact NE2-CE2 3.89Å | ||
| 15 | V | 94.4 | Very high | 85.5 | Confident | 124 Ų | 124 | 107.2 Ų | 107.2 | 75% | 0.752 | 54% | 0.543 | S | S | * | . | trans | -71.9 | 108.9 | -179.5 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | K17 | V15-K17 PolarHBondContact O-N 3.4Š| ||
| 16 | L | 96 | Very high | 87.4 | Confident | 94 Ų | 94 | 106.1 Ų | 106.1 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 112 | 177.1 | -173.6 | 65.1 | 0 | 0 | 0 | 111.2 | H14 L88 L99 | H14-L16 PolarHBondContact O-N 3.48Å; H14-L16 VanDerWaalsContact O-N 3.14Å; L16-L88 HydrophobicContact CD1-CD1 3.55Å; L16-L99 HydrophobicContact CD1-CB 4.12Å; L16-L99 HydrophobicContact CD2-CB 4.49Å; L16-L99 HydrophobicContact CG-CB 4.41Å |
| 17 | K | 96.6 | Very high | 89.1 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 142.7 | 172.5 | -57.6 | -174.3 | -168.9 | 176.5 | 0 | 110.4 | V15 E96 Y97 R98 L99 | V15-K17 PolarHBondContact O-N 3.4Å; K17-E96 HydrophobicContact CD-CG 3.98Å; K17-E96 IonicContact NZ-OE2 3.88Å; K17-E96 PolarHBondContact NZ-OE2 3.29Å; K17-Y97 PolarHBondContact N-O 2.98Å; K17-R98 HydrophobicContact CB-CG 4.42Å; K17-R98 CarbonylContact O-C 3.57Å; K17-R98 WeakPolarHBondContact O-CA 3.4Å; K17-L99 PolarHBondContact O-N 3.3Å |
| 18 | L | 96.5 | Very high | 90.5 | Very high | 108 Ų | 108 | 101.1 Ų | 101.1 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130 | 165.3 | -59.1 | -177.6 | 0 | 0 | 0 | 108.8 | F22 L99 | L18-F22 HydrophobicContact CB-CB 3.93Å; L18-F22 HydrophobicContact CB-CD2 4.02Å; L18-F22 HydrophobicContact CB-CG 3.9Å; L18-F22 HydrophobicContact CD1-CB 4.39Å; L18-F22 HydrophobicContact CD1-CD1 4.01Å; L18-F22 HydrophobicContact CD1-CG 4.2Å; L18-F22 HydrophobicContact CD2-CD1 4.22Å; L18-F22 HydrophobicContact CD2-CD2 4.26Å; L18-F22 HydrophobicContact CD2-CE1 4.16Å; L18-F22 HydrophobicContact CD2-CE2 4.18Å; L18-F22 HydrophobicContact CD2-CG 4.28Å; L18-F22 HydrophobicContact CD2-CZ 4.14Å; L18-F22 HydrophobicContact CG-CD1 4.48Å; L18-F22 HydrophobicContact CG-CG 4.35Å; L18-L99 HydrophobicContact CD2-CB 4.14Å; L18-L99 HydrophobicContact CD2-CD2 4.08Å |
| 19 | G | 94.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 98.1 Ų | 98.1 | 9% | 0.093 | 49% | 0.493 | C | S | . | . | trans | -85.3 | -176.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T21 F22 L99 E100 | G19-T21 PolarHBondContact O-N 3.41Å; G19-F22 WeakPolarHBondContact O-CB 3.33Å; G19-F22 PolarHBondContact O-N 3.41Å; G19-L99 PolarHBondContact N-O 3.45Å; G19-E100 VanDerWaalsContact C-OE2 3.28Å; G19-E100 WeakPolarHBondContact CA-OE2 3.41Å | ||
| 20 | E | 95.1 | Very high | 92.5 | Very high | 67 Ų | 67 | 96.2 Ų | 96.2 | 31% | 0.313 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -57.5 | -28.1 | -172.7 | -65.3 | -162 | 132.5 | 0 | 0 | 113.4 | F22 E23 K27 S28 E100 | E20-F22 PolarHBondContact O-N 3.18Å; E20-F22 VanDerWaalsContact O-N 3.14Å; E20-E23 VanDerWaalsContact O-CB 3.26Å; E20-E23 WeakPolarHBondContact O-CB 3.42Å; E20-E23 WeakPolarHBondContact O-CG 3.38Å; E20-E23 PolarHBondContact O-N 3.4Å; E20-K27 IonicContact OE1-NZ 3.66Å; E20-K27 PolarHBondContact OE1-NZ 3.1Å; E20-S28 PolarHBondContact OE2-OG 3.5Å; E20-E100 PolarHBondContact N-OE2 2.9Å |
| 21 | T | 95.3 | Very high | 93.1 | Very high | 9 Ų | 9 | 96.2 Ų | 96.2 | 6% | 0.055 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -65 | -13.1 | 176.3 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | G19 Y30 E100 K101 | G19-T21 PolarHBondContact O-N 3.41Å; T21-Y30 HydrophobicContact CG2-CD2 3.75Å; T21-Y30 HydrophobicContact CG2-CE2 3.96Å; T21-E100 WeakPolarHBondContact CB-OE2 3.45Å; T21-E100 WeakPolarHBondContact CG2-OE2 3.32Å; T21-E100 PolarHBondContact N-OE2 3.33Å; T21-E100 VanDerWaalsContact N-OE2 3.13Å; T21-E100 VanDerWaalsContact OG1-CA 3.27Å; T21-E100 WeakPolarHBondContact OG1-CA 3.36Å; T21-E100 PolarHBondContact OG1-OE2 3.37Å; T21-K101 WeakPolarHBondContact O-CD 3.25Å; T21-K101 VanDerWaalsContact O-CE 3.24Å; T21-K101 WeakPolarHBondContact O-CE 3.4Å; T21-K101 PolarHBondContact O-NZ 3.34Å; T21-K101 PolarHBondContact OG1-N 2.77Å |
| 22 | F | 94.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 89.4 Ų | 89.4 | 30% | 0.303 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -88.7 | -11 | 171.4 | -72.1 | -95.7 | 0 | 0 | 0 | 113.8 | L18 G19 E20 L99 K101 | L18-F22 HydrophobicContact CB-CB 3.93Å; L18-F22 HydrophobicContact CB-CD2 4.02Å; L18-F22 HydrophobicContact CB-CG 3.9Å; L18-F22 HydrophobicContact CD1-CB 4.39Å; L18-F22 HydrophobicContact CD1-CD1 4.01Å; L18-F22 HydrophobicContact CD1-CG 4.2Å; L18-F22 HydrophobicContact CD2-CD1 4.22Å; L18-F22 HydrophobicContact CD2-CD2 4.26Å; L18-F22 HydrophobicContact CD2-CE1 4.16Å; L18-F22 HydrophobicContact CD2-CE2 4.18Å; L18-F22 HydrophobicContact CD2-CG 4.28Å; L18-F22 HydrophobicContact CD2-CZ 4.14Å; L18-F22 HydrophobicContact CG-CD1 4.48Å; L18-F22 HydrophobicContact CG-CG 4.35Å; G19-F22 WeakPolarHBondContact O-CB 3.33Å; G19-F22 PolarHBondContact O-N 3.41Å; E20-F22 PolarHBondContact O-N 3.18Å; E20-F22 VanDerWaalsContact O-N 3.14Å; F22-L99 HydrophobicContact CE2-CB 4.36Å; F22-L99 HydrophobicContact CE2-CD2 4.21Å; F22-L99 HydrophobicContact CE2-CG 4.19Å; F22-L99 WeakPolarHBondContact CE2-O 3.49Å; F22-L99 HydrophobicContact CZ-CD2 3.77Å; F22-L99 HydrophobicContact CZ-CG 4.21Å; F22-K101 VanDerWaalsContact CD1-CE 3.4Å; F22-K101 HydrophobicContact CD1-CG 4.41Å; F22-K101 HydrophobicContact CD2-CG 4.1Å; F22-K101 HydrophobicContact CE1-CD 4.43Å; F22-K101 HydrophobicContact CE1-CG 4.01Å; F22-K101 HydrophobicContact CE2-CG 3.66Å; F22-K101 HydrophobicContact CG-CG 4.45Å; F22-K101 HydrophobicContact CZ-CD 4.49Å; F22-K101 HydrophobicContact CZ-CG 3.6Å |
| 23 | E | 94.9 | Very high | 94 | Very high | 88 Ų | 88 | 84.8 Ų | 84.8 | 41% | 0.411 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -63.9 | 160.5 | 173.9 | -65.5 | -179.1 | -171.4 | 0 | 0 | 112.3 | E20 H25 K27 | E20-E23 VanDerWaalsContact O-CB 3.26Å; E20-E23 WeakPolarHBondContact O-CB 3.42Å; E20-E23 WeakPolarHBondContact O-CG 3.38Å; E20-E23 PolarHBondContact O-N 3.4Å; E23-H25 VanDerWaalsContact C-N 3.26Å; E23-H25 PolarHBondContact O-N 2.79Å; E23-K27 IonicContact OE1-NZ 2.7Å; E23-K27 PolarHBondContact OE1-NZ 2.79Å; E23-K27 IonicContact OE2-NZ 3.05Å; E23-K27 PolarHBondContact OE2-NZ 3.05Å |
| 24 | K | 93.4 | Very high | 94.3 | Very high | 185 Ų | 185 | 81.6 Ų | 81.6 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -64.9 | -29.1 | 175.3 | -174 | 179.7 | 172.1 | 178.8 | 0 | 112.9 | ||
| 25 | H | 92.9 | Very high | 94.4 | Very high | 139 Ų | 139 | 83.6 Ų | 83.6 | 64% | 0.644 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -134.7 | 74.9 | -178.7 | -48.8 | 123 | 0 | 0 | 0 | 109.1 | E23 K27 | E23-H25 VanDerWaalsContact C-N 3.26Å; E23-H25 PolarHBondContact O-N 2.79Å; H25-K27 PolarHBondContact O-N 3Å |
| 26 | P | 92.1 | Very high | 94.2 | Very high | 69 Ų | 69 | 82 Ų | 82 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | trans | -64.7 | 129.4 | -172.4 | 27.8 | -35.7 | 0 | 0 | 0 | 111.2 | ||||
| 27 | K | 91.4 | Very high | 93.7 | Very high | 145 Ų | 145 | 82.6 Ų | 82.6 | 63% | 0.63 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -79.9 | -22.5 | -179.5 | -49.4 | -179.8 | -156.5 | 76.1 | 0 | 112.6 | E20 E23 H25 | E20-K27 IonicContact OE1-NZ 3.66Å; E20-K27 PolarHBondContact OE1-NZ 3.1Å; E23-K27 IonicContact OE1-NZ 2.7Å; E23-K27 PolarHBondContact OE1-NZ 2.79Å; E23-K27 IonicContact OE2-NZ 3.05Å; E23-K27 PolarHBondContact OE2-NZ 3.05Å; H25-K27 PolarHBondContact O-N 3Å |
| 28 | S | 90.7 | Very high | 93.1 | Very high | 43 Ų | 43 | 86.5 Ų | 86.5 | 30% | 0.301 | 42% | 0.416 | S | S | . | . | trans | -133.4 | 158.3 | -173 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | E20 | E20-S28 PolarHBondContact OE2-OG 3.5Š| ||
| 29 | A | 92.6 | Very high | 92.6 | Very high | 47 Ų | 47 | 81.9 Ų | 81.9 | 39% | 0.388 | 39% | 0.392 | S | S | . | . | trans | -148.8 | 139 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H31 N103 | A29-H31 PolarHBondContact O-CD2 2.89Å; A29-N103 HydrophobicContact CB-CB 3.99Å | ||
| 30 | Y | 95.6 | Very high | 92.2 | Very high | 63 Ų | 63 | 86.5 Ų | 86.5 | 25% | 0.247 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.3 | 178.4 | -60.3 | -98.2 | 0 | 0 | 0 | 110.7 | T21 I87 I89 R98 E100 N103 | T21-Y30 HydrophobicContact CG2-CD2 3.75Å; T21-Y30 HydrophobicContact CG2-CE2 3.96Å; Y30-I87 HydrophobicContact CD1-CD1 3.53Å; Y30-I87 HydrophobicContact CD2-CD1 4.49Å; Y30-I87 HydrophobicContact CE1-CD1 4.05Å; Y30-I87 HydrophobicContact CG-CD1 3.76Å; Y30-I89 HydrophobicContact CE1-CD1 3.88Å; Y30-R98 PolarHBondContact OH-NH2 3.28Å; Y30-E100 HydrophobicContact CD2-CB 3.69Å; Y30-E100 HydrophobicContact CD2-CG 4.13Å; Y30-E100 HydrophobicContact CE2-CB 3.56Å; Y30-E100 HydrophobicContact CE2-CG 3.46Å; Y30-E100 VanDerWaalsContact CE2-CG 3.46Å; Y30-E100 WeakPolarHBondContact CE2-OE1 3.5Å; Y30-E100 HydrophobicContact CG-CB 4.47Å; Y30-E100 PolarHBondContact OH-OE1 3.14Å; Y30-N103 PolarHBondContact O-N 2.85Å |
| 31 | H | 95.5 | Very high | 91.9 | Very high | 77 Ų | 77 | 84.9 Ų | 84.9 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.6 | -175.3 | -64.7 | -85.8 | 0 | 0 | 0 | 109.7 | A29 N103 S104 I106 | A29-H31 PolarHBondContact O-CD2 2.89Å; H31-N103 PolarHBondContact CE1-ND2 2.8Å; H31-N103 VanDerWaalsContact CE1-ND2 3.33Å; H31-S104 WeakPolarHBondContact CA-O 3.1Å; H31-S104 WeakPolarHBondContact ND1-CB 3.45Å; H31-S104 PolarHBondContact ND1-N 2.7Å; H31-I106 HydrophobicContact CB-CD1 4.15Å |
| 32 | T | 95.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 85.8 Ų | 85.8 | 21% | 0.209 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132 | 171.4 | 57 | 0 | 0 | 0 | 0 | 109.5 | R34 Y82 L102 S104 N105 I106 | T32-R34 PolarHBondContact OG1-NH2 3.43Å; T32-Y82 HydrophobicContact CG2-CE2 4.17Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.48Å; T32-Y82 PolarHBondContact OG1-OH 3.31Å; T32-L102 HydrophobicContact CG2-CD1 3.77Å; T32-L102 HydrophobicContact CG2-CD2 3.97Å; T32-S104 PolarHBondContact N-O 3.15Å; T32-S104 VanDerWaalsContact N-O 3.07Å; T32-N105 PolarHBondContact OG1-OD1 3.3Å; T32-I106 WeakPolarHBondContact O-CB 3.33Å; T32-I106 PolarHBondContact O-N 3.04Å |
| 33 | V | 95.9 | Very high | 91.7 | Very high | 56 Ų | 56 | 83.8 Ų | 83.8 | 34% | 0.339 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.7 | 172.9 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | Y35 I60 I106 V108 | V33-Y35 HydrophobicContact CB-CE2 4.27Å; V33-Y35 HydrophobicContact CG1-CD2 4.19Å; V33-Y35 HydrophobicContact CG1-CE1 4.22Å; V33-Y35 HydrophobicContact CG1-CE2 3.59Å; V33-I60 HydrophobicContact CG1-CD1 3.6Å; V33-I106 CarbonylContact C-O 3.43Å; V33-I106 WeakPolarHBondContact CA-O 3.42Å; V33-I106 HydrophobicContact CG2-CB 4.3Å; V33-I106 HydrophobicContact CG2-CD1 4.29Å; V33-V108 HydrophobicContact CG1-CG2 4.46Å |
| 34 | R | 94.9 | Very high | 91.6 | Very high | 128 Ų | 128 | 85.5 Ų | 85.5 | 48% | 0.483 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.8 | 176.8 | -77.8 | 179.5 | -104.8 | -125.9 | -11.6 | 109.9 | T32 Y82 N105 I106 V108 | T32-R34 PolarHBondContact OG1-NH2 3.43Å; R34-Y82 PolarHBondContact NH2-OH 2.84Å; R34-N105 PolarHBondContact NE-OD1 3.25Å; R34-N105 PolarHBondContact NH2-ND2 3.29Å; R34-N105 PolarHBondContact NH2-OD1 3.2Å; R34-I106 PolarHBondContact N-O 3.05Å; R34-V108 PolarHBondContact O-N 3.39Å |
| 35 | Y | 93.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 82.5 Ų | 82.5 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 143 | 173 | -56 | -91.2 | 0 | 0 | 0 | 109.8 | V33 F37 I60 L62 F75 V108 | V33-Y35 HydrophobicContact CB-CE2 4.27Å; V33-Y35 HydrophobicContact CG1-CD2 4.19Å; V33-Y35 HydrophobicContact CG1-CE1 4.22Å; V33-Y35 HydrophobicContact CG1-CE2 3.59Å; Y35-F37 VanDerWaalsContact C-N 3.32Å; Y35-I60 HydrophobicContact CE1-CD1 4.06Å; Y35-I60 HydrophobicContact CE1-CG2 4.49Å; Y35-L62 HydrophobicContact CE1-CD1 4.46Å; Y35-F75 AromaticContact CD1-CD1 3.72Å; Y35-F75 HydrophobicContact CD1-CD1 3.72Å; Y35-F75 AromaticContact CD1-CD2 3.99Å; Y35-F75 HydrophobicContact CD1-CD2 3.99Å; Y35-F75 AromaticContact CD1-CE1 3.75Å; Y35-F75 HydrophobicContact CD1-CE1 3.75Å; Y35-F75 AromaticContact CD1-CE2 4Å; Y35-F75 HydrophobicContact CD1-CE2 4Å; Y35-F75 AromaticContact CD1-CG 3.85Å; Y35-F75 HydrophobicContact CD1-CG 3.85Å; Y35-F75 AromaticContact CD1-CZ 3.89Å; Y35-F75 HydrophobicContact CD1-CZ 3.89Å; Y35-F75 HydrophobicContact CE1-CD1 4.48Å; Y35-F75 HydrophobicContact CE1-CD2 4.01Å; Y35-F75 HydrophobicContact CE1-CE2 4.19Å; Y35-F75 HydrophobicContact CE1-CG 4.16Å; Y35-F75 HydrophobicContact CG-CE1 4.48Å; Y35-V108 HydrophobicContact CD1-CG2 3.52Å; Y35-V108 HydrophobicContact CE1-CG2 3.9Å; Y35-V108 HydrophobicContact CG-CG2 4.15Å |
