| 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 | 36.3 | Very low | 54.9 | Low | 241 Ų | 241 | 132.7 Ų | 132.7 | 100% | 1.187 | 74% | 0.742 | S | S | * | * | 0 | 104 | 0 | -82.2 | 156.9 | 153.6 | 0 | 0 | 108.3 | G3 | M1-G3 PolarHBondContact O-N 3.49Š| |||
| 2 | N | 40.3 | Very low | 57.3 | Low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | trans | -67.4 | 121.9 | -176.7 | -75.2 | -9.5 | 0 | 0 | 0 | 110.3 | T4 | N2-T4 PolarHBondContact O-N 3.13Š| ||
| 3 | G | 45.4 | Very low | 59.6 | Low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | -63.7 | 105.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | M1 A5 | M1-G3 PolarHBondContact O-N 3.49Å; G3-A5 PolarHBondContact O-N 3.05Å; G3-A5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | T | 46.1 | Very low | 61.6 | Low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | -60.3 | 110.8 | 163.4 | 47.4 | 0 | 0 | 0 | 0 | 106.9 | N2 N6 | N2-T4 PolarHBondContact O-N 3.13Å; T4-N6 PolarHBondContact O-N 2.88Å; T4-N6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | A | 50.5 | Low | 63.4 | Low | 90 Ų | 90 | 132.3 Ų | 132.3 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | trans | -48.4 | 122 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | G3 P7 | G3-A5 PolarHBondContact O-N 3.05Å; G3-A5 VanDerWaalsContact O-N 3.09Å; A5-P7 WeakPolarHBondContact O-CD 3.35Å | ||
| 6 | N | 54.2 | Low | 65.3 | Low | 116 Ų | 116 | 128.4 Ų | 128.4 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | trans | -56.2 | 112.8 | 175.9 | -105.7 | -35 | 0 | 0 | 0 | 107.1 | T4 L8 L9 | T4-N6 PolarHBondContact O-N 2.88Å; T4-N6 VanDerWaalsContact O-N 3.11Å; N6-L8 PolarHBondContact O-N 3.45Å; N6-L9 PolarHBondContact O-N 3.38Å | ||
| 7 | P | 53.5 | Low | 67 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -6.7 | 179.2 | 26.7 | -33.2 | 0 | 0 | 0 | 112.3 | A5 | A5-P7 WeakPolarHBondContact O-CD 3.35Š|
| 8 | L | 57.8 | Low | 68.5 | Low | 91 Ų | 91 | 123.6 Ų | 123.6 | 48% | 0.476 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -18 | -179.5 | -109.2 | 75.5 | 0 | 0 | 0 | 115.2 | N6 H92 | N6-L8 PolarHBondContact O-N 3.45Å; L8-H92 WeakPolarHBondContact CD2-CE1 3.31Å; L8-H92 WeakPolarHBondContact CD2-NE2 3.42Å; L8-H92 WeakPolarHBondContact CG-CE1 3.32Å |
| 9 | L | 66.2 | Low | 69.9 | Low | 100 Ų | 100 | 117.7 Ų | 117.7 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -113 | 86 | 173.4 | -61.3 | 177.8 | 0 | 0 | 0 | 106.3 | N6 I90 Y97 | N6-L9 PolarHBondContact O-N 3.38Å; L9-I90 HydrophobicContact CD2-CD1 3.55Å; L9-Y97 HydrophobicContact CD2-CE1 4.45Å |
| 10 | D | 74.2 | Confident | 71.1 | Confident | 69 Ų | 69 | 116.1 Ų | 116.1 | 37% | 0.369 | 62% | 0.621 | S | S | . | * | trans | -48.6 | 144.8 | 159.2 | 51.6 | -3.4 | 0 | 0 | 0 | 108.9 | E12 H14 | D10-E12 HydrophobicContact CB-CB 4.44Å; D10-E12 HydrophobicContact CB-CG 4.3Å; D10-E12 PolarHBondContact O-N 2.73Å; D10-H14 IonicContact OD1-CD2 3.14Å; D10-H14 IonicContact OD1-CE1 2.79Å; D10-H14 IonicContact OD1-NE2 3.67Å; D10-H14 PolarHBondContact OD1-NE2 3.1Å; D10-H14 IonicContact OD2-CE1 2.65Å; D10-H14 PolarHBondContact OD2-CE1 3.2Å; D10-H14 VanDerWaalsContact OD2-CE1 3.3Å; D10-H14 IonicContact OD2-NE2 3.83Å; D10-H14 PolarHBondContact OD2-NE2 3.25Å; D10-H14 VanDerWaalsContact OD2-NE2 3.14Å | ||
| 11 | R | 79.5 | Confident | 72.1 | Confident | 260 Ų | 260 | 111 Ų | 111 | 98% | 0.981 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -74.3 | 22.2 | 179.3 | -75.1 | 176.3 | 149.9 | -173.7 | -6.6 | 112.2 | ||
| 12 | E | 83.9 | Confident | 74.8 | Confident | 144 Ų | 144 | 100.5 Ų | 100.5 | 67% | 0.673 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -92.3 | 157.8 | -177 | -63.3 | -166.5 | 174.1 | 0 | 0 | 110.5 | D10 H14 | D10-E12 HydrophobicContact CB-CB 4.44Å; D10-E12 HydrophobicContact CB-CG 4.3Å; D10-E12 PolarHBondContact O-N 2.73Å; E12-H14 PolarHBondContact O-CD2 3.09Å |
| 13 | E | 86.5 | Confident | 77.2 | Confident | 200 Ų | 200 | 97.6 Ų | 97.6 | 94% | 0.935 | 52% | 0.524 | S | S | * | . | trans | -84.3 | 124.9 | 176.2 | -65.6 | -175.2 | 169.4 | 0 | 0 | 109.8 | ||||
| 14 | H | 87.6 | Confident | 79.3 | Confident | 69 Ų | 69 | 104 Ų | 104 | 32% | 0.319 | 53% | 0.53 | S | S | . | . | trans | -109.7 | 144 | 178.2 | -67.3 | -78.7 | 0 | 0 | 0 | 112 | D10 E12 L16 Y97 | D10-H14 IonicContact OD1-CD2 3.14Å; D10-H14 IonicContact OD1-CE1 2.79Å; D10-H14 IonicContact OD1-NE2 3.67Å; D10-H14 PolarHBondContact OD1-NE2 3.1Å; D10-H14 IonicContact OD2-CE1 2.65Å; D10-H14 PolarHBondContact OD2-CE1 3.2Å; D10-H14 VanDerWaalsContact OD2-CE1 3.3Å; D10-H14 IonicContact OD2-NE2 3.83Å; D10-H14 PolarHBondContact OD2-NE2 3.25Å; D10-H14 VanDerWaalsContact OD2-NE2 3.14Å; E12-H14 PolarHBondContact O-CD2 3.09Å; H14-L16 PolarHBondContact O-N 3.18Å; H14-Y97 HydrophobicContact CB-CD1 4.02Å; H14-Y97 HydrophobicContact CB-CD2 3.58Å; H14-Y97 HydrophobicContact CB-CE1 4.07Å; H14-Y97 HydrophobicContact CB-CE2 3.69Å; H14-Y97 HydrophobicContact CB-CG 3.79Å; H14-Y97 AromaticContact CD2-CE1 3.9Å; H14-Y97 AromaticContact CD2-CE2 3.94Å; H14-Y97 AromaticContact CD2-CZ 3.51Å; H14-Y97 PolarHBondContact CD2-OH 2.85Å; H14-Y97 AromaticContact CE1-CE2 3.78Å; H14-Y97 AromaticContact CE1-CZ 3.81Å; H14-Y97 PolarHBondContact CE1-OH 2.98Å; H14-Y97 AromaticContact CG-CD2 3.77Å; H14-Y97 AromaticContact CG-CE1 3.88Å; H14-Y97 AromaticContact CG-CE2 3.31Å; H14-Y97 AromaticContact CG-CZ 3.36Å; H14-Y97 AromaticContact ND1-CD2 3.89Å; H14-Y97 AromaticContact ND1-CE2 3.22Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.35Å; H14-Y97 AromaticContact ND1-CZ 3.6Å; H14-Y97 AromaticContact NE2-CZ 3.77Å; H14-Y97 PolarHBondContact NE2-OH 3.31Å | ||
| 15 | C | 89.2 | Confident | 81.5 | Confident | 112 Ų | 112 | 107.9 Ų | 107.9 | 76% | 0.757 | 53% | 0.53 | S | S | * | . | trans | -72 | 111.6 | 175.1 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 16 | L | 93.2 | Very high | 83.4 | Confident | 69 Ų | 69 | 106.8 Ų | 106.8 | 36% | 0.361 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124.8 | 175.9 | -171.8 | 67.9 | 0 | 0 | 0 | 111.4 | H14 L88 L99 | H14-L16 PolarHBondContact O-N 3.18Å; L16-L88 HydrophobicContact CD1-CD1 3.64Å; L16-L99 HydrophobicContact CD1-CB 4.07Å; L16-L99 HydrophobicContact CD2-CB 4.47Å; L16-L99 HydrophobicContact CD2-CD2 4.41Å; L16-L99 HydrophobicContact CG-CB 4.41Å |
| 17 | R | 94.2 | Very high | 85.2 | Confident | 133 Ų | 133 | 111.3 Ų | 111.3 | 50% | 0.502 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.2 | 173.1 | -60.1 | -178.8 | 64.8 | 163.8 | 1.8 | 109.7 | E96 Y97 V98 L99 | R17-E96 IonicContact CZ-OE1 3.3Å; R17-E96 IonicContact NH1-OE1 3.52Å; R17-E96 PolarHBondContact NH1-OE1 3.3Å; R17-Y97 PolarHBondContact N-O 3.43Å; R17-V98 HydrophobicContact CB-CG2 4.38Å; R17-V98 CarbonylContact O-C 3.5Å; R17-V98 WeakPolarHBondContact O-CA 3.31Å; R17-L99 PolarHBondContact O-N 3.46Å |
| 18 | L | 94.5 | Very high | 87 | Confident | 38 Ų | 38 | 107.1 Ų | 107.1 | 20% | 0.199 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 130.3 | 164.7 | -59.4 | -176 | 0 | 0 | 0 | 108.6 | F22 L99 L249 T252 L253 | L18-F22 HydrophobicContact CB-CB 4.05Å; L18-F22 HydrophobicContact CB-CD2 3.87Å; L18-F22 HydrophobicContact CB-CG 4.05Å; L18-F22 HydrophobicContact CD1-CB 4.2Å; L18-F22 HydrophobicContact CD1-CD1 4.21Å; L18-F22 HydrophobicContact CD1-CG 4.06Å; L18-F22 HydrophobicContact CD2-CD2 4.06Å; L18-F22 HydrophobicContact CD2-CE2 3.98Å; L18-F22 HydrophobicContact CD2-CG 4.36Å; L18-F22 HydrophobicContact CD2-CZ 4.2Å; L18-F22 HydrophobicContact CG-CD2 4.33Å; L18-F22 HydrophobicContact CG-CG 4.36Å; L18-L99 HydrophobicContact CD2-CB 4.11Å; L18-L99 HydrophobicContact CD2-CD2 4.14Å; L18-L249 HydrophobicContact CB-CD1 4.44Å; L18-L249 HydrophobicContact CD1-CD1 4.29Å; L18-L249 HydrophobicContact CD1-CD2 4.35Å; L18-L249 HydrophobicContact CD1-CG 3.68Å; L18-L249 HydrophobicContact CD2-CD2 4.35Å; L18-L249 HydrophobicContact CD2-CG 4.36Å; L18-L249 HydrophobicContact CG-CD1 3.76Å; L18-L249 HydrophobicContact CG-CD2 4.13Å; L18-L249 HydrophobicContact CG-CG 3.61Å; L18-T252 HydrophobicContact CD1-CG2 3.86Å; L18-L253 HydrophobicContact CD1-CD2 4.34Å; L18-L253 HydrophobicContact CD1-CG 4.26Å; L18-L253 HydrophobicContact CD2-CD1 4.36Å; L18-L253 HydrophobicContact CD2-CD2 3.66Å; L18-L253 HydrophobicContact CD2-CG 4.1Å |