| 36 | D | 90.3 | Very high | 91.7 | Very high | 90 Ų | 90 | 79.1 Ų | 79.1 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -75.8 | -20.5 | 171.6 | 66.7 | -17.5 | 0 | 0 | 0 | 113.6 | V108 K109 K110 | D36-V108 PolarHBondContact N-O 3.49Å; D36-K109 HydrophobicContact CB-CG 4.22Å; D36-K109 VanDerWaalsContact CG-CA 3.47Å; D36-K109 WeakPolarHBondContact OD1-CA 3.42Å; D36-K109 WeakPolarHBondContact OD2-CA 3.4Å; D36-K109 VanDerWaalsContact OD2-CB 3.27Å; D36-K109 WeakPolarHBondContact OD2-CB 3.35Å; D36-K109 WeakPolarHBondContact OD2-CG 3.47Å; D36-K110 PolarHBondContact OD1-N 3.16Å; D36-K110 PolarHBondContact OD2-N 2.86Å |
| 37 | F | 85.6 | Confident | 91.8 | Very high | 108 Ų | 108 | 84.8 Ų | 84.8 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | trans | -153.6 | 132.8 | -174.5 | 176.6 | -103.3 | 0 | 0 | 0 | 111 | Y35 P39 F75 K110 | Y35-F37 VanDerWaalsContact C-N 3.32Å; F37-P39 HydrophobicContact CD1-CB 4.38Å; F37-P39 HydrophobicContact CD1-CG 3.96Å; F37-P39 VanDerWaalsContact CE1-CA 3.47Å; F37-P39 HydrophobicContact CE1-CB 3.85Å; F37-P39 HydrophobicContact CE1-CG 3.94Å; F37-P39 WeakPolarHBondContact O-CD 3.48Å; F37-F75 WeakPolarHBondContact O-CE1 3.37Å; F37-F75 WeakPolarHBondContact O-CZ 3.37Å; F37-K110 HydrophobicContact CD1-CD 3.87Å; F37-K110 HydrophobicContact CE1-CD 4.24Å | ||
| 38 | K | 84.5 | Confident | 92 | Very high | 182 Ų | 182 | 80 Ų | 80 | 79% | 0.791 | 44% | 0.44 | S | S | * | . | trans | -95.7 | 112.9 | 168.1 | -174.7 | 177.6 | 179.9 | 179.6 | 0 | 109.3 | ||||
| 39 | P | 84.9 | Confident | 92.2 | Very high | 10 Ų | 10 | 83.4 Ų | 83.4 | 7% | 0.065 | 45% | 0.451 | C | S | . | . | trans | -70.7 | 142.3 | 176.6 | -12.5 | 27.3 | 0 | 0 | 0 | 111.1 | F37 S41 I42 T73 F75 K110 | F37-P39 HydrophobicContact CD1-CB 4.38Å; F37-P39 HydrophobicContact CD1-CG 3.96Å; F37-P39 VanDerWaalsContact CE1-CA 3.47Å; F37-P39 HydrophobicContact CE1-CB 3.85Å; F37-P39 HydrophobicContact CE1-CG 3.94Å; F37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-S41 PolarHBondContact O-N 3.15Å; P39-I42 HydrophobicContact CB-CD1 4.19Å; P39-I42 HydrophobicContact CB-CG1 3.96Å; P39-I42 HydrophobicContact CG-CD1 3.81Å; P39-I42 HydrophobicContact CG-CG1 3.78Å; P39-T73 HydrophobicContact CG-CG2 3.96Å; P39-F75 HydrophobicContact CG-CZ 4Å; P39-K110 HydrophobicContact CG-CD 4.48Å | ||
| 40 | A | 86.6 | Confident | 92.4 | Very high | 107 Ų | 107 | 86 Ų | 86 | 88% | 0.884 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 41 | S | 88.6 | Confident | 92.4 | Very high | 32 Ų | 32 | 87.8 Ų | 87.8 | 22% | 0.224 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.1 | -173.3 | 61.1 | 0 | 0 | 0 | 0 | 115.1 | P39 D43 N64 L65 | P39-S41 PolarHBondContact O-N 3.15Å; S41-D43 PolarHBondContact O-N 3.47Å; S41-N64 CarbonylContact O-C 3.59Å; S41-N64 WeakPolarHBondContact O-CA 3.27Å; S41-N64 WeakPolarHBondContact O-CB 3.15Å; S41-N64 PolarHBondContact O-OD1 2.94Å; S41-N64 PolarHBondContact OG-OD1 3.44Å; S41-L65 PolarHBondContact O-N 3.13Å |
| 42 | I | 93.1 | Very high | 92.4 | Very high | 29 Ų | 29 | 88.3 Ų | 88.3 | 15% | 0.149 | 48% | 0.477 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 129.9 | -178.5 | -62.5 | -54.2 | 0 | 0 | 0 | 109.8 | P39 T44 L62 | P39-I42 HydrophobicContact CB-CD1 4.19Å; P39-I42 HydrophobicContact CB-CG1 3.96Å; P39-I42 HydrophobicContact CG-CD1 3.81Å; P39-I42 HydrophobicContact CG-CG1 3.78Å; I42-T44 HydrophobicContact CG2-CG2 4.32Å; I42-L62 HydrophobicContact CD1-CB 3.75Å; I42-L62 HydrophobicContact CD1-CD1 4.15Å; I42-L62 HydrophobicContact CG1-CD1 4.4Å; I42-L62 HydrophobicContact CG2-CB 4.39Å; I42-L62 HydrophobicContact CG2-CD1 4.34Å |
| 43 | D | 93.1 | Very high | 92.3 | Very high | 27 Ų | 27 | 88.6 Ų | 88.6 | 14% | 0.144 | 49% | 0.486 | C | S | . | . | trans | -78.7 | 121.7 | 164.6 | -174.1 | -3.9 | 0 | 0 | 0 | 109 | S41 T45 C46 P63 L65 | S41-D43 PolarHBondContact O-N 3.47Å; D43-T45 WeakPolarHBondContact OD1-CA 3.42Å; D43-T45 WeakPolarHBondContact OD1-CB 3.38Å; D43-T45 PolarHBondContact OD1-N 2.67Å; D43-T45 PolarHBondContact OD1-OG1 3.44Å; D43-T45 PolarHBondContact OD2-OG1 2.85Å; D43-C46 PolarHBondContact OD2-SG 3.28Å; D43-P63 HydrophobicContact CB-CB 4.48Å; D43-P63 HydrophobicContact CB-CG 4.41Å; D43-P63 PolarHBondContact N-O 2.93Å; D43-L65 HydrophobicContact CB-CD2 3.85Å; D43-L65 HydrophobicContact CB-CG 4.28Å | ||
| 44 | T | 92.8 | Very high | 92.1 | Very high | 123 Ų | 123 | 95.2 Ų | 95.2 | 76% | 0.755 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -97.4 | 4.7 | 177.8 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | I42 | I42-T44 HydrophobicContact CG2-CG2 4.32Š|
| 45 | T | 94.6 | Very high | 91.9 | Very high | 122 Ų | 122 | 92.5 Ų | 92.5 | 75% | 0.748 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -97.1 | -23.3 | 174.9 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | D43 | D43-T45 WeakPolarHBondContact OD1-CA 3.42Å; D43-T45 WeakPolarHBondContact OD1-CB 3.38Å; D43-T45 PolarHBondContact OD1-N 2.67Å; D43-T45 PolarHBondContact OD1-OG1 3.44Å; D43-T45 PolarHBondContact OD2-OG1 2.85Å |
| 46 | C | 93.4 | Very high | 91.9 | Very high | 69 Ų | 69 | 91.3 Ų | 91.3 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -93.3 | 149.9 | 173.4 | -68.7 | 0 | 0 | 0 | 0 | 112 | D43 P63 | D43-C46 PolarHBondContact OD2-SG 3.28Å; C46-P63 HydrophobicContact CB-CB 4.14Å; C46-P63 HydrophobicContact CB-CG 3.5Å |
| 47 | E | 95.2 | Very high | 92.2 | Very high | 188 Ų | 188 | 93.2 Ų | 93.2 | 88% | 0.879 | 53% | 0.527 | S | S | * | . | trans | -72.3 | 154.9 | 176.8 | -63.5 | -171.7 | 156 | 0 | 0 | 112.5 | P63 | E47-P63 WeakPolarHBondContact O-CD 3.35Å; E47-P63 WeakPolarHBondContact O-CG 3.24Å | ||
| 48 | G | 94.3 | Very high | 92.8 | Very high | 44 Ų | 44 | 88.1 Ų | 88.1 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | trans | -118.6 | 146.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T61 | G48-T61 CarbonylContact C-O 3.56Å; G48-T61 WeakPolarHBondContact CA-O 3.45Å | ||
| 49 | E | 95.9 | Very high | 93.4 | Very high | 115 Ų | 115 | 80.5 Ų | 80.5 | 54% | 0.537 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 141.6 | -177.7 | 179.9 | 178.9 | -127.1 | 0 | 0 | 111.6 | E51 I60 T61 | E49-E51 HydrophobicContact CG-CG 4.46Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.32Å; E49-I60 WeakPolarHBondContact O-CA 3.45Å; E49-T61 PolarHBondContact N-O 2.87Å; E49-T61 PolarHBondContact O-N 2.87Å |
| 50 | L | 96 | Very high | 93.9 | Very high | 101 Ų | 101 | 80.4 Ų | 80.4 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 105.7 | 178.7 | 171.7 | 65 | 0 | 0 | 0 | 109.5 | V58 I60 | L50-V58 HydrophobicContact CD1-CG1 3.43Å; L50-V58 VanDerWaalsContact CD1-CG1 3.43Å; L50-I60 HydrophobicContact CD1-CD1 4.14Å; L50-I60 HydrophobicContact CD1-CG1 3.77Å |
| 51 | E | 96.2 | Very high | 94.4 | Very high | 100 Ų | 100 | 76.7 Ų | 76.7 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.5 | 173.6 | -56.3 | -176.4 | 115 | 0 | 0 | 111 | E49 V58 T59 | E49-E51 HydrophobicContact CG-CG 4.46Å; E51-V58 WeakPolarHBondContact O-CA 3.27Å; E51-T59 PolarHBondContact N-O 2.84Å; E51-T59 PolarHBondContact O-N 2.82Å; E51-T59 WeakPolarHBondContact OE2-CB 3.48Å; E51-T59 PolarHBondContact OE2-OG1 2.91Å |
| 52 | V | 94.6 | Very high | 94.7 | Very high | 88 Ų | 88 | 76.8 Ų | 76.8 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 107.2 | 166 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | V58 | V52-V58 HydrophobicContact CG2-CG2 4.47Å |
| 53 | G | 93.4 | Very high | 94.8 | Very high | 40 Ų | 40 | 76.7 Ų | 76.7 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | trans | -86.8 | -179.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q57 | G53-Q57 PolarHBondContact N-O 3.26Š| ||
| 54 | K | 92.7 | Very high | 94.8 | Very high | 195 Ų | 195 | 76.3 Ų | 76.3 | 85% | 0.848 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -61.6 | 144.7 | 174.3 | -65 | -177.9 | -179.7 | 179.4 | 0 | 110.8 | ||
| 55 | G | 91.8 | Very high | 94.8 | Very high | 72 Ų | 72 | 74.3 Ų | 74.3 | 74% | 0.742 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | 67.9 | 36.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q57 | G55-Q57 PolarHBondContact O-N 3.35Å; G55-Q57 VanDerWaalsContact O-N 3.11Å |
| 56 | E | 93.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 78.2 Ų | 78.2 | 36% | 0.355 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | 62.4 | 14.6 | 177 | -53 | -74.5 | -130.2 | 0 | 0 | 115.1 | S78 K79 | E56-S78 CarbonylContact O-C 3.57Å; E56-S78 WeakPolarHBondContact O-CA 3.22Å; E56-S78 WeakPolarHBondContact O-CB 3.28Å; E56-K79 HydrophobicContact CB-CG 4.06Å; E56-K79 HydrophobicContact CG-CG 4.49Å; E56-K79 PolarHBondContact O-N 2.91Å; E56-K79 IonicContact OE1-NZ 2.67Å; E56-K79 PolarHBondContact OE1-NZ 2.79Å; E56-K79 WeakPolarHBondContact OE2-CE 3.43Å; E56-K79 IonicContact OE2-NZ 3.5Å; E56-K79 PolarHBondContact OE2-NZ 2.91Å |
| 57 | Q | 96.2 | Very high | 94.3 | Very high | 130 Ų | 130 | 79.1 Ų | 79.1 | 61% | 0.607 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 143.3 | 173.5 | -64.4 | -174.1 | 25.4 | 0 | 0 | 110.7 | G53 G55 G77 | G53-Q57 PolarHBondContact N-O 3.26Å; G55-Q57 PolarHBondContact O-N 3.35Å; G55-Q57 VanDerWaalsContact O-N 3.11Å; Q57-G77 WeakPolarHBondContact CA-O 3.33Å |
| 58 | V | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.9 | 177.7 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | L50 E51 V52 I60 K76 G77 K79 I106 | L50-V58 HydrophobicContact CD1-CG1 3.43Å; L50-V58 VanDerWaalsContact CD1-CG1 3.43Å; E51-V58 WeakPolarHBondContact O-CA 3.27Å; V52-V58 HydrophobicContact CG2-CG2 4.47Å; V58-I60 HydrophobicContact CG1-CG1 4.13Å; V58-K76 WeakPolarHBondContact O-CA 3.44Å; V58-G77 PolarHBondContact N-O 2.9Å; V58-G77 PolarHBondContact O-N 3.34Å; V58-K79 HydrophobicContact CG2-CB 4.26Å; V58-I106 HydrophobicContact CB-CG2 3.94Å; V58-I106 HydrophobicContact CG1-CG2 3.85Å; V58-I106 HydrophobicContact CG2-CG2 3.96Å |
| 59 | T | 97 | Very high | 93.5 | Very high | 21 Ų | 21 | 76.5 Ų | 76.5 | 13% | 0.129 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.4 | 168.2 | -50 | 0 | 0 | 0 | 0 | 108.4 | E51 V74 F75 K76 | E51-T59 PolarHBondContact N-O 2.84Å; E51-T59 PolarHBondContact O-N 2.82Å; E51-T59 WeakPolarHBondContact OE2-CB 3.48Å; E51-T59 PolarHBondContact OE2-OG1 2.91Å; T59-V74 HydrophobicContact CG2-CG1 3.72Å; T59-F75 WeakPolarHBondContact CA-O 3.43Å; T59-K76 HydrophobicContact CG2-CG 4.18Å |
| 60 | I | 96.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 118.7 | 169.2 | -49.6 | -175.2 | 0 | 0 | 0 | 108.2 | V33 Y35 E49 L50 V58 L62 V74 F75 V108 | V33-I60 HydrophobicContact CG1-CD1 3.6Å; Y35-I60 HydrophobicContact CE1-CD1 4.06Å; Y35-I60 HydrophobicContact CE1-CG2 4.49Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.32Å; E49-I60 WeakPolarHBondContact O-CA 3.45Å; L50-I60 HydrophobicContact CD1-CD1 4.14Å; L50-I60 HydrophobicContact CD1-CG1 3.77Å; V58-I60 HydrophobicContact CG1-CG1 4.13Å; I60-L62 HydrophobicContact CG2-CD2 3.81Å; I60-L62 HydrophobicContact CG2-CG 4.09Å; I60-V74 CarbonylContact O-C 3.52Å; I60-V74 WeakPolarHBondContact O-CA 3.33Å; I60-F75 HydrophobicContact CB-CB 4.34Å; I60-F75 PolarHBondContact N-O 2.8Å; I60-F75 PolarHBondContact O-N 3.01Å; I60-V108 HydrophobicContact CD1-CG1 4.1Å; I60-V108 HydrophobicContact CD1-CG2 4.27Å; I60-V108 HydrophobicContact CG1-CG1 4.39Å |