| 19 | G | 94 | Very high | 88.6 | Confident | 12 Ų | 12 | 106.1 Ų | 106.1 | 12% | 0.124 | 50% | 0.5 | C | S | . | . | trans | -81.4 | -176.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S21 F22 L99 E100 | G19-S21 PolarHBondContact O-N 3.11Å; G19-S21 VanDerWaalsContact O-N 3.15Å; G19-F22 PolarHBondContact O-N 3.4Å; G19-F22 VanDerWaalsContact O-N 3.16Å; G19-L99 PolarHBondContact N-O 3.29Å; G19-E100 VanDerWaalsContact CA-CD 3.46Å; G19-E100 VanDerWaalsContact CA-OE1 3.27Å; G19-E100 WeakPolarHBondContact CA-OE1 3.37Å; G19-E100 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 20 | E | 94 | Very high | 90 | Very high | 85 Ų | 85 | 104 Ų | 104 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -65.6 | -21.6 | -170.2 | -62 | -174 | 163.6 | 0 | 0 | 112.7 | F22 E23 R27 E100 | E20-F22 PolarHBondContact O-N 3.38Å; E20-E23 WeakPolarHBondContact O-CB 3.32Å; E20-E23 PolarHBondContact O-N 2.99Å; E20-E23 VanDerWaalsContact O-N 3.11Å; E20-R27 WeakPolarHBondContact OE2-CB 3.42Å; E20-E100 PolarHBondContact N-OE1 3Å; E20-E100 PolarHBondContact N-OE2 3.14Å |
| 21 | S | 93.3 | Very high | 91 | Very high | 8 Ų | 8 | 104.9 Ų | 104.9 | 6% | 0.056 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -66.3 | -16.7 | 177.3 | 64.3 | 0 | 0 | 0 | 0 | 114.3 | G19 E100 K101 | G19-S21 PolarHBondContact O-N 3.11Å; G19-S21 VanDerWaalsContact O-N 3.15Å; S21-E100 WeakPolarHBondContact CB-OE2 3.27Å; S21-E100 PolarHBondContact N-OE2 3.28Å; S21-E100 VanDerWaalsContact OG-CA 3.31Å; S21-E100 WeakPolarHBondContact OG-CA 3.25Å; S21-E100 PolarHBondContact OG-OE2 2.75Å; S21-K101 PolarHBondContact OG-N 3.44Å |
| 22 | F | 92.3 | Very high | 91.8 | Very high | 22 Ų | 22 | 94.2 Ų | 94.2 | 10% | 0.096 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -90 | -5.1 | 174.8 | -74.3 | -84.3 | 0 | 0 | 0 | 113.5 | L18 G19 E20 L99 K101 T252 L253 D256 | L18-F22 HydrophobicContact CB-CB 4.05Å; L18-F22 HydrophobicContact CB-CD2 3.87Å; L18-F22 HydrophobicContact CB-CG 4.05Å; L18-F22 HydrophobicContact CD1-CB 4.2Å; L18-F22 HydrophobicContact CD1-CD1 4.21Å; L18-F22 HydrophobicContact CD1-CG 4.06Å; L18-F22 HydrophobicContact CD2-CD2 4.06Å; L18-F22 HydrophobicContact CD2-CE2 3.98Å; L18-F22 HydrophobicContact CD2-CG 4.36Å; L18-F22 HydrophobicContact CD2-CZ 4.2Å; L18-F22 HydrophobicContact CG-CD2 4.33Å; L18-F22 HydrophobicContact CG-CG 4.36Å; G19-F22 PolarHBondContact O-N 3.4Å; G19-F22 VanDerWaalsContact O-N 3.16Å; E20-F22 PolarHBondContact O-N 3.38Å; F22-L99 WeakPolarHBondContact CD2-O 3.4Å; F22-L99 HydrophobicContact CE2-CB 4.31Å; F22-L99 HydrophobicContact CE2-CD2 4.34Å; F22-L99 HydrophobicContact CE2-CG 4.13Å; F22-L99 WeakPolarHBondContact CE2-O 3.37Å; F22-L99 HydrophobicContact CZ-CD2 4.04Å; F22-L99 HydrophobicContact CZ-CG 4.25Å; F22-K101 HydrophobicContact CE2-CB 4.35Å; F22-K101 HydrophobicContact CZ-CB 4.29Å; F22-T252 HydrophobicContact CB-CG2 4.1Å; F22-T252 HydrophobicContact CD1-CG2 3.88Å; F22-T252 HydrophobicContact CG-CG2 4.42Å; F22-L253 HydrophobicContact CE1-CD2 3.91Å; F22-L253 HydrophobicContact CZ-CD2 4.12Å; F22-D256 HydrophobicContact CE1-CB 4.36Å |
| 23 | E | 91.7 | Very high | 92.4 | Very high | 103 Ų | 103 | 90.9 Ų | 90.9 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -70 | 157.3 | 177.2 | -65.5 | -173 | 177.1 | 0 | 0 | 111.7 | E20 R25 P26 | E20-E23 WeakPolarHBondContact O-CB 3.32Å; E20-E23 PolarHBondContact O-N 2.99Å; E20-E23 VanDerWaalsContact O-N 3.11Å; E23-R25 PolarHBondContact O-N 3.16Å; E23-R25 VanDerWaalsContact O-N 3.08Å; E23-P26 VanDerWaalsContact O-CD 3.26Å; E23-P26 WeakPolarHBondContact O-CD 3.36Å; E23-P26 WeakPolarHBondContact O-CG 3.21Å |
| 24 | K | 89.4 | Confident | 92.8 | Very high | 211 Ų | 211 | 86.6 Ų | 86.6 | 92% | 0.917 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -60 | -22.6 | 175 | -65.7 | -176.5 | -179.4 | 179.8 | 0 | 113 | ||
| 25 | R | 91.7 | Very high | 93.1 | Very high | 211 Ų | 211 | 88.9 Ų | 88.9 | 80% | 0.796 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -135.7 | 80.5 | 176.3 | -64.7 | -169.8 | -174.1 | 95.4 | -0.2 | 109 | E23 R27 | E23-R25 PolarHBondContact O-N 3.16Å; E23-R25 VanDerWaalsContact O-N 3.08Å; R25-R27 PolarHBondContact O-N 3.2Å |
| 26 | P | 91.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 89.1 Ų | 89.1 | 44% | 0.442 | 41% | 0.414 | S | S | . | . | trans | -55.1 | 131.9 | -178.9 | -28.5 | 38.5 | 0 | 0 | 0 | 111.9 | E23 | E23-P26 VanDerWaalsContact O-CD 3.26Å; E23-P26 WeakPolarHBondContact O-CD 3.36Å; E23-P26 WeakPolarHBondContact O-CG 3.21Å | ||
| 27 | R | 92.2 | Very high | 92.9 | Very high | 210 Ų | 210 | 91.6 Ų | 91.6 | 79% | 0.792 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -91.3 | -17.7 | 173.6 | -60.7 | 179.6 | 65.6 | 134 | 1.4 | 112.6 | E20 R25 | E20-R27 WeakPolarHBondContact OE2-CB 3.42Å; R25-R27 PolarHBondContact O-N 3.2Å |
| 28 | A | 91 | Very high | 92.6 | Very high | 34 Ų | 34 | 90.4 Ų | 90.4 | 28% | 0.281 | 42% | 0.42 | S | S | . | . | trans | -125.4 | 159 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F30 | A28-F30 HydrophobicContact CB-CE2 4.22Š| ||
| 29 | S | 91.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 89 Ų | 89 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | trans | -143 | 135.4 | 174.9 | -66.4 | 0 | 0 | 0 | 0 | 109.7 | H31 | S29-H31 WeakPolarHBondContact CB-NE2 3.36Š| ||
| 30 | F | 95.2 | Very high | 92.3 | Very high | 55 Ų | 55 | 93.5 Ų | 93.5 | 24% | 0.241 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.1 | -177.8 | -63.6 | -96.9 | 0 | 0 | 0 | 109.8 | A28 V87 I89 E100 L102 S103 | A28-F30 HydrophobicContact CB-CE2 4.22Å; F30-V87 HydrophobicContact CB-CG1 4.48Å; F30-V87 HydrophobicContact CD1-CG1 4.19Å; F30-V87 HydrophobicContact CG-CG1 4.34Å; F30-I89 HydrophobicContact CE1-CD1 3.73Å; F30-I89 HydrophobicContact CZ-CD1 4.02Å; F30-E100 HydrophobicContact CD2-CB 3.66Å; F30-E100 HydrophobicContact CD2-CG 4.12Å; F30-E100 HydrophobicContact CE1-CB 4.45Å; F30-E100 HydrophobicContact CE1-CG 4.28Å; F30-E100 HydrophobicContact CE2-CB 3.54Å; F30-E100 HydrophobicContact CE2-CG 3.45Å; F30-E100 VanDerWaalsContact CE2-CG 3.45Å; F30-E100 HydrophobicContact CG-CB 4.2Å; F30-E100 HydrophobicContact CZ-CB 3.96Å; F30-E100 HydrophobicContact CZ-CG 3.53Å; F30-L102 HydrophobicContact CB-CD2 3.93Å; F30-S103 WeakPolarHBondContact O-CB 3.48Å; F30-S103 PolarHBondContact O-N 3.33Å |
| 31 | H | 95.2 | Very high | 92.2 | Very high | 88 Ų | 88 | 91 Ų | 91 | 41% | 0.407 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 146.5 | -174.6 | -52.1 | -70.1 | 0 | 0 | 0 | 109.9 | S29 S104 I106 | S29-H31 WeakPolarHBondContact CB-NE2 3.36Å; H31-S104 VanDerWaalsContact CA-O 3.29Å; H31-S104 WeakPolarHBondContact CA-O 3.03Å; H31-S104 PolarHBondContact ND1-OG 2.81Å; H31-I106 HydrophobicContact CB-CD1 4.24Å |
| 32 | T | 95.5 | Very high | 92.3 | Very high | 36 Ų | 36 | 91.6 Ų | 91.6 | 22% | 0.221 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.9 | 169.1 | 66.5 | 0 | 0 | 0 | 0 | 109.7 | Y82 L102 S104 S105 I106 | T32-Y82 HydrophobicContact CG2-CE2 3.85Å; T32-Y82 WeakPolarHBondContact CG2-OH 3.46Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.47Å; T32-Y82 PolarHBondContact OG1-OH 3.21Å; T32-L102 HydrophobicContact CG2-CD1 4.03Å; T32-L102 HydrophobicContact CG2-CD2 3.95Å; T32-S104 PolarHBondContact N-O 2.84Å; T32-S105 WeakPolarHBondContact OG1-CA 3.47Å; T32-I106 WeakPolarHBondContact O-CB 3.34Å; T32-I106 PolarHBondContact O-N 2.79Å |
| 33 | I | 95.8 | Very high | 92.4 | Very high | 75 Ų | 75 | 91.7 Ų | 91.7 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.1 | 173.7 | -63 | 166.7 | 0 | 0 | 0 | 107.2 | I60 I106 V108 | I33-I60 HydrophobicContact CD1-CD1 3.91Å; I33-I60 HydrophobicContact CG1-CD1 4.38Å; I33-I60 HydrophobicContact CG2-CD1 3.5Å; I33-I106 CarbonylContact C-O 3.53Å; I33-I106 WeakPolarHBondContact CA-O 3.42Å; I33-I106 HydrophobicContact CG1-CB 4.16Å; I33-I106 HydrophobicContact CG1-CD1 3.96Å; I33-V108 HydrophobicContact CG2-CG1 4.45Å; I33-V108 HydrophobicContact CG2-CG2 4.26Å |
| 34 | R | 95.4 | Very high | 92.6 | Very high | 110 Ų | 110 | 91.9 Ų | 91.9 | 42% | 0.415 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.4 | 175.4 | -63 | -167 | -63.6 | -84.1 | -1.8 | 109.3 | Y82 S105 I106 Q107 V108 | R34-Y82 PolarHBondContact NH1-OH 3.25Å; R34-S105 VanDerWaalsContact CZ-OG 3.26Å; R34-S105 PolarHBondContact NH1-OG 3.26Å; R34-S105 PolarHBondContact NH2-OG 2.83Å; R34-I106 PolarHBondContact N-O 3.42Å; R34-Q107 HydrophobicContact CB-CG 4.45Å; R34-Q107 WeakPolarHBondContact O-CA 3.3Å; R34-V108 PolarHBondContact O-N 3.19Å |
| 35 | Y | 93.5 | Very high | 92.9 | Very high | 116 Ų | 116 | 86.6 Ų | 86.6 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 151.8 | 167.9 | 49.9 | -98.7 | 0 | 0 | 0 | 108.8 | K38 | Y35-K38 HydrophobicContact CD2-CB 4.32Å; Y35-K38 HydrophobicContact CE2-CB 3.74Å; Y35-K38 HydrophobicContact CE2-CG 4.48Å |