| 61 | T | 95.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 72.8 Ų | 72.8 | 18% | 0.178 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.2 | 178.4 | -56.5 | 0 | 0 | 0 | 0 | 108.6 | G48 E49 V72 V74 | G48-T61 CarbonylContact C-O 3.56Å; G48-T61 WeakPolarHBondContact CA-O 3.45Å; E49-T61 PolarHBondContact N-O 2.87Å; E49-T61 PolarHBondContact O-N 2.87Å; T61-V72 HydrophobicContact CG2-CB 3.89Å; T61-V72 HydrophobicContact CG2-CG1 4.01Å; T61-V72 HydrophobicContact CG2-CG2 4.13Å; T61-V74 HydrophobicContact CG2-CG2 4.2Å |
| 62 | L | 94.9 | Very high | 92.8 | Very high | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.178 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 136.1 | 177.7 | -58.2 | -175.6 | 0 | 0 | 0 | 110.3 | Y35 I42 I60 V72 T73 F75 | Y35-L62 HydrophobicContact CE1-CD1 4.46Å; I42-L62 HydrophobicContact CD1-CB 3.75Å; I42-L62 HydrophobicContact CD1-CD1 4.15Å; I42-L62 HydrophobicContact CG1-CD1 4.4Å; I42-L62 HydrophobicContact CG2-CB 4.39Å; I42-L62 HydrophobicContact CG2-CD1 4.34Å; I60-L62 HydrophobicContact CG2-CD2 3.81Å; I60-L62 HydrophobicContact CG2-CG 4.09Å; L62-V72 CarbonylContact O-C 3.53Å; L62-V72 WeakPolarHBondContact O-CA 3.26Å; L62-T73 PolarHBondContact N-O 2.82Å; L62-T73 PolarHBondContact O-N 2.71Å; L62-F75 HydrophobicContact CD1-CE2 4.1Å |
| 63 | P | 95.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 67 Ų | 67 | 18% | 0.175 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 147.9 | 173.5 | 26.9 | -32.8 | 0 | 0 | 0 | 111.4 | D43 C46 E47 | D43-P63 HydrophobicContact CB-CB 4.48Å; D43-P63 HydrophobicContact CB-CG 4.41Å; D43-P63 PolarHBondContact N-O 2.93Å; C46-P63 HydrophobicContact CB-CB 4.14Å; C46-P63 HydrophobicContact CB-CG 3.5Å; E47-P63 WeakPolarHBondContact O-CD 3.35Å; E47-P63 WeakPolarHBondContact O-CG 3.24Å |
| 64 | N | 93.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 67 Ų | 67 | 10% | 0.102 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -103 | 152.5 | 167 | -66.1 | -48.4 | 0 | 0 | 0 | 110.5 | S41 A70 P71 V72 T73 | S41-N64 CarbonylContact O-C 3.59Å; S41-N64 WeakPolarHBondContact O-CA 3.27Å; S41-N64 WeakPolarHBondContact O-CB 3.15Å; S41-N64 PolarHBondContact O-OD1 2.94Å; S41-N64 PolarHBondContact OG-OD1 3.44Å; N64-A70 WeakPolarHBondContact CB-O 3.11Å; N64-A70 PolarHBondContact ND2-O 2.92Å; N64-P71 PolarHBondContact N-O 3.03Å; N64-V72 PolarHBondContact ND2-O 3.08Å; N64-T73 PolarHBondContact ND2-N 2.91Å; N64-T73 PolarHBondContact ND2-OG1 3.48Å; N64-T73 PolarHBondContact OD1-OG1 2.62Å |
| 65 | L | 93.6 | Very high | 92.9 | Very high | 82 Ų | 82 | 57.7 Ų | 57.7 | 43% | 0.429 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 146.4 | 171 | -63.6 | 168.2 | 0 | 0 | 0 | 111.8 | S41 D43 S68 | S41-L65 PolarHBondContact O-N 3.13Å; D43-L65 HydrophobicContact CB-CD2 3.85Å; D43-L65 HydrophobicContact CB-CG 4.28Å; L65-S68 WeakPolarHBondContact O-CB 2.97Å; L65-S68 PolarHBondContact O-N 2.81Å; L65-S68 VanDerWaalsContact O-N 3.17Å; L65-S68 PolarHBondContact O-OG 2.97Å |
| 66 | E | 90.1 | Very high | 93.1 | Very high | 203 Ų | 203 | 59.7 Ų | 59.7 | 95% | 0.949 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 145.5 | 176.3 | -62.3 | -166.9 | 146.6 | 0 | 0 | 112.5 | S68 | E66-S68 PolarHBondContact O-N 3.27Š|
| 67 | G | 86.6 | Confident | 93.3 | Very high | 89 Ų | 89 | 57.3 Ų | 57.3 | 92% | 0.918 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -3.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 68 | S | 87.5 | Confident | 93.3 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | trans | -63.2 | 151.3 | 170.4 | -65.7 | 0 | 0 | 0 | 0 | 112.5 | L65 E66 A70 | L65-S68 WeakPolarHBondContact O-CB 2.97Å; L65-S68 PolarHBondContact O-N 2.81Å; L65-S68 VanDerWaalsContact O-N 3.17Å; L65-S68 PolarHBondContact O-OG 2.97Å; E66-S68 PolarHBondContact O-N 3.27Å; S68-A70 PolarHBondContact O-N 3.07Å; S68-A70 VanDerWaalsContact O-N 3.13Å | ||
| 69 | S | 85.8 | Confident | 93.1 | Very high | 138 Ų | 138 | 55.5 Ų | 55.5 | 97% | 0.965 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -68 | -10 | -178.6 | 57.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 70 | A | 88.1 | Confident | 93.1 | Very high | 29 Ų | 29 | 62 Ų | 62 | 24% | 0.24 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -145.6 | 145.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | N64 S68 V72 | N64-A70 WeakPolarHBondContact CB-O 3.11Å; N64-A70 PolarHBondContact ND2-O 2.92Å; S68-A70 PolarHBondContact O-N 3.07Å; S68-A70 VanDerWaalsContact O-N 3.13Å; A70-V72 VanDerWaalsContact C-N 3.33Å; A70-V72 PolarHBondContact O-N 3.14Å |
| 71 | P | 90.7 | Very high | 93 | Very high | 110 Ų | 110 | 66 Ų | 66 | 71% | 0.714 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -72.3 | -24 | -176.1 | 28.7 | -35.5 | 0 | 0 | 0 | 113.6 | N64 | N64-P71 PolarHBondContact N-O 3.03Š|
| 72 | V | 93.3 | Very high | 92.9 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.6 | 179.4 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | T61 L62 N64 A70 V74 | T61-V72 HydrophobicContact CG2-CB 3.89Å; T61-V72 HydrophobicContact CG2-CG1 4.01Å; T61-V72 HydrophobicContact CG2-CG2 4.13Å; L62-V72 CarbonylContact O-C 3.53Å; L62-V72 WeakPolarHBondContact O-CA 3.26Å; N64-V72 PolarHBondContact ND2-O 3.08Å; A70-V72 VanDerWaalsContact C-N 3.33Å; A70-V72 PolarHBondContact O-N 3.14Å; V72-V74 HydrophobicContact CG2-CG2 4.23Å |
| 73 | T | 93.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.018 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.5 | 162.7 | -68.3 | 0 | 0 | 0 | 0 | 109 | P39 L62 N64 F75 K110 | P39-T73 HydrophobicContact CG-CG2 3.96Å; L62-T73 PolarHBondContact N-O 2.82Å; L62-T73 PolarHBondContact O-N 2.71Å; N64-T73 PolarHBondContact ND2-N 2.91Å; N64-T73 PolarHBondContact ND2-OG1 3.48Å; N64-T73 PolarHBondContact OD1-OG1 2.62Å; T73-F75 HydrophobicContact CG2-CD2 4.02Å; T73-F75 HydrophobicContact CG2-CE2 3.46Å; T73-F75 VanDerWaalsContact CG2-CE2 3.46Å; T73-F75 HydrophobicContact CG2-CZ 3.83Å; T73-K110 HydrophobicContact CG2-CD 3.68Å; T73-K110 HydrophobicContact CG2-CG 3.97Å; T73-K110 PolarHBondContact OG1-NZ 2.9Å; T73-K110 VanDerWaalsContact OG1-NZ 3.17Å |
| 74 | V | 94.6 | Very high | 92.1 | Very high | 39 Ų | 39 | 82 Ų | 82 | 24% | 0.236 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.9 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | T59 I60 T61 V72 K76 T111 | T59-V74 HydrophobicContact CG2-CG1 3.72Å; I60-V74 CarbonylContact O-C 3.52Å; I60-V74 WeakPolarHBondContact O-CA 3.33Å; T61-V74 HydrophobicContact CG2-CG2 4.2Å; V72-V74 HydrophobicContact CG2-CG2 4.23Å; V74-K76 HydrophobicContact CG1-CG 4.17Å; V74-T111 WeakPolarHBondContact O-CB 3.34Å; V74-T111 PolarHBondContact O-N 2.96Å; V74-T111 PolarHBondContact O-OG1 2.79Å |
| 75 | F | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 86 Ų | 86 | 0% | 0.004 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143.9 | 167 | -62.7 | -97.7 | 0 | 0 | 0 | 109.9 | Y35 F37 P39 T59 I60 L62 T73 V108 K109 K110 | Y35-F75 AromaticContact CD1-CD1 3.72Å; Y35-F75 HydrophobicContact CD1-CD1 3.72Å; Y35-F75 AromaticContact CD1-CD2 3.99Å; Y35-F75 HydrophobicContact CD1-CD2 3.99Å; Y35-F75 AromaticContact CD1-CE1 3.75Å; Y35-F75 HydrophobicContact CD1-CE1 3.75Å; Y35-F75 AromaticContact CD1-CE2 4Å; Y35-F75 HydrophobicContact CD1-CE2 4Å; Y35-F75 AromaticContact CD1-CG 3.85Å; Y35-F75 HydrophobicContact CD1-CG 3.85Å; Y35-F75 AromaticContact CD1-CZ 3.89Å; Y35-F75 HydrophobicContact CD1-CZ 3.89Å; Y35-F75 HydrophobicContact CE1-CD1 4.48Å; Y35-F75 HydrophobicContact CE1-CD2 4.01Å; Y35-F75 HydrophobicContact CE1-CE2 4.19Å; Y35-F75 HydrophobicContact CE1-CG 4.16Å; Y35-F75 HydrophobicContact CG-CE1 4.48Å; F37-F75 WeakPolarHBondContact O-CE1 3.37Å; F37-F75 WeakPolarHBondContact O-CZ 3.37Å; P39-F75 HydrophobicContact CG-CZ 4Å; T59-F75 WeakPolarHBondContact CA-O 3.43Å; I60-F75 HydrophobicContact CB-CB 4.34Å; I60-F75 PolarHBondContact N-O 2.8Å; I60-F75 PolarHBondContact O-N 3.01Å; L62-F75 HydrophobicContact CD1-CE2 4.1Å; T73-F75 HydrophobicContact CG2-CD2 4.02Å; T73-F75 HydrophobicContact CG2-CE2 3.46Å; T73-F75 VanDerWaalsContact CG2-CE2 3.46Å; T73-F75 HydrophobicContact CG2-CZ 3.83Å; F75-V108 HydrophobicContact CB-CB 3.89Å; F75-V108 HydrophobicContact CB-CG2 3.66Å; F75-V108 HydrophobicContact CD1-CG2 4.11Å; F75-V108 HydrophobicContact CG-CG2 4.12Å; F75-K109 CarbonylContact C-O 3.48Å; F75-K109 VanDerWaalsContact CA-O 3.25Å; F75-K109 WeakPolarHBondContact CA-O 3.49Å; F75-K110 HydrophobicContact CD1-CB 3.94Å; F75-K110 HydrophobicContact CE1-CB 3.71Å; F75-K110 HydrophobicContact CE1-CG 4.49Å; F75-K110 HydrophobicContact CZ-CB 4.44Å |
| 76 | K | 96.3 | Very high | 92.3 | Very high | 114 Ų | 114 | 84.7 Ų | 84.7 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145.5 | 175.4 | -70.5 | -170.5 | 174.7 | -170.2 | 0 | 111.4 | V58 T59 V74 V108 K109 | V58-K76 WeakPolarHBondContact O-CA 3.44Å; T59-K76 HydrophobicContact CG2-CG 4.18Å; V74-K76 HydrophobicContact CG1-CG 4.17Å; K76-V108 WeakPolarHBondContact O-CA 3.15Å; K76-K109 PolarHBondContact N-O 2.88Å; K76-K109 PolarHBondContact O-N 3.02Å |
| 77 | G | 96.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 77.6 Ų | 77.6 | 26% | 0.258 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | -152.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q57 V58 A107 | Q57-G77 WeakPolarHBondContact CA-O 3.33Å; V58-G77 PolarHBondContact N-O 2.9Å; V58-G77 PolarHBondContact O-N 3.34Å; G77-A107 VanDerWaalsContact CA-O 3.27Å; G77-A107 WeakPolarHBondContact CA-O 2.96Å |
| 78 | S | 96.3 | Very high | 93 | Very high | 46 Ų | 46 | 77.3 Ų | 77.3 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 157.2 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | E56 A107 | E56-S78 CarbonylContact O-C 3.57Å; E56-S78 WeakPolarHBondContact O-CA 3.22Å; E56-S78 WeakPolarHBondContact O-CB 3.28Å; S78-A107 PolarHBondContact N-O 3.49Å; S78-A107 PolarHBondContact O-N 2.8Å |
| 79 | K | 95.2 | Very high | 93.3 | Very high | 47 Ų | 47 | 78.2 Ų | 78.2 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 141.8 | 169.1 | 79.4 | 172.8 | 177.6 | 63.9 | 0 | 111.3 | E56 V58 N105 I106 | E56-K79 HydrophobicContact CB-CG 4.06Å; E56-K79 HydrophobicContact CG-CG 4.49Å; E56-K79 PolarHBondContact O-N 2.91Å; E56-K79 IonicContact OE1-NZ 2.67Å; E56-K79 PolarHBondContact OE1-NZ 2.79Å; E56-K79 WeakPolarHBondContact OE2-CE 3.43Å; E56-K79 IonicContact OE2-NZ 3.5Å; E56-K79 PolarHBondContact OE2-NZ 2.91Å; V58-K79 HydrophobicContact CG2-CB 4.26Å; K79-N105 CarbonylContact C-O 3.44Å; K79-N105 WeakPolarHBondContact CA-O 3.42Å; K79-I106 HydrophobicContact CB-CG1 3.87Å |
| 80 | R | 95 | Very high | 93.7 | Very high | 157 Ų | 157 | 73.1 Ų | 73.1 | 59% | 0.592 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.4 | 169.6 | -79.2 | -175.7 | -93.5 | 167.3 | -8.8 | 109.3 | S104 N105 | R80-S104 CarbonylContact O-C 3.6Å; R80-S104 VanDerWaalsContact O-CA 3.22Å; R80-S104 WeakPolarHBondContact O-CA 3.19Å; R80-S104 VanDerWaalsContact O-CB 3.28Å; R80-S104 WeakPolarHBondContact O-CB 3.33Å; R80-N105 PolarHBondContact N-O 2.69Å; R80-N105 PolarHBondContact O-N 3.3Å |
| 81 | P | 94.9 | Very high | 94 | Very high | 93 Ų | 93 | 74.8 Ų | 74.8 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 147 | 176.5 | -26.1 | 35 | 0 | 0 | 0 | 112.7 | N103 | P81-N103 WeakPolarHBondContact CA-O 3.34Å |
| 82 | Y | 93.5 | Very high | 93.9 | Very high | 35 Ų | 35 | 75.2 Ų | 75.2 | 14% | 0.137 | 38% | 0.381 | C | S | . | . | trans | -95.4 | 153.1 | 166.7 | -80.8 | -58.7 | 0 | 0 | 0 | 110.6 | T32 R34 E85 L102 N103 N105 | T32-Y82 HydrophobicContact CG2-CE2 4.17Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.48Å; T32-Y82 PolarHBondContact OG1-OH 3.31Å; R34-Y82 PolarHBondContact NH2-OH 2.84Å; Y82-E85 HydrophobicContact CD1-CB 4.11Å; Y82-E85 HydrophobicContact CD1-CG 4.15Å; Y82-E85 HydrophobicContact CE1-CB 4.29Å; Y82-E85 HydrophobicContact CE1-CG 4.12Å; Y82-E85 WeakPolarHBondContact CE1-OE1 3.48Å; Y82-E85 WeakPolarHBondContact CE1-OE2 3.41Å; Y82-E85 HydrophobicContact CG-CB 4.29Å; Y82-E85 PolarHBondContact OH-OE2 2.83Å; Y82-L102 WeakPolarHBondContact CB-O 3.43Å; Y82-L102 HydrophobicContact CD2-CB 3.49Å; Y82-L102 VanDerWaalsContact CD2-CB 3.49Å; Y82-L102 HydrophobicContact CE2-CB 3.72Å; Y82-L102 HydrophobicContact CE2-CD1 3.91Å; Y82-L102 HydrophobicContact CE2-CG 4.33Å; Y82-L102 HydrophobicContact CG-CB 4.23Å; Y82-N103 PolarHBondContact N-O 2.88Å; Y82-N105 HydrophobicContact CD1-CB 4.41Å; Y82-N105 HydrophobicContact CD2-CB 4.32Å; Y82-N105 HydrophobicContact CE1-CB 3.87Å; Y82-N105 HydrophobicContact CE2-CB 3.81Å | ||
| 83 | M | 85.8 | Confident | 93.9 | Very high | 187 Ų | 187 | 79.9 Ų | 79.9 | 92% | 0.921 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -107.1 | -43 | -175.9 | -61.2 | -170.6 | 77.3 | 0 | 0 | 114.1 | ||
| 84 | K | 88 | Confident | 93.8 | Very high | 204 Ų | 204 | 84.3 Ų | 84.3 | 89% | 0.887 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -144.9 | 14.9 | -177 | -64.3 | -168.4 | 177.2 | -171.8 | 0 | 113.8 | ||
| 85 | E | 95.3 | Very high | 93.6 | Very high | 102 Ų | 102 | 84.3 Ų | 84.3 | 48% | 0.477 | 44% | 0.439 | S | S | . | . | trans | -82.6 | 139.6 | 176.5 | -76.3 | -176.8 | -139.9 | 0 | 0 | 111.1 | Y82 L102 | Y82-E85 HydrophobicContact CD1-CB 4.11Å; Y82-E85 HydrophobicContact CD1-CG 4.15Å; Y82-E85 HydrophobicContact CE1-CB 4.29Å; Y82-E85 HydrophobicContact CE1-CG 4.12Å; Y82-E85 WeakPolarHBondContact CE1-OE1 3.48Å; Y82-E85 WeakPolarHBondContact CE1-OE2 3.41Å; Y82-E85 HydrophobicContact CG-CB 4.29Å; Y82-E85 PolarHBondContact OH-OE2 2.83Å; E85-L102 HydrophobicContact CB-CB 4.27Å; E85-L102 HydrophobicContact CB-CD1 4.11Å; E85-L102 PolarHBondContact O-N 3.17Å | ||
| 86 | C | 95.8 | Very high | 93.5 | Very high | 56 Ų | 56 | 86.9 Ų | 86.9 | 38% | 0.378 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 158.1 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | L99 E100 | C86-L99 HydrophobicContact CB-CD1 3.85Å; C86-L99 HydrophobicContact CB-CD2 4.35Å; C86-L99 HydrophobicContact CB-CG 3.98Å; C86-E100 CarbonylContact C-O 3.55Å; C86-E100 WeakPolarHBondContact CA-O 3.09Å; C86-E100 VanDerWaalsContact CB-O 3.27Å; C86-E100 WeakPolarHBondContact CB-O 3.33Å |
| 87 | I | 95.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 82.5 Ų | 82.5 | 28% | 0.277 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 144 | 165.3 | 56 | 175.1 | 0 | 0 | 0 | 109.8 | Y30 I89 L99 E100 L102 | Y30-I87 HydrophobicContact CD1-CD1 3.53Å; Y30-I87 HydrophobicContact CD2-CD1 4.49Å; Y30-I87 HydrophobicContact CE1-CD1 4.05Å; Y30-I87 HydrophobicContact CG-CD1 3.76Å; I87-I89 HydrophobicContact CD1-CD1 4.18Å; I87-I89 HydrophobicContact CD1-CG1 4.12Å; I87-I89 HydrophobicContact CG1-CG1 4.38Å; I87-L99 WeakPolarHBondContact O-CA 3.39Å; I87-E100 HydrophobicContact CD1-CB 4.43Å; I87-E100 HydrophobicContact CG1-CB 3.92Å; I87-E100 PolarHBondContact N-O 3.19Å; I87-E100 PolarHBondContact O-N 3.47Å; I87-L102 HydrophobicContact CG2-CD1 3.91Å; I87-L102 HydrophobicContact CG2-CD2 3.84Å; I87-L102 HydrophobicContact CG2-CG 3.89Å |
| 88 | L | 95.6 | Very high | 93.4 | Very high | 82 Ų | 82 | 85 Ų | 85 | 43% | 0.429 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.4 | 165.6 | 178.2 | 62.2 | 0 | 0 | 0 | 108 | L16 V90 Y97 | L16-L88 HydrophobicContact CD1-CD1 3.55Å; L88-V90 HydrophobicContact CD2-CG2 4.21Å; L88-V90 HydrophobicContact CG-CG2 4.01Å; L88-Y97 HydrophobicContact CD1-CD1 4.44Å; L88-Y97 HydrophobicContact CD2-CD1 4.32Å |
| 89 | I | 94.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 84.8 Ų | 84.8 | 29% | 0.292 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.6 | 172 | -56.3 | 177.3 | 0 | 0 | 0 | 106.8 | Y30 I87 R98 E100 | Y30-I89 HydrophobicContact CE1-CD1 3.88Å; I87-I89 HydrophobicContact CD1-CD1 4.18Å; I87-I89 HydrophobicContact CD1-CG1 4.12Å; I87-I89 HydrophobicContact CG1-CG1 4.38Å; I89-R98 PolarHBondContact N-O 2.79Å; I89-R98 PolarHBondContact O-N 3.37Å; I89-E100 HydrophobicContact CD1-CG 3.92Å |
| 90 | V | 94.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 82.6 Ų | 82.6 | 19% | 0.188 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.6 | 174.9 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | F9 L88 E96 Y97 | F9-V90 HydrophobicContact CE1-CG2 3.89Å; F9-V90 HydrophobicContact CZ-CG2 4.33Å; L88-V90 HydrophobicContact CD2-CG2 4.21Å; L88-V90 HydrophobicContact CG-CG2 4.01Å; V90-E96 WeakPolarHBondContact CA-O 3.27Å; V90-Y97 HydrophobicContact CB-CE1 4.45Å; V90-Y97 HydrophobicContact CG1-CD1 4.25Å; V90-Y97 HydrophobicContact CG1-CD2 4.28Å; V90-Y97 HydrophobicContact CG1-CE1 3.86Å; V90-Y97 HydrophobicContact CG1-CE2 3.89Å; V90-Y97 HydrophobicContact CG1-CG 4.45Å; V90-Y97 HydrophobicContact CG2-CD1 3.7Å; V90-Y97 HydrophobicContact CG2-CE1 3.7Å; V90-Y97 HydrophobicContact CG2-CG 4.38Å |
| 91 | N | 92.7 | Very high | 93.6 | Very high | 64 Ų | 64 | 79.1 Ų | 79.1 | 34% | 0.342 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 105.8 | 171.6 | -176.6 | -24.9 | 0 | 0 | 0 | 108.7 | D93 T94 G95 E96 | N91-D93 VanDerWaalsContact C-N 3.29Å; N91-D93 PolarHBondContact O-N 3.45Å; N91-D93 WeakPolarHBondContact OD1-CB 3.27Å; N91-D93 PolarHBondContact OD1-N 3.29Å; N91-T94 WeakPolarHBondContact CB-OG1 3.42Å; N91-T94 PolarHBondContact ND2-OG1 2.83Å; N91-T94 PolarHBondContact O-N 2.77Å; N91-T94 PolarHBondContact OD1-N 3.07Å; N91-T94 VanDerWaalsContact OD1-N 3.15Å; N91-G95 WeakPolarHBondContact O-CA 3.47Å; N91-G95 PolarHBondContact O-N 3.4Å; N91-E96 HydrophobicContact CB-CB 4.33Å; N91-E96 PolarHBondContact N-O 2.83Å; N91-E96 PolarHBondContact O-N 2.92Å |
| 92 | H | 90.1 | Very high | 93.7 | Very high | 120 Ų | 120 | 75.4 Ų | 75.4 | 56% | 0.556 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -19.9 | -179 | -60.5 | -69.4 | 0 | 0 | 0 | 113.6 | N8 | N8-H92 PolarHBondContact O-CE1 3.27Š|
| 93 | D | 92.1 | Very high | 93.7 | Very high | 160 Ų | 160 | 77.4 Ų | 77.4 | 86% | 0.856 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -29 | 177.6 | -55.6 | -45.4 | 0 | 0 | 0 | 112.1 | N91 | N91-D93 VanDerWaalsContact C-N 3.29Å; N91-D93 PolarHBondContact O-N 3.45Å; N91-D93 WeakPolarHBondContact OD1-CB 3.27Å; N91-D93 PolarHBondContact OD1-N 3.29Å |
| 94 | T | 92.3 | Very high | 94.2 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -10.6 | -178.9 | 67.2 | 0 | 0 | 0 | 0 | 114.6 | N91 E96 | N91-T94 WeakPolarHBondContact CB-OG1 3.42Å; N91-T94 PolarHBondContact ND2-OG1 2.83Å; N91-T94 PolarHBondContact O-N 2.77Å; N91-T94 PolarHBondContact OD1-N 3.07Å; N91-T94 VanDerWaalsContact OD1-N 3.15Å; T94-E96 PolarHBondContact O-N 3.37Å; T94-E96 WeakPolarHBondContact OG1-CB 3.36Å; T94-E96 PolarHBondContact OG1-N 2.83Å |
| 95 | G | 89.3 | Confident | 94.6 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 17.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114 | N91 Y97 | N91-G95 WeakPolarHBondContact O-CA 3.47Å; N91-G95 PolarHBondContact O-N 3.4Å; G95-Y97 WeakPolarHBondContact O-CD2 3.44Å |
| 96 | E | 93.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125 | -179.2 | -178.2 | 166.2 | 129.8 | 0 | 0 | 112.4 | K17 V90 N91 T94 R98 | K17-E96 HydrophobicContact CD-CG 3.98Å; K17-E96 IonicContact NZ-OE2 3.88Å; K17-E96 PolarHBondContact NZ-OE2 3.29Å; V90-E96 WeakPolarHBondContact CA-O 3.27Å; N91-E96 HydrophobicContact CB-CB 4.33Å; N91-E96 PolarHBondContact N-O 2.83Å; N91-E96 PolarHBondContact O-N 2.92Å; T94-E96 PolarHBondContact O-N 3.37Å; T94-E96 WeakPolarHBondContact OG1-CB 3.36Å; T94-E96 PolarHBondContact OG1-N 2.83Å; E96-R98 HydrophobicContact CG-CB 4.4Å; E96-R98 IonicContact OE1-NH1 3.48Å |
| 97 | Y | 95.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 55 Ų | 55 | 9% | 0.09 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111 | 170.8 | -73.5 | -111.8 | 0 | 0 | 0 | 108.7 | F9 H14 K17 L88 V90 G95 | F9-Y97 AromaticContact CD1-CE1 3.95Å; F9-Y97 HydrophobicContact CD1-CE1 3.95Å; F9-Y97 AromaticContact CE1-CE1 3.96Å; F9-Y97 HydrophobicContact CE1-CE1 3.96Å; H14-Y97 HydrophobicContact CB-CD1 4.38Å; H14-Y97 HydrophobicContact CB-CD2 3.43Å; H14-Y97 VanDerWaalsContact CB-CD2 3.43Å; H14-Y97 HydrophobicContact CB-CE2 3.6Å; H14-Y97 HydrophobicContact CB-CG 3.86Å; H14-Y97 AromaticContact CD2-CE2 3.59Å; H14-Y97 AromaticContact CD2-CZ 3.63Å; H14-Y97 AromaticContact CE1-CE2 3.75Å; H14-Y97 AromaticContact CG-CD2 3.6Å; H14-Y97 AromaticContact CG-CE2 3.2Å; H14-Y97 AromaticContact CG-CZ 3.72Å; H14-Y97 AromaticContact ND1-CD2 3.81Å; H14-Y97 AromaticContact ND1-CE2 3.33Å; H14-Y97 VanDerWaalsContact ND1-CE2 3.33Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.4Å; H14-Y97 AromaticContact NE2-CE2 3.89Å; K17-Y97 PolarHBondContact N-O 2.98Å; L88-Y97 HydrophobicContact CD1-CD1 4.44Å; L88-Y97 HydrophobicContact CD2-CD1 4.32Å; V90-Y97 HydrophobicContact CB-CE1 4.45Å; V90-Y97 HydrophobicContact CG1-CD1 4.25Å; V90-Y97 HydrophobicContact CG1-CD2 4.28Å; V90-Y97 HydrophobicContact CG1-CE1 3.86Å; V90-Y97 HydrophobicContact CG1-CE2 3.89Å; V90-Y97 HydrophobicContact CG1-CG 4.45Å; V90-Y97 HydrophobicContact CG2-CD1 3.7Å; V90-Y97 HydrophobicContact CG2-CE1 3.7Å; V90-Y97 HydrophobicContact CG2-CG 4.38Å; G95-Y97 WeakPolarHBondContact O-CD2 3.44Å |
| 98 | R | 96.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.9 | -175.8 | -167.4 | 173.1 | 83.9 | -153.4 | 3.8 | 112.1 | K17 Y30 I89 E96 E100 | K17-R98 HydrophobicContact CB-CG 4.42Å; K17-R98 CarbonylContact O-C 3.57Å; K17-R98 WeakPolarHBondContact O-CA 3.4Å; Y30-R98 PolarHBondContact OH-NH2 3.28Å; I89-R98 PolarHBondContact N-O 2.79Å; I89-R98 PolarHBondContact O-N 3.37Å; E96-R98 HydrophobicContact CG-CB 4.4Å; E96-R98 IonicContact OE1-NH1 3.48Å; R98-E100 IonicContact CZ-OE1 2.83Å; R98-E100 IonicContact NE-OE1 2.8Å; R98-E100 PolarHBondContact NE-OE1 2.89Å; R98-E100 IonicContact NH2-OE1 3.19Å; R98-E100 PolarHBondContact NH2-OE1 3.22Å; R98-E100 VanDerWaalsContact NH2-OE1 3.08Å |
| 99 | L | 96.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.4 | 174 | -163.5 | 75 | 0 | 0 | 0 | 110.6 | L16 K17 L18 G19 F22 C86 I87 | L16-L99 HydrophobicContact CD1-CB 4.12Å; L16-L99 HydrophobicContact CD2-CB 4.49Å; L16-L99 HydrophobicContact CG-CB 4.41Å; K17-L99 PolarHBondContact O-N 3.3Å; L18-L99 HydrophobicContact CD2-CB 4.14Å; L18-L99 HydrophobicContact CD2-CD2 4.08Å; G19-L99 PolarHBondContact N-O 3.45Å; F22-L99 HydrophobicContact CE2-CB 4.36Å; F22-L99 HydrophobicContact CE2-CD2 4.21Å; F22-L99 HydrophobicContact CE2-CG 4.19Å; F22-L99 WeakPolarHBondContact CE2-O 3.49Å; F22-L99 HydrophobicContact CZ-CD2 3.77Å; F22-L99 HydrophobicContact CZ-CG 4.21Å; C86-L99 HydrophobicContact CB-CD1 3.85Å; C86-L99 HydrophobicContact CB-CD2 4.35Å; C86-L99 HydrophobicContact CB-CG 3.98Å; I87-L99 WeakPolarHBondContact O-CA 3.39Å |
| 100 | E | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.4 | 176 | -61.4 | -86.8 | -154.3 | 0 | 0 | 110.3 | G19 E20 T21 Y30 C86 I87 I89 R98 | G19-E100 VanDerWaalsContact C-OE2 3.28Å; G19-E100 WeakPolarHBondContact CA-OE2 3.41Å; E20-E100 PolarHBondContact N-OE2 2.9Å; T21-E100 WeakPolarHBondContact CB-OE2 3.45Å; T21-E100 WeakPolarHBondContact CG2-OE2 3.32Å; T21-E100 PolarHBondContact N-OE2 3.33Å; T21-E100 VanDerWaalsContact N-OE2 3.13Å; T21-E100 VanDerWaalsContact OG1-CA 3.27Å; T21-E100 WeakPolarHBondContact OG1-CA 3.36Å; T21-E100 PolarHBondContact OG1-OE2 3.37Å; Y30-E100 HydrophobicContact CD2-CB 3.69Å; Y30-E100 HydrophobicContact CD2-CG 4.13Å; Y30-E100 HydrophobicContact CE2-CB 3.56Å; Y30-E100 HydrophobicContact CE2-CG 3.46Å; Y30-E100 VanDerWaalsContact CE2-CG 3.46Å; Y30-E100 WeakPolarHBondContact CE2-OE1 3.5Å; Y30-E100 HydrophobicContact CG-CB 4.47Å; Y30-E100 PolarHBondContact OH-OE1 3.14Å; C86-E100 CarbonylContact C-O 3.55Å; C86-E100 WeakPolarHBondContact CA-O 3.09Å; C86-E100 VanDerWaalsContact CB-O 3.27Å; C86-E100 WeakPolarHBondContact CB-O 3.33Å; I87-E100 HydrophobicContact CD1-CB 4.43Å; I87-E100 HydrophobicContact CG1-CB 3.92Å; I87-E100 PolarHBondContact N-O 3.19Å; I87-E100 PolarHBondContact O-N 3.47Å; I89-E100 HydrophobicContact CD1-CG 3.92Å; R98-E100 IonicContact CZ-OE1 2.83Å; R98-E100 IonicContact NE-OE1 2.8Å; R98-E100 PolarHBondContact NE-OE1 2.89Å; R98-E100 IonicContact NH2-OE1 3.19Å; R98-E100 PolarHBondContact NH2-OE1 3.22Å; R98-E100 VanDerWaalsContact NH2-OE1 3.08Å |