| 36 | D | 89.5 | Confident | 93 | Very high | 117 Ų | 117 | 79.6 Ų | 79.6 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -86.6 | -21.4 | 178.1 | 53.8 | -1 | 0 | 0 | 0 | 113 | ||
| 37 | F | 89 | Confident | 93.2 | Very high | 121 Ų | 121 | 85.4 Ų | 85.4 | 53% | 0.531 | 45% | 0.447 | S | S | . | . | trans | -145.1 | 132.9 | -177.6 | -179 | -100.4 | 0 | 0 | 0 | 111.7 | P39 F75 | F37-P39 HydrophobicContact CD1-CG 3.94Å; F37-P39 HydrophobicContact CE1-CB 3.95Å; F37-P39 HydrophobicContact CE1-CG 3.71Å; F37-F75 WeakPolarHBondContact O-CE1 3.34Å; F37-F75 WeakPolarHBondContact O-CZ 3.17Å | ||
| 38 | K | 88.8 | Confident | 93.3 | Very high | 108 Ų | 108 | 77.5 Ų | 77.5 | 47% | 0.47 | 43% | 0.431 | S | S | . | . | trans | -108.9 | 105.2 | 169.9 | -174 | -179.1 | 176.6 | 179 | 0 | 109.1 | Y35 A40 I42 | Y35-K38 HydrophobicContact CD2-CB 4.32Å; Y35-K38 HydrophobicContact CE2-CB 3.74Å; Y35-K38 HydrophobicContact CE2-CG 4.48Å; K38-A40 PolarHBondContact O-N 3.47Å; K38-I42 HydrophobicContact CG-CD1 3.94Å | ||
| 39 | P | 89.6 | Confident | 93.6 | Very high | 8 Ų | 8 | 81.4 Ų | 81.4 | 5% | 0.052 | 44% | 0.443 | C | S | . | . | trans | -53.2 | 138.4 | 173.7 | -21.5 | 24.5 | 0 | 0 | 0 | 112.3 | F37 S41 I42 T73 | F37-P39 HydrophobicContact CD1-CG 3.94Å; F37-P39 HydrophobicContact CE1-CB 3.95Å; F37-P39 HydrophobicContact CE1-CG 3.71Å; P39-S41 PolarHBondContact O-N 3.13Å; P39-S41 VanDerWaalsContact O-N 3.17Å; P39-I42 HydrophobicContact CB-CD1 4.45Å; P39-I42 HydrophobicContact CB-CG1 4.25Å; P39-I42 HydrophobicContact CG-CD1 4.11Å; P39-I42 HydrophobicContact CG-CG1 4.32Å; P39-I42 PolarHBondContact O-N 3.19Å; P39-T73 HydrophobicContact CG-CG2 4.22Å | ||
| 40 | A | 91.6 | Very high | 93.8 | Very high | 108 Ų | 108 | 82.7 Ų | 82.7 | 89% | 0.893 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K38 I42 | K38-A40 PolarHBondContact O-N 3.47Å; A40-I42 VanDerWaalsContact C-N 3.34Å |
| 41 | S | 92.5 | Very high | 93.8 | Very high | 32 Ų | 32 | 82.8 Ų | 82.8 | 22% | 0.224 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -6.7 | -179.3 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | P39 D43 H64 I65 | P39-S41 PolarHBondContact O-N 3.13Å; P39-S41 VanDerWaalsContact O-N 3.17Å; S41-D43 PolarHBondContact O-N 3.35Å; S41-H64 CarbonylContact O-C 3.55Å; S41-H64 WeakPolarHBondContact O-CA 3.41Å; S41-H64 WeakPolarHBondContact O-CB 3.47Å; S41-H64 PolarHBondContact OG-CE1 2.92Å; S41-H64 PolarHBondContact OG-ND1 2.93Å; S41-H64 PolarHBondContact OG-NE2 3.3Å; S41-I65 PolarHBondContact O-N 2.63Å |
| 42 | I | 94.5 | Very high | 93.8 | Very high | 20 Ų | 20 | 83.8 Ų | 83.8 | 10% | 0.103 | 46% | 0.458 | C | S | . | . | B | Isolated β-bridge | trans | -61.6 | 124.7 | 178 | -73.6 | 174 | 0 | 0 | 0 | 109.9 | K38 P39 A40 T44 L62 P63 F75 | K38-I42 HydrophobicContact CG-CD1 3.94Å; P39-I42 HydrophobicContact CB-CD1 4.45Å; P39-I42 HydrophobicContact CB-CG1 4.25Å; P39-I42 HydrophobicContact CG-CD1 4.11Å; P39-I42 HydrophobicContact CG-CG1 4.32Å; P39-I42 PolarHBondContact O-N 3.19Å; A40-I42 VanDerWaalsContact C-N 3.34Å; I42-T44 HydrophobicContact CG2-CG2 4.42Å; I42-T44 PolarHBondContact O-N 3.15Å; I42-L62 HydrophobicContact CD1-CB 4.29Å; I42-L62 HydrophobicContact CD1-CD1 3.73Å; I42-L62 HydrophobicContact CG1-CB 4.36Å; I42-L62 HydrophobicContact CG2-CB 4.42Å; I42-P63 WeakPolarHBondContact CA-O 3.37Å; I42-F75 HydrophobicContact CD1-CE2 4.35Å |
| 43 | D | 96 | Very high | 93.7 | Very high | 24 Ų | 24 | 83.9 Ų | 83.9 | 13% | 0.128 | 47% | 0.465 | C | S | . | . | trans | -80.4 | 105.6 | 172.7 | -169.6 | -15.9 | 0 | 0 | 0 | 109.6 | S41 S45 C46 P63 I65 | S41-D43 PolarHBondContact O-N 3.35Å; D43-S45 PolarHBondContact O-N 3.17Å; D43-S45 WeakPolarHBondContact OD1-CA 3.44Å; D43-S45 VanDerWaalsContact OD1-CB 3.31Å; D43-S45 WeakPolarHBondContact OD1-CB 3.5Å; D43-S45 PolarHBondContact OD1-N 2.64Å; D43-S45 PolarHBondContact OD1-OG 3.36Å; D43-S45 PolarHBondContact OD2-OG 3.47Å; D43-C46 HydrophobicContact CB-CB 4.3Å; D43-C46 PolarHBondContact OD2-SG 3.03Å; D43-P63 PolarHBondContact N-O 2.92Å; D43-I65 HydrophobicContact CB-CG2 3.98Å | ||
| 44 | T | 94.3 | Very high | 93.5 | Very high | 108 Ų | 108 | 89.8 Ų | 89.8 | 66% | 0.663 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6.4 | 178.6 | 56 | 0 | 0 | 0 | 0 | 113.7 | I42 | I42-T44 HydrophobicContact CG2-CG2 4.42Å; I42-T44 PolarHBondContact O-N 3.15Å |