| 101 | K | 96.2 | Very high | 94.5 | Very high | 84 Ų | 84 | 57.8 Ų | 57.8 | 37% | 0.365 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 138.4 | 174.7 | -54.2 | 177.8 | -166.8 | 148.3 | 0 | 110.4 | T21 F22 | T21-K101 WeakPolarHBondContact O-CD 3.25Å; T21-K101 VanDerWaalsContact O-CE 3.24Å; T21-K101 WeakPolarHBondContact O-CE 3.4Å; T21-K101 PolarHBondContact O-NZ 3.34Å; T21-K101 PolarHBondContact OG1-N 2.77Å; F22-K101 VanDerWaalsContact CD1-CE 3.4Å; F22-K101 HydrophobicContact CD1-CG 4.41Å; F22-K101 HydrophobicContact CD2-CG 4.1Å; F22-K101 HydrophobicContact CE1-CD 4.43Å; F22-K101 HydrophobicContact CE1-CG 4.01Å; F22-K101 HydrophobicContact CE2-CG 3.66Å; F22-K101 HydrophobicContact CG-CG 4.45Å; F22-K101 HydrophobicContact CZ-CD 4.49Å; F22-K101 HydrophobicContact CZ-CG 3.6Å |
| 102 | L | 96.4 | Very high | 94.1 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.1 | 162.5 | -71.8 | 173.5 | 0 | 0 | 0 | 109.2 | T32 Y82 E85 I87 | T32-L102 HydrophobicContact CG2-CD1 3.77Å; T32-L102 HydrophobicContact CG2-CD2 3.97Å; Y82-L102 WeakPolarHBondContact CB-O 3.43Å; Y82-L102 HydrophobicContact CD2-CB 3.49Å; Y82-L102 VanDerWaalsContact CD2-CB 3.49Å; Y82-L102 HydrophobicContact CE2-CB 3.72Å; Y82-L102 HydrophobicContact CE2-CD1 3.91Å; Y82-L102 HydrophobicContact CE2-CG 4.33Å; Y82-L102 HydrophobicContact CG-CB 4.23Å; E85-L102 HydrophobicContact CB-CB 4.27Å; E85-L102 HydrophobicContact CB-CD1 4.11Å; E85-L102 PolarHBondContact O-N 3.17Å; I87-L102 HydrophobicContact CG2-CD1 3.91Å; I87-L102 HydrophobicContact CG2-CD2 3.84Å; I87-L102 HydrophobicContact CG2-CG 3.89Å |
| 103 | N | 94.6 | Very high | 93.1 | Very high | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -43.2 | -176.8 | -177.8 | 15.3 | 0 | 0 | 0 | 112 | A29 Y30 H31 P81 Y82 | A29-N103 HydrophobicContact CB-CB 3.99Å; Y30-N103 PolarHBondContact O-N 2.85Å; H31-N103 PolarHBondContact CE1-ND2 2.8Å; H31-N103 VanDerWaalsContact CE1-ND2 3.33Å; P81-N103 WeakPolarHBondContact CA-O 3.34Å; Y82-N103 PolarHBondContact N-O 2.88Å |
| 104 | S | 95.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 149.7 | 176 | -46.4 | 0 | 0 | 0 | 0 | 114.6 | H31 T32 R80 | H31-S104 WeakPolarHBondContact CA-O 3.1Å; H31-S104 WeakPolarHBondContact ND1-CB 3.45Å; H31-S104 PolarHBondContact ND1-N 2.7Å; T32-S104 PolarHBondContact N-O 3.15Å; T32-S104 VanDerWaalsContact N-O 3.07Å; R80-S104 CarbonylContact O-C 3.6Å; R80-S104 VanDerWaalsContact O-CA 3.22Å; R80-S104 WeakPolarHBondContact O-CA 3.19Å; R80-S104 VanDerWaalsContact O-CB 3.28Å; R80-S104 WeakPolarHBondContact O-CB 3.33Å |
| 105 | N | 95.5 | Very high | 89.2 | Confident | 31 Ų | 31 | 63 Ų | 63 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.9 | 169.2 | -177.5 | 16.5 | 0 | 0 | 0 | 109.4 | T32 R34 K79 R80 Y82 | T32-N105 PolarHBondContact OG1-OD1 3.3Å; R34-N105 PolarHBondContact NE-OD1 3.25Å; R34-N105 PolarHBondContact NH2-ND2 3.29Å; R34-N105 PolarHBondContact NH2-OD1 3.2Å; K79-N105 CarbonylContact C-O 3.44Å; K79-N105 WeakPolarHBondContact CA-O 3.42Å; R80-N105 PolarHBondContact N-O 2.69Å; R80-N105 PolarHBondContact O-N 3.3Å; Y82-N105 HydrophobicContact CD1-CB 4.41Å; Y82-N105 HydrophobicContact CD2-CB 4.32Å; Y82-N105 HydrophobicContact CE1-CB 3.87Å; Y82-N105 HydrophobicContact CE2-CB 3.81Å |
| 106 | I | 97 | Very high | 87.3 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.046 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112 | 179.1 | -50.4 | -175.6 | 0 | 0 | 0 | 107.9 | H31 T32 V33 R34 V58 K79 V108 | H31-I106 HydrophobicContact CB-CD1 4.15Å; T32-I106 WeakPolarHBondContact O-CB 3.33Å; T32-I106 PolarHBondContact O-N 3.04Å; V33-I106 CarbonylContact C-O 3.43Å; V33-I106 WeakPolarHBondContact CA-O 3.42Å; V33-I106 HydrophobicContact CG2-CB 4.3Å; V33-I106 HydrophobicContact CG2-CD1 4.29Å; R34-I106 PolarHBondContact N-O 3.05Å; V58-I106 HydrophobicContact CB-CG2 3.94Å; V58-I106 HydrophobicContact CG1-CG2 3.85Å; V58-I106 HydrophobicContact CG2-CG2 3.96Å; K79-I106 HydrophobicContact CB-CG1 3.87Å; I106-V108 HydrophobicContact CG2-CG1 3.88Å |
| 107 | A | 96.5 | Very high | 85.2 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 113.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | G77 S78 | G77-A107 VanDerWaalsContact CA-O 3.27Å; G77-A107 WeakPolarHBondContact CA-O 2.96Å; S78-A107 PolarHBondContact N-O 3.49Å; S78-A107 PolarHBondContact O-N 2.8Å |
| 108 | V | 96.5 | Very high | 83 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.024 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.3 | -174.8 | -55 | 0 | 0 | 0 | 0 | 112.4 | V33 R34 Y35 D36 I60 F75 K76 I106 | V33-V108 HydrophobicContact CG1-CG2 4.46Å; R34-V108 PolarHBondContact O-N 3.39Å; Y35-V108 HydrophobicContact CD1-CG2 3.52Å; Y35-V108 HydrophobicContact CE1-CG2 3.9Å; Y35-V108 HydrophobicContact CG-CG2 4.15Å; D36-V108 PolarHBondContact N-O 3.49Å; I60-V108 HydrophobicContact CD1-CG1 4.1Å; I60-V108 HydrophobicContact CD1-CG2 4.27Å; I60-V108 HydrophobicContact CG1-CG1 4.39Å; F75-V108 HydrophobicContact CB-CB 3.89Å; F75-V108 HydrophobicContact CB-CG2 3.66Å; F75-V108 HydrophobicContact CD1-CG2 4.11Å; F75-V108 HydrophobicContact CG-CG2 4.12Å; K76-V108 WeakPolarHBondContact O-CA 3.15Å; I106-V108 HydrophobicContact CG2-CG1 3.88Å |
| 109 | K | 95.7 | Very high | 81.1 | Confident | 144 Ų | 144 | 78 Ų | 78 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.2 | 176.6 | -66 | -168.3 | 176 | -176.9 | 0 | 111.9 | D36 F75 K76 T111 | D36-K109 HydrophobicContact CB-CG 4.22Å; D36-K109 VanDerWaalsContact CG-CA 3.47Å; D36-K109 WeakPolarHBondContact OD1-CA 3.42Å; D36-K109 WeakPolarHBondContact OD2-CA 3.4Å; D36-K109 VanDerWaalsContact OD2-CB 3.27Å; D36-K109 WeakPolarHBondContact OD2-CB 3.35Å; D36-K109 WeakPolarHBondContact OD2-CG 3.47Å; F75-K109 CarbonylContact C-O 3.48Å; F75-K109 VanDerWaalsContact CA-O 3.25Å; F75-K109 WeakPolarHBondContact CA-O 3.49Å; K76-K109 PolarHBondContact N-O 2.88Å; K76-K109 PolarHBondContact O-N 3.02Å; K109-T111 PolarHBondContact O-N 3.17Å |
| 110 | K | 93.3 | Very high | 78.8 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 34% | 0.335 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 118.6 | 176.3 | 179 | 162.7 | 175.7 | 152.8 | 0 | 110.1 | D36 F37 P39 T73 F75 | D36-K110 PolarHBondContact OD1-N 3.16Å; D36-K110 PolarHBondContact OD2-N 2.86Å; F37-K110 HydrophobicContact CD1-CD 3.87Å; F37-K110 HydrophobicContact CE1-CD 4.24Å; P39-K110 HydrophobicContact CG-CD 4.48Å; T73-K110 HydrophobicContact CG2-CD 3.68Å; T73-K110 HydrophobicContact CG2-CG 3.97Å; T73-K110 PolarHBondContact OG1-NZ 2.9Å; T73-K110 VanDerWaalsContact OG1-NZ 3.17Å; F75-K110 HydrophobicContact CD1-CB 3.94Å; F75-K110 HydrophobicContact CE1-CB 3.71Å; F75-K110 HydrophobicContact CE1-CG 4.49Å; F75-K110 HydrophobicContact CZ-CB 4.44Å |
| 111 | T | 91.2 | Very high | 76.6 | Confident | 57 Ų | 57 | 84.6 Ų | 84.6 | 35% | 0.35 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 135.2 | 170.9 | -53.3 | 0 | 0 | 0 | 0 | 108.2 | V74 K109 | V74-T111 WeakPolarHBondContact O-CB 3.34Å; V74-T111 PolarHBondContact O-N 2.96Å; V74-T111 PolarHBondContact O-OG1 2.79Å; K109-T111 PolarHBondContact O-N 3.17Å |
| 112 | R | 83.9 | Confident | 74.5 | Confident | 219 Ų | 219 | 89.8 Ų | 89.8 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 143.6 | 171 | -65.9 | -179.1 | -179.4 | 173.9 | 0.4 | 108.5 | E114 | R112-E114 PolarHBondContact O-N 2.88Š|
| 113 | A | 68.3 | Low | 72.6 | Confident | 74 Ų | 74 | 94 Ų | 94 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 124 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 114 | E | 50.8 | Low | 70.8 | Confident | 188 Ų | 188 | 95.6 Ų | 95.6 | 88% | 0.879 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 137 | 170 | -79.5 | -61.6 | 158.4 | 0 | 0 | 109.6 | R112 | R112-E114 PolarHBondContact O-N 2.88Š|
| 115 | G | 53.3 | Low | 69 | Low | 68 Ų | 68 | 101.7 Ų | 101.7 | 70% | 0.701 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.8 | -9.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | S117 | G115-S117 VanDerWaalsContact C-N 3.25Å; G115-S117 PolarHBondContact O-N 2.92Å |
| 116 | S | 49.4 | Very low | 67.1 | Low | 106 Ų | 106 | 106.2 Ų | 106.2 | 74% | 0.741 | 55% | 0.547 | S | S | * | . | trans | -70.9 | -18.8 | 175.1 | -175.5 | 0 | 0 | 0 | 0 | 113.8 | K118 | S116-K118 PolarHBondContact O-N 2.9Š| ||
| 117 | S | 49.7 | Very low | 65.1 | Low | 77 Ų | 77 | 109.8 Ų | 109.8 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -76.2 | 115.4 | 179.8 | -64.4 | 0 | 0 | 0 | 0 | 112 | G115 I119 | G115-S117 VanDerWaalsContact C-N 3.25Å; G115-S117 PolarHBondContact O-N 2.92Å; S117-I119 PolarHBondContact O-N 3.17Å |
| 118 | K | 49.7 | Very low | 63.2 | Low | 189 Ų | 189 | 110.8 Ų | 110.8 | 82% | 0.822 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 17.9 | 177 | -59 | -177.6 | 179.3 | 179.7 | 0 | 115.6 | S116 | S116-K118 PolarHBondContact O-N 2.9Š|
| 119 | I | 55.2 | Low | 61.4 | Low | 137 Ų | 137 | 120.3 Ų | 120.3 | 70% | 0.703 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -41.9 | -176.1 | -54.7 | 174.7 | 0 | 0 | 0 | 109.6 | S117 S121 R122 | S117-I119 PolarHBondContact O-N 3.17Å; I119-S121 PolarHBondContact O-N 2.83Å; I119-R122 PolarHBondContact O-N 2.93Å |
| 120 | H | 48.7 | Very low | 59.4 | Low | 117 Ų | 117 | 119.9 Ų | 119.9 | 54% | 0.542 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.6 | -40 | -174.9 | -154.7 | -86.7 | 0 | 0 | 0 | 112.9 | R122 L123 E124 | H120-R122 PolarHBondContact O-N 2.9Å; H120-R122 VanDerWaalsContact O-N 3.11Å; H120-L123 WeakPolarHBondContact O-CB 3.38Å; H120-L123 PolarHBondContact O-N 2.68Å; H120-E124 IonicContact CE1-OE2 3.53Å; H120-E124 IonicContact CG-OE2 3.97Å; H120-E124 IonicContact ND1-OE2 2.81Å; H120-E124 PolarHBondContact ND1-OE2 2.9Å; H120-E124 PolarHBondContact O-N 2.84Å |
| 121 | S | 51.6 | Low | 57.5 | Low | 64 Ų | 64 | 120.3 Ų | 120.3 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.4 | -21.1 | -179.3 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | I119 Q125 | I119-S121 PolarHBondContact O-N 2.83Å; S121-Q125 WeakPolarHBondContact O-CB 3.33Å; S121-Q125 VanDerWaalsContact O-CG 3.31Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 2.93Å |
| 122 | R | 52.7 | Low | 55.8 | Low | 192 Ų | 192 | 125.5 Ų | 125.5 | 73% | 0.725 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.2 | -38.8 | 172 | -91.3 | -171.5 | 169.4 | -170.2 | -2.8 | 112.2 | I119 H120 Q125 Q126 | I119-R122 PolarHBondContact O-N 2.93Å; H120-R122 PolarHBondContact O-N 2.9Å; H120-R122 VanDerWaalsContact O-N 3.11Å; R122-Q125 PolarHBondContact O-N 3.11Å; R122-Q126 PolarHBondContact O-N 3.36Å; R122-Q126 VanDerWaalsContact O-N 3.12Å |
| 123 | L | 56.3 | Low | 54.2 | Low | 106 Ų | 106 | 123 Ų | 123 | 56% | 0.555 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.7 | -46.6 | -179.4 | -174.8 | 60.1 | 0 | 0 | 0 | 110.5 | H120 Q125 Q126 T127 | H120-L123 WeakPolarHBondContact O-CB 3.38Å; H120-L123 PolarHBondContact O-N 2.68Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; L123-Q125 PolarHBondContact O-N 2.79Å; L123-Q126 PolarHBondContact O-N 3.42Å; L123-Q126 VanDerWaalsContact O-N 3.08Å; L123-T127 PolarHBondContact O-N 3.48Å |
| 124 | E | 56.6 | Low | 53.3 | Low | 108 Ų | 108 | 127.6 Ų | 127.6 | 51% | 0.505 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66 | -33.5 | 177.4 | -68.3 | 171.1 | 110 | 0 | 0 | 112.7 | H120 Q126 T127 S128 | H120-E124 IonicContact CE1-OE2 3.53Å; H120-E124 IonicContact CG-OE2 3.97Å; H120-E124 IonicContact ND1-OE2 2.81Å; H120-E124 PolarHBondContact ND1-OE2 2.9Å; H120-E124 PolarHBondContact O-N 2.84Å; E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 3.42Å; E124-T127 WeakPolarHBondContact CA-OG1 3.01Å; E124-T127 PolarHBondContact O-OG1 3.13Å; E124-S128 VanDerWaalsContact O-CB 3.29Å; E124-S128 WeakPolarHBondContact O-CB 3.4Å; E124-S128 PolarHBondContact O-N 3.17Å; E124-S128 PolarHBondContact O-OG 3.25Å; E124-S128 VanDerWaalsContact O-OG 3.09Å |
| 125 | Q | 57.5 | Low | 53.4 | Low | 130 Ų | 130 | 128.3 Ų | 128.3 | 61% | 0.607 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.6 | -19.4 | 172.1 | -79.2 | -172.4 | -24.2 | 0 | 0 | 114.2 | S121 R122 L123 R129 | S121-Q125 WeakPolarHBondContact O-CB 3.33Å; S121-Q125 VanDerWaalsContact O-CG 3.31Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 2.93Å; R122-Q125 PolarHBondContact O-N 3.11Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; L123-Q125 PolarHBondContact O-N 2.79Å; Q125-R129 WeakPolarHBondContact O-CG 3.43Å |
| 126 | Q | 54.5 | Low | 52.7 | Low | 125 Ų | 125 | 128.5 Ų | 128.5 | 58% | 0.584 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -85.5 | -43.6 | 170.6 | -75.9 | -176.5 | -105.3 | 0 | 0 | 111.8 | R122 L123 E124 S128 R129 L130 | R122-Q126 PolarHBondContact O-N 3.36Å; R122-Q126 VanDerWaalsContact O-N 3.12Å; L123-Q126 PolarHBondContact O-N 3.42Å; L123-Q126 VanDerWaalsContact O-N 3.08Å; E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 3.42Å; Q126-S128 VanDerWaalsContact C-N 3.33Å; Q126-S128 PolarHBondContact O-N 2.8Å; Q126-R129 PolarHBondContact O-N 3.48Å; Q126-L130 PolarHBondContact O-N 3Å |
| 127 | T | 56.5 | Low | 52.1 | Low | 85 Ų | 85 | 132 Ų | 132 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -64.3 | -37.7 | 178 | 60.1 | 0 | 0 | 0 | 0 | 112 | L123 E124 R129 L130 S131 | L123-T127 PolarHBondContact O-N 3.48Å; E124-T127 WeakPolarHBondContact CA-OG1 3.01Å; E124-T127 PolarHBondContact O-OG1 3.13Å; T127-R129 VanDerWaalsContact C-N 3.27Å; T127-R129 PolarHBondContact O-N 3.22Å; T127-L130 PolarHBondContact O-N 2.8Å; T127-S131 PolarHBondContact O-N 3.18Å; T127-S131 PolarHBondContact O-OG 3.42Å |
| 128 | S | 55.8 | Low | 51.5 | Low | 59 Ų | 59 | 131.8 Ų | 131.8 | 41% | 0.413 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68.9 | -20.8 | 176.6 | 72.1 | 0 | 0 | 0 | 0 | 114.2 | E124 Q126 S131 | E124-S128 VanDerWaalsContact O-CB 3.29Å; E124-S128 WeakPolarHBondContact O-CB 3.4Å; E124-S128 PolarHBondContact O-N 3.17Å; E124-S128 PolarHBondContact O-OG 3.25Å; E124-S128 VanDerWaalsContact O-OG 3.09Å; Q126-S128 VanDerWaalsContact C-N 3.33Å; Q126-S128 PolarHBondContact O-N 2.8Å; S128-S131 PolarHBondContact O-OG 2.89Å |
| 129 | R | 58 | Low | 50.9 | Low | 205 Ų | 205 | 130.6 Ų | 130.6 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -82.2 | -34.9 | 174.2 | -77.7 | -177.8 | 177.7 | -138.5 | -1 | 112.4 | Q125 Q126 T127 | Q125-R129 WeakPolarHBondContact O-CG 3.43Å; Q126-R129 PolarHBondContact O-N 3.48Å; T127-R129 VanDerWaalsContact C-N 3.27Å; T127-R129 PolarHBondContact O-N 3.22Å |
| 130 | L | 54.1 | Low | 50 | Low | 135 Ų | 135 | 131.9 Ų | 131.9 | 71% | 0.707 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.3 | -35.1 | 177.5 | -115.8 | 66.8 | 0 | 0 | 0 | 112.8 | Q126 T127 Q132 Q133 | Q126-L130 PolarHBondContact O-N 3Å; T127-L130 PolarHBondContact O-N 2.8Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.36Å; L130-Q133 PolarHBondContact O-N 3.39Å |
| 131 | S | 54.2 | Low | 49.5 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -72.3 | -20.2 | -174.8 | 59.4 | 0 | 0 | 0 | 0 | 115 | T127 S128 | T127-S131 PolarHBondContact O-N 3.18Å; T127-S131 PolarHBondContact O-OG 3.42Å; S128-S131 PolarHBondContact O-OG 2.89Å |
| 132 | Q | 54 | Low | 48.6 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -77.7 | -16.7 | 177.8 | -71 | -168.4 | -2.3 | 0 | 0 | 114.2 | L130 M134 | L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.36Å; Q132-M134 VanDerWaalsContact C-N 3.25Å; Q132-M134 PolarHBondContact O-N 3.27Å |
| 133 | Q | 50.6 | Low | 47.7 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -75.6 | -9.2 | -175.3 | -167.6 | 164 | -16.3 | 0 | 0 | 114.1 | L130 | L130-Q133 PolarHBondContact O-N 3.39Š|
| 134 | M | 50.9 | Low | 46.6 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -105.4 | 18.4 | -170.4 | -63.8 | -62 | -75.3 | 0 | 0 | 115.3 | Q132 | Q132-M134 VanDerWaalsContact C-N 3.25Å; Q132-M134 PolarHBondContact O-N 3.27Å |
| 135 | K | 51.2 | Low | 45.5 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | trans | -148.4 | 68.9 | 179.6 | -152.9 | 155.6 | -173.3 | 170.5 | 0 | 114.4 | ||||
| 136 | G | 38.8 | Very low | 44.3 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | -140.5 | 14.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | G138 | G136-G138 PolarHBondContact O-N 2.75Š| ||
| 137 | N | 37.9 | Very low | 43.6 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | trans | -91.2 | 96.9 | 179.6 | -83.9 | 74.4 | 0 | 0 | 0 | 112.6 | ||||
| 138 | G | 35.9 | Very low | 42.4 | Very low | 73 Ų | 73 | 143 Ų | 143 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -146 | 121.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | G136 | G136-G138 PolarHBondContact O-N 2.75Š| ||
| 139 | N | 38.4 | Very low | 41.4 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -68.2 | 140.9 | -176 | -77.3 | -19.8 | 0 | 0 | 0 | 112.8 | ||||
| 140 | N | 35 | Very low | 41.3 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | -160.4 | 163.6 | 119.3 | -110.1 | -38.2 | 0 | 0 | 0 | 114.5 | |||||
| 141 | K | 39.2 | Very low | 41 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -85.7 | 150.3 | -172.9 | -57.3 | 168.6 | -179.7 | 172.3 | 0 | 112.3 | ||||
| 142 | T | 33.2 | Very low | 40.1 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 95% | 0.945 | 83% | 0.825 | S | S | * | * | -170 | 168.1 | 113.2 | 20.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 143 | S | 33.3 | Very low | 39.1 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | trans | -117.6 | 148.8 | -171.8 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 144 | T | 32.3 | Very low | 38.7 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | -170.3 | 171 | 129.5 | 15.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 145 | S | 34.2 | Very low | 38.1 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -121.1 | 150.3 | -164.6 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 146 | S | 33 | Very low | 37.6 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -155.8 | 159.7 | 150 | 57 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 147 | K | 38.3 | Very low | 38 | Very low | 209 Ų | 209 | 141.3 Ų | 141.3 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -122.9 | 132.6 | -173.8 | -65 | 174.4 | 177.3 | 176.2 | 0 | 110.9 | ||||
| 148 | S | 31.4 | Very low | 38.6 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -173.2 | 153.9 | 145.3 | 51 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 149 | S | 34.8 | Very low | 39.7 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -162.6 | 175.1 | 176.4 | -38.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 150 | P | 55.6 | Low | 40.7 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -117.9 | -142.4 | -26.8 | 42.1 | -25.1 | 0 | 0 | 0 | 107.1 | ||||
| 151 | P | 49.6 | Very low | 41.9 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -127.9 | 171.1 | -22.6 | 39.9 | -25.7 | 0 | 0 | 0 | 114.2 | ||||
| 152 | K | 33.5 | Very low | 43.3 | Very low | 173 Ų | 173 | 125.1 Ų | 125.1 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | -167.1 | 157.9 | 130.9 | -110.5 | 178.8 | 177.4 | -149.3 | 0 | 114.6 | ||||
| 153 | E | 33.1 | Very low | 45 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | 25.3 | 112.3 | 161.3 | -72.4 | 124.1 | -134.8 | 0 | 0 | 119.8 | T155 | E153-T155 PolarHBondContact O-N 3.45Š| ||
| 154 | K | 43.3 | Very low | 46.9 | Very low | 210 Ų | 210 | 121.7 Ų | 121.7 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | trans | -79.2 | 99.4 | 159.3 | -74.1 | -175.2 | 177.3 | -177.5 | 0 | 110.2 | ||||
| 155 | T | 38.4 | Very low | 49 | Very low | 127 Ų | 127 | 120 Ų | 120 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | trans | -118.8 | 93.9 | 152.7 | 49.9 | 0 | 0 | 0 | 0 | 108.1 | E153 S157 | E153-T155 PolarHBondContact O-N 3.45Å; T155-S157 PolarHBondContact O-N 3.32Å; T155-S157 VanDerWaalsContact O-N 3.17Å | ||
| 156 | S | 39.5 | Very low | 51.2 | Low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | trans | -60.8 | 116.7 | 172.7 | -54 | 0 | 0 | 0 | 0 | 108.6 | A158 | S156-A158 PolarHBondContact O-N 3.47Š| ||
| 157 | S | 47 | Very low | 53.1 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | trans | -67.2 | 104.9 | 168.6 | 53.5 | 0 | 0 | 0 | 0 | 108.4 | T155 S159 | T155-S157 PolarHBondContact O-N 3.32Å; T155-S157 VanDerWaalsContact O-N 3.17Å; S157-S159 PolarHBondContact O-N 3.34Å | ||
| 158 | A | 51.7 | Low | 55 | Low | 62 Ų | 62 | 117.4 Ų | 117.4 | 51% | 0.512 | 65% | 0.654 | S | S | . | * | trans | -54.3 | 138.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S156 D162 | S156-A158 PolarHBondContact O-N 3.47Å; A158-D162 HydrophobicContact CB-CB 4.42Å | ||
| 159 | S | 58 | Low | 57.1 | Low | 64 Ų | 64 | 116.6 Ų | 116.6 | 45% | 0.448 | 64% | 0.638 | S | S | . | * | trans | -78.2 | 146.1 | 174.4 | -65 | 0 | 0 | 0 | 0 | 108.4 | S157 M161 D162 | S157-S159 PolarHBondContact O-N 3.34Å; S159-M161 PolarHBondContact O-N 2.81Å; S159-D162 WeakPolarHBondContact CB-OD2 3.46Å; S159-D162 PolarHBondContact N-OD2 3.31Å; S159-D162 WeakPolarHBondContact O-CB 3.31Å; S159-D162 PolarHBondContact O-N 3.45Å | ||
| 160 | P | 60.5 | Low | 59 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57.3 | -14.3 | 179.3 | -28.5 | 36.3 | 0 | 0 | 0 | 115.4 | I164 | P160-I164 WeakPolarHBondContact O-CD1 3.46Å; P160-I164 WeakPolarHBondContact O-CG1 3.37Å |
| 161 | M | 59.8 | Low | 59.6 | Low | 133 Ų | 133 | 114.5 Ų | 114.5 | 66% | 0.655 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66 | -39.7 | 169.7 | -48.9 | -60.6 | -170.6 | 0 | 0 | 112.3 | S159 D163 I164 E165 | S159-M161 PolarHBondContact O-N 2.81Å; M161-D163 PolarHBondContact O-N 2.99Å; M161-I164 PolarHBondContact O-N 3.12Å; M161-E165 PolarHBondContact O-N 3.36Å |
| 162 | D | 67.8 | Low | 60.5 | Low | 68 Ų | 68 | 111.8 Ų | 111.8 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.8 | -22.4 | -175.3 | -60.8 | -58 | 0 | 0 | 0 | 112.5 | A158 S159 R166 | A158-D162 HydrophobicContact CB-CB 4.42Å; S159-D162 WeakPolarHBondContact CB-OD2 3.46Å; S159-D162 PolarHBondContact N-OD2 3.31Å; S159-D162 WeakPolarHBondContact O-CB 3.31Å; S159-D162 PolarHBondContact O-N 3.45Å; D162-R166 WeakPolarHBondContact O-CB 3.46Å; D162-R166 PolarHBondContact O-NE 3.11Å; D162-R166 PolarHBondContact O-NH2 3.3Å |
| 163 | D | 70.9 | Confident | 62.2 | Low | 87 Ų | 87 | 112.2 Ų | 112.2 | 47% | 0.465 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -89.4 | -38.4 | 176.2 | -68.1 | -36.1 | 0 | 0 | 0 | 111.5 | M161 R166 E167 | M161-D163 PolarHBondContact O-N 2.99Å; D163-R166 WeakPolarHBondContact O-CB 3.31Å; D163-R166 PolarHBondContact O-N 3Å; D163-R166 IonicContact OD1-NE 3.66Å; D163-E167 WeakPolarHBondContact O-CB 3.33Å; D163-E167 PolarHBondContact O-N 2.95Å |
| 164 | I | 72.6 | Confident | 63.8 | Low | 95 Ų | 95 | 110.1 Ų | 110.1 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.1 | -43.9 | 175.4 | -65.2 | 166.1 | 0 | 0 | 0 | 111 | P160 M161 R166 E167 L168 | P160-I164 WeakPolarHBondContact O-CD1 3.46Å; P160-I164 WeakPolarHBondContact O-CG1 3.37Å; M161-I164 PolarHBondContact O-N 3.12Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.09Å; I164-E167 PolarHBondContact O-N 3.38Å; I164-L168 HydrophobicContact CG2-CD1 3.96Å; I164-L168 WeakPolarHBondContact O-CB 3.39Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.2Å |
| 165 | E | 75.6 | Confident | 64.5 | Low | 115 Ų | 115 | 106 Ų | 106 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.2 | -37.1 | 176.1 | -173.6 | 176.2 | 169.2 | 0 | 0 | 111.7 | M161 M169 | M161-E165 PolarHBondContact O-N 3.36Å; E165-M169 HydrophobicContact CG-CE 3.98Å; E165-M169 WeakPolarHBondContact O-CB 3.5Å; E165-M169 WeakPolarHBondContact O-CG 3.39Å; E165-M169 PolarHBondContact O-N 3Å; E165-M169 WeakPolarHBondContact OE1-CE 3.35Å |
| 166 | R | 80.5 | Confident | 65.5 | Low | 152 Ų | 152 | 106 Ų | 106 | 57% | 0.574 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.7 | -38.3 | 178.4 | -169.8 | -172.6 | -43.4 | -61.6 | -18.5 | 112.6 | D162 D163 I164 A170 | D162-R166 WeakPolarHBondContact O-CB 3.46Å; D162-R166 PolarHBondContact O-NE 3.11Å; D162-R166 PolarHBondContact O-NH2 3.3Å; D163-R166 WeakPolarHBondContact O-CB 3.31Å; D163-R166 PolarHBondContact O-N 3Å; D163-R166 IonicContact OD1-NE 3.66Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 3.09Å; R166-A170 WeakPolarHBondContact O-CB 3.46Å; R166-A170 PolarHBondContact O-N 3.41Å; R166-A170 VanDerWaalsContact O-N 3.09Å |