| 45 | S | 95.6 | Very high | 93.4 | Very high | 100 Ų | 100 | 87.6 Ų | 87.6 | 70% | 0.699 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -15 | 174.9 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | D43 | D43-S45 PolarHBondContact O-N 3.17Å; D43-S45 WeakPolarHBondContact OD1-CA 3.44Å; D43-S45 VanDerWaalsContact OD1-CB 3.31Å; D43-S45 WeakPolarHBondContact OD1-CB 3.5Å; D43-S45 PolarHBondContact OD1-N 2.64Å; D43-S45 PolarHBondContact OD1-OG 3.36Å; D43-S45 PolarHBondContact OD2-OG 3.47Å |
| 46 | C | 94.5 | Very high | 93.5 | Very high | 64 Ų | 64 | 86 Ų | 86 | 43% | 0.432 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -104.4 | 147 | -178.5 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | D43 P63 | D43-C46 HydrophobicContact CB-CB 4.3Å; D43-C46 PolarHBondContact OD2-SG 3.03Å; C46-P63 HydrophobicContact CB-CB 4.35Å; C46-P63 HydrophobicContact CB-CG 3.52Å |
| 47 | E | 95.8 | Very high | 93.8 | Very high | 189 Ų | 189 | 84 Ų | 84 | 88% | 0.883 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 143.5 | 176 | -64.7 | -175.5 | 168.6 | 0 | 0 | 111.4 | ||
| 48 | G | 94.6 | Very high | 94.2 | Very high | 44 Ų | 44 | 78.4 Ų | 78.4 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 162.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T61 | G48-T61 CarbonylContact C-O 3.55Å; G48-T61 VanDerWaalsContact CA-O 3.28Å; G48-T61 WeakPolarHBondContact CA-O 3.16Å |
| 49 | E | 96.3 | Very high | 94.6 | Very high | 116 Ų | 116 | 74.2 Ų | 74.2 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.9 | 175.6 | -156.8 | -175.2 | 159.3 | 0 | 0 | 110.6 | Q51 I60 T61 | E49-Q51 PolarHBondContact OE1-NE2 2.93Å; E49-Q51 PolarHBondContact OE2-NE2 3.39Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.31Å; E49-I60 WeakPolarHBondContact O-CA 3.35Å; E49-T61 PolarHBondContact N-O 3.39Å; E49-T61 PolarHBondContact O-N 3.41Å |
| 50 | L | 96.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 74.5 Ų | 74.5 | 51% | 0.508 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 114.2 | 175.9 | 174.1 | 73 | 0 | 0 | 0 | 108.7 | V58 T59 I60 | L50-V58 HydrophobicContact CD1-CG1 3.34Å; L50-T59 CarbonylContact C-O 3.46Å; L50-T59 WeakPolarHBondContact CA-O 3.38Å; L50-I60 HydrophobicContact CD1-CD1 4.18Å; L50-I60 HydrophobicContact CD1-CG1 3.58Å |
| 51 | Q | 96.2 | Very high | 95.1 | Very high | 58 Ų | 58 | 70.5 Ų | 70.5 | 27% | 0.271 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.9 | 173.6 | -53 | 88.8 | -1.5 | 0 | 0 | 111.1 | E49 V58 T59 | E49-Q51 PolarHBondContact OE1-NE2 2.93Å; E49-Q51 PolarHBondContact OE2-NE2 3.39Å; Q51-V58 WeakPolarHBondContact O-CA 3.31Å; Q51-T59 PolarHBondContact N-O 2.93Å; Q51-T59 PolarHBondContact O-N 3.49Å; Q51-T59 PolarHBondContact OE1-O 3.28Å; Q51-T59 VanDerWaalsContact OE1-O 3.1Å |
| 52 | V | 94.5 | Very high | 95.2 | Very high | 109 Ų | 109 | 71 Ų | 71 | 66% | 0.661 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 112.9 | 168.4 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | ||
| 53 | G | 92.9 | Very high | 95.3 | Very high | 37 Ų | 37 | 71.6 Ų | 71.6 | 38% | 0.381 | 42% | 0.416 | S | S | . | . | trans | -81.9 | -161.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E57 | G53-E57 PolarHBondContact N-O 3.25Š| ||
| 54 | K | 92.8 | Very high | 95.3 | Very high | 199 Ų | 199 | 71.3 Ų | 71.3 | 87% | 0.865 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -71.4 | 136.4 | 177.8 | -167.1 | 178.1 | -179.6 | -178.6 | 0 | 110.3 | D56 E57 | K54-D56 PolarHBondContact O-N 2.78Å; K54-E57 PolarHBondContact O-N 3.33Å |
| 55 | G | 93.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 70.2 Ų | 70.2 | 67% | 0.67 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | -120.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 56 | D | 94.7 | Very high | 95.3 | Very high | 81 Ų | 81 | 71.2 Ų | 71.2 | 43% | 0.433 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 7.4 | -178.4 | -66.6 | -48.8 | 0 | 0 | 0 | 113 | K54 N78 K79 | K54-D56 PolarHBondContact O-N 2.78Å; D56-N78 HydrophobicContact CB-CB 4.43Å; D56-N78 CarbonylContact O-C 3.53Å; D56-N78 WeakPolarHBondContact O-CA 3.48Å; D56-K79 HydrophobicContact CB-CB 4.12Å; D56-K79 PolarHBondContact O-N 3.47Å |