| 167 | E | 74.1 | Confident | 66.3 | Low | 134 Ų | 134 | 108 Ų | 108 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.4 | -45.7 | 176 | -169.6 | 165.2 | -148.4 | 0 | 0 | 110.8 | D163 I164 M169 A170 E171 | D163-E167 WeakPolarHBondContact O-CB 3.33Å; D163-E167 PolarHBondContact O-N 2.95Å; I164-E167 PolarHBondContact O-N 3.38Å; E167-M169 PolarHBondContact O-N 3.44Å; E167-A170 WeakPolarHBondContact O-CA 3.36Å; E167-A170 WeakPolarHBondContact O-CB 3.47Å; E167-A170 PolarHBondContact O-N 2.98Å; E167-E171 PolarHBondContact O-N 3.17Å |
| 168 | L | 76.4 | Confident | 66.5 | Low | 106 Ų | 106 | 109.8 Ų | 109.8 | 56% | 0.555 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.7 | -42.1 | 174 | -71.8 | 167.6 | 0 | 0 | 0 | 112.8 | I164 A170 A172 | I164-L168 HydrophobicContact CG2-CD1 3.96Å; I164-L168 WeakPolarHBondContact O-CB 3.39Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.2Å; L168-A170 PolarHBondContact O-N 3.18Å; L168-A172 PolarHBondContact O-N 2.99Å |
| 169 | M | 75.5 | Confident | 66.3 | Low | 105 Ų | 105 | 111.3 Ų | 111.3 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.7 | -19.8 | 173.6 | -73.8 | -166.2 | -168.8 | 0 | 0 | 113.5 | E165 E167 R173 | E165-M169 HydrophobicContact CG-CE 3.98Å; E165-M169 WeakPolarHBondContact O-CB 3.5Å; E165-M169 WeakPolarHBondContact O-CG 3.39Å; E165-M169 PolarHBondContact O-N 3Å; E165-M169 WeakPolarHBondContact OE1-CE 3.35Å; E167-M169 PolarHBondContact O-N 3.44Å; M169-R173 WeakPolarHBondContact O-CD 3.37Å; M169-R173 WeakPolarHBondContact O-CG 3.36Å |
| 170 | A | 76.6 | Confident | 65.9 | Low | 55 Ų | 55 | 113.1 Ų | 113.1 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -80.7 | -48.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R166 E167 L168 A172 R173 V174 | R166-A170 WeakPolarHBondContact O-CB 3.46Å; R166-A170 PolarHBondContact O-N 3.41Å; R166-A170 VanDerWaalsContact O-N 3.09Å; E167-A170 WeakPolarHBondContact O-CA 3.36Å; E167-A170 WeakPolarHBondContact O-CB 3.47Å; E167-A170 PolarHBondContact O-N 2.98Å; L168-A170 PolarHBondContact O-N 3.18Å; A170-A172 PolarHBondContact O-N 3.43Å; A170-R173 PolarHBondContact O-N 3.26Å; A170-V174 PolarHBondContact O-N 3.39Å |
| 171 | E | 66.6 | Low | 64.9 | Low | 135 Ų | 135 | 113.4 Ų | 113.4 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.2 | -44.3 | 177.7 | -74.2 | -159.7 | 123.7 | 0 | 0 | 112.4 | E167 R173 V174 M175 | E167-E171 PolarHBondContact O-N 3.17Å; E171-R173 PolarHBondContact O-N 3.49Å; E171-V174 WeakPolarHBondContact O-CB 3.42Å; E171-V174 PolarHBondContact O-N 3.13Å; E171-M175 PolarHBondContact O-N 3.39Å |
| 172 | A | 69 | Low | 64.2 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 44% | 0.438 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -55.3 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L168 A170 V174 M175 D176 | L168-A172 PolarHBondContact O-N 2.99Å; A170-A172 PolarHBondContact O-N 3.43Å; A172-V174 VanDerWaalsContact C-N 3.34Å; A172-V174 PolarHBondContact O-N 3.01Å; A172-M175 PolarHBondContact O-N 3.28Å; A172-D176 PolarHBondContact O-N 3.08Å |
| 173 | R | 68.6 | Low | 63 | Low | 181 Ų | 181 | 117.2 Ų | 117.2 | 68% | 0.683 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.8 | -14.3 | 179.2 | -67.4 | 175.7 | 179.1 | -152.8 | -0.3 | 114.4 | M169 A170 E171 Q177 | M169-R173 WeakPolarHBondContact O-CD 3.37Å; M169-R173 WeakPolarHBondContact O-CG 3.36Å; A170-R173 PolarHBondContact O-N 3.26Å; E171-R173 PolarHBondContact O-N 3.49Å; R173-Q177 PolarHBondContact O-NE2 3.43Å; R173-Q177 VanDerWaalsContact O-NE2 3.13Å |
| 174 | V | 66.7 | Low | 62.3 | Low | 102 Ų | 102 | 118.2 Ų | 118.2 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -80.7 | -40.1 | 171.8 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | A170 E171 A172 Q177 | A170-V174 PolarHBondContact O-N 3.39Å; E171-V174 WeakPolarHBondContact O-CB 3.42Å; E171-V174 PolarHBondContact O-N 3.13Å; A172-V174 VanDerWaalsContact C-N 3.34Å; A172-V174 PolarHBondContact O-N 3.01Å; V174-Q177 PolarHBondContact O-N 3.18Å |
| 175 | M | 59.7 | Low | 61 | Low | 124 Ų | 124 | 119.5 Ų | 119.5 | 61% | 0.611 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.5 | -33 | -177.8 | -169 | 163.8 | 56.3 | 0 | 0 | 113.8 | E171 A172 Q177 M178 | E171-M175 PolarHBondContact O-N 3.39Å; A172-M175 PolarHBondContact O-N 3.28Å; M175-Q177 VanDerWaalsContact C-N 3.26Å; M175-Q177 PolarHBondContact O-N 3.27Å; M175-M178 HydrophobicContact CG-SD 4.41Å; M175-M178 WeakPolarHBondContact O-CG 3.29Å; M175-M178 PolarHBondContact O-N 3.02Å |
| 176 | D | 58.2 | Low | 60 | Low | 128 Ų | 128 | 121 Ų | 121 | 68% | 0.684 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -64.6 | -28.5 | 174.3 | -88.3 | -7.6 | 0 | 0 | 0 | 113 | A172 M178 | A172-D176 PolarHBondContact O-N 3.08Å; D176-M178 VanDerWaalsContact C-N 3.35Å; D176-M178 PolarHBondContact O-N 2.87Å |
| 177 | Q | 56.8 | Low | 58.2 | Low | 157 Ų | 157 | 119.7 Ų | 119.7 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -83.9 | -3.3 | -176.1 | -74.7 | -177.3 | 91.7 | 0 | 0 | 114.9 | R173 V174 M175 | R173-Q177 PolarHBondContact O-NE2 3.43Å; R173-Q177 VanDerWaalsContact O-NE2 3.13Å; V174-Q177 PolarHBondContact O-N 3.18Å; M175-Q177 VanDerWaalsContact C-N 3.26Å; M175-Q177 PolarHBondContact O-N 3.27Å |
| 178 | M | 51.2 | Low | 57.5 | Low | 150 Ų | 150 | 120.5 Ų | 120.5 | 74% | 0.739 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -96.3 | 10.9 | 171.8 | 48.7 | 172.6 | -90.2 | 0 | 0 | 113.4 | M175 D176 | M175-M178 HydrophobicContact CG-SD 4.41Å; M175-M178 WeakPolarHBondContact O-CG 3.29Å; M175-M178 PolarHBondContact O-N 3.02Å; D176-M178 VanDerWaalsContact C-N 3.35Å; D176-M178 PolarHBondContact O-N 2.87Å |
| 179 | S | 48 | Very low | 55.9 | Low | 93 Ų | 93 | 120.7 Ų | 120.7 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -114.4 | 16.9 | -170.9 | -58 | 0 | 0 | 0 | 0 | 114.9 | ||
| 180 | S | 50 | Low | 54.4 | Low | 102 Ų | 102 | 120.9 Ų | 120.9 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | -136.1 | 81.7 | -174 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 181 | S | 39.3 | Very low | 53.2 | Low | 106 Ų | 106 | 123.6 Ų | 123.6 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -152.8 | 104.8 | 160.8 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 182 | D | 44.9 | Very low | 52.1 | Low | 155 Ų | 155 | 122.1 Ų | 122.1 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | trans | 40.2 | 111.7 | 151.8 | -52.3 | -48.6 | 0 | 0 | 0 | 120.8 | ||||
| 183 | S | 42.7 | Very low | 51.1 | Low | 126 Ų | 126 | 124.4 Ų | 124.4 | 88% | 0.881 | 75% | 0.748 | S | S | * | * | -172.4 | 135.1 | 99.4 | -77.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 184 | S | 55.3 | Low | 50.1 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -94.2 | 146.9 | 176 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 185 | S | 46.2 | Very low | 49.2 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -174.8 | 132.7 | 136.8 | -80.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 186 | D | 54.3 | Low | 48.9 | Very low | 146 Ų | 146 | 122.5 Ų | 122.5 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | -81.9 | 158.6 | 178.4 | -48.2 | -98.7 | 0 | 0 | 0 | 113.5 | ||||
| 187 | S | 43.3 | Very low | 48.5 | Very low | 126 Ų | 126 | 123 Ų | 123 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | trans | -161.2 | 150.8 | 140.2 | -87.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 188 | N | 58.8 | Low | 48.1 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -108.7 | 156.7 | -165.9 | -61.1 | -90 | 0 | 0 | 0 | 112.7 | ||||
| 189 | S | 42.8 | Very low | 48.4 | Very low | 110 Ų | 110 | 118.8 Ų | 118.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 144.6 | 108.8 | 151.3 | 50 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 190 | S | 42.7 | Very low | 48.8 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | 101.9 | 127.1 | 54.9 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 191 | S | 53.1 | Low | 48.9 | Very low | 111 Ų | 111 | 120 Ų | 120 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -29.1 | 154.7 | 165.2 | 54.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 192 | S | 43 | Very low | 49.4 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -170.9 | 160.2 | 49.8 | 54.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 193 | S | 48.8 | Very low | 49.8 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 13.9 | 144.7 | 144.6 | -43.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 194 | S | 46.1 | Very low | 50 | Low | 111 Ų | 111 | 119.5 Ų | 119.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 62.2 | 147.6 | 139.3 | 51.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 195 | S | 48.4 | Very low | 50 | Low | 82 Ų | 82 | 121.8 Ų | 121.8 | 57% | 0.573 | 77% | 0.771 | S | S | * | * | cis | -171.5 | 166.6 | -14.5 | 44.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 196 | E | 52.2 | Low | 49.9 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 55.9 | 159.9 | 147.1 | 75.5 | -151.2 | 101.8 | 0 | 0 | 125.4 | ||||
| 197 | D | 50.3 | Low | 49.6 | Very low | 138 Ų | 138 | 121.4 Ų | 121.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 61.3 | 118.5 | 158.7 | -156.8 | 57 | 0 | 0 | 0 | 122.2 | ||||
| 198 | S | 49.2 | Very low | 49.3 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | 179.8 | 164 | 89.1 | -139.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 199 | S | 57.7 | Low | 48.4 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -126.3 | 161.4 | -171 | -57.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 200 | S | 56.1 | Low | 49 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | trans | -154.5 | 148.2 | 159.2 | -164.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 201 | S | 52.8 | Low | 48.7 | Very low | 93 Ų | 93 | 123.5 Ų | 123.5 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -131.9 | 170.6 | -174.4 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 202 | S | 49.1 | Very low | 47.9 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -157.7 | 115.5 | 163.5 | -72.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 203 | D | 53 | Low | 48.7 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | -91.3 | 162.7 | -177.3 | -64.9 | -72.4 | 0 | 0 | 0 | 113.1 | ||||
| 204 | S | 47.7 | Very low | 48.8 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -159.8 | 100.1 | 156.4 | -74.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 205 | E | 55 | Low | 48.4 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | trans | -36.1 | 160.8 | 162.3 | -27.7 | -70.6 | 64.7 | 0 | 0 | 113.9 | ||||
| 206 | D | 44.5 | Very low | 48.7 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | -156.7 | 140.5 | 3 | -119.7 | -25 | 0 | 0 | 0 | 105.2 | ||||
| 207 | E | 47.3 | Very low | 47.6 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | 54.1 | 140.5 | 89.8 | -69.9 | -84.3 | 58.9 | 0 | 0 | 116.4 | |||||
| 208 | R | 36.3 | Very low | 47.1 | Very low | 205 Ų | 205 | 128.2 Ų | 128.2 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | cis | -150.5 | 159.5 | 8.3 | -165.1 | 164.3 | -78.3 | 158.1 | 3.4 | 112.7 | ||||
| 209 | N | 41.1 | Very low | 47.1 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -68.8 | -176 | 169.9 | -113.9 | -39.9 | 0 | 0 | 0 | 113.2 | ||||
| 210 | P | 54.2 | Low | 46 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -142.2 | 164.8 | -1.5 | 33.6 | -10.4 | 0 | 0 | 0 | 119.9 | ||||
| 211 | A | 36.6 | Very low | 44.9 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | trans | 42.9 | 116.2 | 136.5 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 212 | L | 37.4 | Very low | 44.2 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | 67 | 163.1 | 139 | -54.4 | 172.5 | 0 | 0 | 0 | 119.4 | ||||
| 213 | P | 59.8 | Low | 43.6 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | -120.2 | -153.3 | -62.8 | 40.5 | -24.2 | 0 | 0 | 0 | 109.8 | |||||