| 57 | E | 96.7 | Very high | 95.2 | Very high | 76 Ų | 76 | 72.1 Ų | 72.1 | 36% | 0.355 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 136.3 | -177.3 | -173.7 | 175.3 | 155.1 | 0 | 0 | 111.7 | G53 K54 K76 | G53-E57 PolarHBondContact N-O 3.25Å; K54-E57 PolarHBondContact O-N 3.33Å; E57-K76 IonicContact OE1-NZ 2.63Å |
| 58 | V | 97 | Very high | 95 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.8 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | L50 Q51 I60 K76 G77 K79 I106 | L50-V58 HydrophobicContact CD1-CG1 3.34Å; Q51-V58 WeakPolarHBondContact O-CA 3.31Å; V58-I60 HydrophobicContact CG1-CG1 4.21Å; V58-K76 WeakPolarHBondContact O-CA 3.49Å; V58-G77 PolarHBondContact N-O 2.79Å; V58-G77 PolarHBondContact O-N 2.9Å; V58-K79 HydrophobicContact CG2-CB 4.41Å; V58-I106 HydrophobicContact CB-CG2 4Å; V58-I106 HydrophobicContact CG1-CD1 4.5Å; V58-I106 HydrophobicContact CG1-CG2 4.13Å; V58-I106 HydrophobicContact CG2-CD1 4.23Å; V58-I106 HydrophobicContact CG2-CG1 4.48Å; V58-I106 HydrophobicContact CG2-CG2 4.17Å |
| 59 | T | 96.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 12% | 0.123 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.6 | 171.7 | -60 | 0 | 0 | 0 | 0 | 109 | L50 Q51 V74 F75 K76 | L50-T59 CarbonylContact C-O 3.46Å; L50-T59 WeakPolarHBondContact CA-O 3.38Å; Q51-T59 PolarHBondContact N-O 2.93Å; Q51-T59 PolarHBondContact O-N 3.49Å; Q51-T59 PolarHBondContact OE1-O 3.28Å; Q51-T59 VanDerWaalsContact OE1-O 3.1Å; T59-V74 HydrophobicContact CG2-CG1 3.61Å; T59-F75 CarbonylContact C-O 3.55Å; T59-F75 WeakPolarHBondContact CA-O 3.28Å; T59-K76 HydrophobicContact CG2-CG 4.18Å |
| 60 | I | 95.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.077 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.8 | 177.5 | -55.2 | 176 | 0 | 0 | 0 | 107.9 | I33 E49 L50 V58 L62 V74 F75 V108 | I33-I60 HydrophobicContact CD1-CD1 3.91Å; I33-I60 HydrophobicContact CG1-CD1 4.38Å; I33-I60 HydrophobicContact CG2-CD1 3.5Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.31Å; E49-I60 WeakPolarHBondContact O-CA 3.35Å; L50-I60 HydrophobicContact CD1-CD1 4.18Å; L50-I60 HydrophobicContact CD1-CG1 3.58Å; V58-I60 HydrophobicContact CG1-CG1 4.21Å; I60-L62 HydrophobicContact CG2-CD2 3.92Å; I60-L62 HydrophobicContact CG2-CG 4.01Å; I60-V74 CarbonylContact O-C 3.44Å; I60-V74 WeakPolarHBondContact O-CA 3.31Å; I60-F75 HydrophobicContact CB-CB 4.26Å; I60-F75 PolarHBondContact N-O 3.48Å; I60-F75 PolarHBondContact O-N 2.85Å; I60-V108 HydrophobicContact CD1-CG1 3.88Å; I60-V108 HydrophobicContact CD1-CG2 4.33Å |
| 61 | T | 95.9 | Very high | 94.2 | Very high | 23 Ų | 23 | 66 Ų | 66 | 14% | 0.141 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.4 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 109 | G48 E49 M72 V74 | G48-T61 CarbonylContact C-O 3.55Å; G48-T61 VanDerWaalsContact CA-O 3.28Å; G48-T61 WeakPolarHBondContact CA-O 3.16Å; E49-T61 PolarHBondContact N-O 3.39Å; E49-T61 PolarHBondContact O-N 3.41Å; T61-M72 HydrophobicContact CG2-CB 4.19Å; T61-M72 HydrophobicContact CG2-CG 4.22Å; T61-M72 HydrophobicContact CG2-SD 3.5Å; T61-M72 WeakPolarHBondContact CG2-SD 3.26Å; T61-V74 HydrophobicContact CG2-CG2 4.3Å |
| 62 | L | 95.6 | Very high | 94.1 | Very high | 42 Ų | 42 | 67.6 Ų | 67.6 | 22% | 0.22 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.7 | 178.9 | -60.8 | -178.8 | 0 | 0 | 0 | 110.3 | I42 I60 M72 T73 F75 | I42-L62 HydrophobicContact CD1-CB 4.29Å; I42-L62 HydrophobicContact CD1-CD1 3.73Å; I42-L62 HydrophobicContact CG1-CB 4.36Å; I42-L62 HydrophobicContact CG2-CB 4.42Å; I60-L62 HydrophobicContact CG2-CD2 3.92Å; I60-L62 HydrophobicContact CG2-CG 4.01Å; L62-M72 CarbonylContact O-C 3.45Å; L62-M72 VanDerWaalsContact O-CA 3.3Å; L62-M72 WeakPolarHBondContact O-CA 3.46Å; L62-M72 WeakPolarHBondContact O-CB 3.39Å; L62-T73 PolarHBondContact N-O 3.3Å; L62-T73 PolarHBondContact O-N 2.82Å; L62-F75 HydrophobicContact CD1-CD2 4.37Å; L62-F75 HydrophobicContact CD1-CE2 3.97Å |
| 63 | P | 95.8 | Very high | 94.1 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 22% | 0.221 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 155.5 | 178.2 | 30.2 | -35 | 0 | 0 | 0 | 111.4 | I42 D43 C46 | I42-P63 WeakPolarHBondContact CA-O 3.37Å; D43-P63 PolarHBondContact N-O 2.92Å; C46-P63 HydrophobicContact CB-CB 4.35Å; C46-P63 HydrophobicContact CB-CG 3.52Å |