| 214 | P | 51 | Low | 43 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | cis | -138.2 | -134.7 | -4 | 45.4 | -23.4 | 0 | 0 | 0 | 114.9 | ||||
| 215 | L | 36.3 | Very low | 43.2 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -70 | 175.8 | 176.9 | -71.1 | 167.5 | 0 | 0 | 0 | 116.4 | ||||
| 216 | P | 54.8 | Low | 42.3 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | cis | -131.9 | 177.9 | -15.9 | 33.2 | -14.4 | 0 | 0 | 0 | 114.4 | ||||
| 217 | L | 30.5 | Very low | 42.1 | Very low | 171 Ų | 171 | 135 Ų | 135 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | 164.7 | 152.3 | 127.1 | -88.5 | 163.6 | 0 | 0 | 0 | 113.7 | |||||
| 218 | A | 38.7 | Very low | 41.5 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -113.1 | 179.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 219 | P | 48.5 | Very low | 41.4 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | cis | -132.6 | -171.3 | 11.7 | 40.5 | -18.7 | 0 | 0 | 0 | 114 | ||||
| 220 | T | 35.2 | Very low | 41.1 | Very low | 135 Ų | 135 | 128 Ų | 128 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | -168.3 | 168.2 | 84.4 | 37.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 221 | N | 34.5 | Very low | 40.2 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -87.5 | 165.9 | -166.9 | -60.3 | -46.7 | 0 | 0 | 0 | 116.5 | ||||
| 222 | Q | 37.1 | Very low | 40.2 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 129.1 | 144.6 | 147.3 | -70.9 | 157.6 | 112.7 | 0 | 0 | 112.6 | ||||
| 223 | S | 35.7 | Very low | 40.1 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | cis | -162.3 | 172.6 | -11.4 | -103.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 224 | M | 40.3 | Very low | 38.9 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -106 | -177.1 | 171.1 | -71.1 | -93.1 | -120.2 | 0 | 0 | 110.8 | ||||
| 225 | P | 52.7 | Low | 38.3 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | -128.6 | -180 | -72.5 | 40.1 | -24.7 | 0 | 0 | 0 | 112 | |||||
| 226 | V | 36.7 | Very low | 38.2 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -136.3 | 133.6 | 164.1 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 227 | I | 40.8 | Very low | 37.3 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -113 | 139.9 | 169.3 | -63.8 | 169.4 | 0 | 0 | 0 | 107.6 | ||||
| 228 | S | 33.8 | Very low | 37.6 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -135.4 | 144 | 161.9 | -86.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 229 | T | 34.3 | Very low | 37.5 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -100.2 | 155.7 | -171.3 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 230 | G | 33.6 | Very low | 37 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -165.8 | 42.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 231 | T | 36.4 | Very low | 37.2 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | 56.8 | 130.3 | 151.5 | -46.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 232 | N | 35.8 | Very low | 37.7 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -46.3 | 147.5 | 176.5 | -50.6 | -24.5 | 0 | 0 | 0 | 117.7 | ||||
| 233 | H | 34.8 | Very low | 38.2 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -137.3 | 150.4 | 142.3 | -168.5 | -96.5 | 0 | 0 | 0 | 109.9 | ||||
| 234 | V | 35.7 | Very low | 39 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -122.2 | 111.9 | -173.3 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 235 | T | 38.9 | Very low | 39.9 | Very low | 114 Ų | 114 | 125 Ų | 125 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -149.7 | 108.8 | 165.6 | 43.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 236 | S | 33.8 | Very low | 40.2 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 83.4 | 100.6 | 69.7 | -177.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 237 | L | 34.7 | Very low | 41.3 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | 71 | 99.7 | 153.4 | -64.5 | 170.6 | 0 | 0 | 0 | 120.8 | ||||
| 238 | H | 37.1 | Very low | 42.1 | Very low | 186 Ų | 186 | 123.7 Ų | 123.7 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | 59.3 | 118.1 | 127.1 | -78 | -124.1 | 0 | 0 | 0 | 120.5 | |||||
| 239 | Q | 37.9 | Very low | 43.4 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | trans | -135.2 | 111.6 | 167.6 | 175.9 | -177.9 | 15.6 | 0 | 0 | 109.7 | ||||
| 240 | E | 36.4 | Very low | 44.6 | Very low | 202 Ų | 202 | 121.2 Ų | 121.2 | 94% | 0.944 | 72% | 0.717 | S | S | * | * | trans | 171.8 | 156.8 | 153.4 | -101.6 | -170.6 | 145.7 | 0 | 0 | 108.5 | ||||
| 241 | G | 39.7 | Very low | 45.9 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | cis | 155.1 | 111.3 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G243 | G241-G243 PolarHBondContact O-N 2.81Š| ||
| 242 | G | 44.8 | Very low | 46.9 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 77.6 | -22.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | G244 | G242-G244 PolarHBondContact O-N 2.87Š| ||
| 243 | G | 49.3 | Very low | 47.9 | Very low | 47 Ų | 47 | 123.3 Ų | 123.3 | 49% | 0.485 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | -28.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | G241 L245 | G241-G243 PolarHBondContact O-N 2.81Å; G243-L245 PolarHBondContact O-N 2.76Å |
| 244 | G | 51.8 | Low | 49.1 | Very low | 49 Ų | 49 | 120.1 Ų | 120.1 | 51% | 0.505 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -77.1 | -23.2 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | G242 N248 | G242-G244 PolarHBondContact O-N 2.87Å; G244-N248 PolarHBondContact O-ND2 3.22Å |
| 245 | L | 58.3 | Low | 50 | Low | 136 Ų | 136 | 122.9 Ų | 122.9 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -75.9 | -37 | -171 | -68.2 | 171.7 | 0 | 0 | 0 | 112.9 | G243 N248 T249 | G243-L245 PolarHBondContact O-N 2.76Å; L245-N248 PolarHBondContact O-N 2.99Å; L245-T249 PolarHBondContact O-N 3.44Å; L245-T249 PolarHBondContact O-OG1 3.38Å |
| 246 | I | 59.8 | Low | 50.3 | Low | 124 Ų | 124 | 123.4 Ų | 123.4 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -68.6 | -40.1 | -174.6 | 56.8 | 174.6 | 0 | 0 | 0 | 113 | L250 | I246-L250 WeakPolarHBondContact O-CG 3.46Å; I246-L250 PolarHBondContact O-N 3.09Å |
| 247 | M | 58.9 | Low | 50.7 | Low | 137 Ų | 137 | 123.6 Ų | 123.6 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -67.8 | -37.2 | 176.1 | -92 | -166.9 | -84 | 0 | 0 | 112.2 | L250 K251 | M247-L250 PolarHBondContact O-N 3.41Å; M247-K251 PolarHBondContact O-N 3.35Å |
| 248 | N | 57.9 | Low | 51.5 | Low | 104 Ų | 104 | 124.4 Ų | 124.4 | 56% | 0.556 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -67.8 | -36.5 | 179.8 | -74.5 | -15.3 | 0 | 0 | 0 | 112.3 | G244 L245 N252 | G244-N248 PolarHBondContact O-ND2 3.22Å; L245-N248 PolarHBondContact O-N 2.99Å; N248-N252 PolarHBondContact O-N 3.43Å; N248-N252 PolarHBondContact O-ND2 3.17Å |
| 249 | T | 60.9 | Low | 51.9 | Low | 100 Ų | 100 | 120.9 Ų | 120.9 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -63.2 | -46.5 | 171.7 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | L245 K251 N252 D253 | L245-T249 PolarHBondContact O-N 3.44Å; L245-T249 PolarHBondContact O-OG1 3.38Å; T249-K251 PolarHBondContact O-N 3.19Å; T249-N252 PolarHBondContact O-N 3.27Å; T249-D253 PolarHBondContact O-N 3.06Å; T249-D253 VanDerWaalsContact O-N 3.16Å |
| 250 | L | 60.2 | Low | 52.4 | Low | 104 Ų | 104 | 115 Ų | 115 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -63.3 | -40.1 | -179.8 | -68.5 | 169.5 | 0 | 0 | 0 | 112.8 | I246 M247 N252 D253 L254 | I246-L250 WeakPolarHBondContact O-CG 3.46Å; I246-L250 PolarHBondContact O-N 3.09Å; M247-L250 PolarHBondContact O-N 3.41Å; L250-N252 PolarHBondContact O-N 3.4Å; L250-D253 PolarHBondContact O-N 3.35Å; L250-L254 WeakPolarHBondContact O-CB 3.34Å; L250-L254 PolarHBondContact O-N 3.27Å |
| 251 | K | 61 | Low | 53.1 | Low | 132 Ų | 132 | 111 Ų | 111 | 57% | 0.574 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.9 | -20.1 | 176.8 | -165.9 | 179.3 | 178.2 | -168.7 | 0 | 113.2 | M247 T249 E258 | M247-K251 PolarHBondContact O-N 3.35Å; T249-K251 PolarHBondContact O-N 3.19Å; K251-E258 IonicContact NZ-OE1 3.9Å; K251-E258 PolarHBondContact NZ-OE1 3.46Å |
| 252 | N | 57 | Low | 54.3 | Low | 132 Ų | 132 | 117.2 Ų | 117.2 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -89.8 | -33.4 | 176.3 | -78.5 | -86.1 | 0 | 0 | 0 | 113.3 | N248 T249 L250 | N248-N252 PolarHBondContact O-N 3.43Å; N248-N252 PolarHBondContact O-ND2 3.17Å; T249-N252 PolarHBondContact O-N 3.27Å; L250-N252 PolarHBondContact O-N 3.4Å |
| 253 | D | 56.7 | Low | 54.9 | Low | 146 Ų | 146 | 118.6 Ų | 118.6 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.6 | -34.5 | 179.7 | -156.7 | 47.2 | 0 | 0 | 0 | 111.7 | T249 L250 Q255 | T249-D253 PolarHBondContact O-N 3.06Å; T249-D253 VanDerWaalsContact O-N 3.16Å; L250-D253 PolarHBondContact O-N 3.35Å; D253-Q255 PolarHBondContact O-N 3.5Å |
| 254 | L | 59.5 | Low | 54.8 | Low | 101 Ų | 101 | 128 Ų | 128 | 53% | 0.529 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -86.2 | 98.7 | 168.5 | -70.4 | 158.8 | 0 | 0 | 0 | 109.8 | L250 L256 | L250-L254 WeakPolarHBondContact O-CB 3.34Å; L250-L254 PolarHBondContact O-N 3.27Å; L254-L256 HydrophobicContact CB-CG 4.18Å; L254-L256 PolarHBondContact O-N 2.77Å |
| 255 | Q | 55.6 | Low | 55 | Low | 184 Ų | 184 | 131.9 Ų | 131.9 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -69.3 | 69 | 173.4 | -65.5 | -175.1 | 2.4 | 0 | 0 | 111.9 | D253 S257 | D253-Q255 PolarHBondContact O-N 3.5Å; Q255-S257 PolarHBondContact O-N 3.35Å | ||
| 256 | L | 44.3 | Very low | 54.8 | Low | 126 Ų | 126 | 131.7 Ų | 131.7 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | trans | -77.4 | 97.9 | 174.2 | -61.9 | 179.5 | 0 | 0 | 0 | 109.2 | L254 E258 | L254-L256 HydrophobicContact CB-CG 4.18Å; L254-L256 PolarHBondContact O-N 2.77Å; L256-E258 PolarHBondContact O-N 3.45Å | ||
| 257 | S | 42 | Very low | 54.5 | Low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -53.3 | 123.8 | 171.9 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | Q255 S259 | Q255-S257 PolarHBondContact O-N 3.35Å; S257-S259 PolarHBondContact O-N 3.38Å | ||
| 258 | E | 52.8 | Low | 54.3 | Low | 164 Ų | 164 | 131.8 Ų | 131.8 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | -76.2 | 72.1 | 178.5 | -57.7 | -171.8 | 153.1 | 0 | 0 | 109.8 | K251 L256 G260 | K251-E258 IonicContact NZ-OE1 3.9Å; K251-E258 PolarHBondContact NZ-OE1 3.46Å; L256-E258 PolarHBondContact O-N 3.45Å; E258-G260 VanDerWaalsContact C-N 3.3Å; E258-G260 PolarHBondContact O-N 3.27Å | ||
| 259 | S | 45.4 | Very low | 54 | Low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -69.3 | 83.7 | 177.6 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | S257 | S257-S259 PolarHBondContact O-N 3.38Š| ||
| 260 | G | 47.5 | Very low | 53.6 | Low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -63.6 | 142.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E258 E262 | E258-G260 VanDerWaalsContact C-N 3.3Å; E258-G260 PolarHBondContact O-N 3.27Å; G260-E262 PolarHBondContact O-N 3.42Å; G260-E262 VanDerWaalsContact O-N 3.11Å | ||
| 261 | S | 52.2 | Low | 53.1 | Low | 119 Ų | 119 | 138.1 Ų | 138.1 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -74.3 | 96.2 | 176.1 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 262 | E | 63.4 | Low | 52.5 | Low | 196 Ų | 196 | 138.5 Ų | 138.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -67.4 | 140.7 | 162.2 | -172 | 165.3 | 89.6 | 0 | 0 | 109.3 | G260 | G260-E262 PolarHBondContact O-N 3.42Å; G260-E262 VanDerWaalsContact O-N 3.11Å | ||
| 263 | S | 57.4 | Low | 52.1 | Low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -143.3 | 124.7 | -178 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 264 | D | 48.4 | Very low | 51.7 | Low | 244 Ų | 244 | 138.5 Ų | 138.5 | 100% | 1.305 | 80% | 0.801 | S | S | * | * | trans | -151.1 | 0 | 156.4 | -160.9 | 46.4 | 0 | 0 | 0 | 107.5 |
Retrieved 264 of 264 residues in 145.8 ms
(Link to these results)