| 64 | H | 95.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -102.8 | 162.9 | 169.4 | -69.3 | -175.6 | 0 | 0 | 0 | 111.7 | S41 S68 P70 P71 T73 | S41-H64 CarbonylContact O-C 3.55Å; S41-H64 WeakPolarHBondContact O-CA 3.41Å; S41-H64 WeakPolarHBondContact O-CB 3.47Å; S41-H64 PolarHBondContact OG-CE1 2.92Å; S41-H64 PolarHBondContact OG-ND1 2.93Å; S41-H64 PolarHBondContact OG-NE2 3.3Å; H64-S68 VanDerWaalsContact CB-CB 3.47Å; H64-P70 PolarHBondContact ND1-O 3.19Å; H64-P71 WeakPolarHBondContact CB-O 3.44Å; H64-P71 PolarHBondContact N-O 2.89Å; H64-T73 PolarHBondContact CE1-OG1 3.01Å; H64-T73 PolarHBondContact NE2-OG1 2.85Å |
| 65 | I | 95.7 | Very high | 94.3 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 44% | 0.441 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 145.1 | 172.7 | 60.1 | 176.4 | 0 | 0 | 0 | 110.2 | S41 D43 G67 S68 | S41-I65 PolarHBondContact O-N 2.63Å; D43-I65 HydrophobicContact CB-CG2 3.98Å; I65-G67 PolarHBondContact O-N 3.16Å; I65-S68 VanDerWaalsContact CG1-OG 3.25Å; I65-S68 WeakPolarHBondContact CG1-OG 3.31Å; I65-S68 WeakPolarHBondContact O-CB 3.4Å; I65-S68 PolarHBondContact O-N 2.92Å; I65-S68 VanDerWaalsContact O-N 3.14Å; I65-S68 PolarHBondContact O-OG 3.03Å |
| 66 | P | 94.1 | Very high | 94.4 | Very high | 121 Ų | 121 | 54.8 Ų | 54.8 | 79% | 0.786 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 134.3 | 179.4 | -28.3 | 35.1 | 0 | 0 | 0 | 112.7 | ||
| 67 | G | 92.5 | Very high | 94.5 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 85% | 0.845 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | -6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I65 | I65-G67 PolarHBondContact O-N 3.16Š|
| 68 | S | 91.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | trans | -71.8 | 143.2 | 174.4 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | H64 I65 P70 | H64-S68 VanDerWaalsContact CB-CB 3.47Å; I65-S68 VanDerWaalsContact CG1-OG 3.25Å; I65-S68 WeakPolarHBondContact CG1-OG 3.31Å; I65-S68 WeakPolarHBondContact O-CB 3.4Å; I65-S68 PolarHBondContact O-N 2.92Å; I65-S68 VanDerWaalsContact O-N 3.14Å; I65-S68 PolarHBondContact O-OG 3.03Å; S68-P70 CarbonylContact C-O 3.59Å; S68-P70 CarbonylContact O-C 3.44Å | ||
| 69 | T | 90.3 | Very high | 94.4 | Very high | 135 Ų | 135 | 55.2 Ų | 55.2 | 83% | 0.828 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -125.8 | 118 | 171.5 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 70 | P | 89.5 | Confident | 94.3 | Very high | 70 Ų | 70 | 62.5 Ų | 62.5 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | S | Bend | cis | -67.9 | 164.3 | -2.5 | 31.5 | -36.6 | 0 | 0 | 0 | 112.7 | H64 S68 M72 | H64-P70 PolarHBondContact ND1-O 3.19Å; S68-P70 CarbonylContact C-O 3.59Å; S68-P70 CarbonylContact O-C 3.44Å; P70-M72 PolarHBondContact O-N 3.04Å |
| 71 | P | 92.2 | Very high | 94.2 | Very high | 86 Ų | 86 | 66.5 Ų | 66.5 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -76.5 | -6.6 | -176.8 | 31.1 | -37 | 0 | 0 | 0 | 114.3 | H64 | H64-P71 WeakPolarHBondContact CB-O 3.44Å; H64-P71 PolarHBondContact N-O 2.89Å |
| 72 | M | 93.8 | Very high | 93.9 | Very high | 92 Ų | 92 | 67.5 Ų | 67.5 | 45% | 0.453 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 164.4 | -176.5 | 63.1 | -175.9 | 71.8 | 0 | 0 | 111.3 | T61 L62 P70 | T61-M72 HydrophobicContact CG2-CB 4.19Å; T61-M72 HydrophobicContact CG2-CG 4.22Å; T61-M72 HydrophobicContact CG2-SD 3.5Å; T61-M72 WeakPolarHBondContact CG2-SD 3.26Å; L62-M72 CarbonylContact O-C 3.45Å; L62-M72 VanDerWaalsContact O-CA 3.3Å; L62-M72 WeakPolarHBondContact O-CA 3.46Å; L62-M72 WeakPolarHBondContact O-CB 3.39Å; P70-M72 PolarHBondContact O-N 3.04Å |
| 73 | T | 93.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.018 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.6 | 167.7 | -71.2 | 0 | 0 | 0 | 0 | 110.6 | P39 L62 H64 F75 K110 | P39-T73 HydrophobicContact CG-CG2 4.22Å; L62-T73 PolarHBondContact N-O 3.3Å; L62-T73 PolarHBondContact O-N 2.82Å; H64-T73 PolarHBondContact CE1-OG1 3.01Å; H64-T73 PolarHBondContact NE2-OG1 2.85Å; T73-F75 HydrophobicContact CG2-CD2 3.89Å; T73-F75 HydrophobicContact CG2-CE1 4.41Å; T73-F75 HydrophobicContact CG2-CE2 3.36Å; T73-F75 HydrophobicContact CG2-CZ 3.67Å; T73-K110 HydrophobicContact CG2-CD 3.85Å; T73-K110 HydrophobicContact CG2-CG 3.81Å |
| 74 | V | 94.8 | Very high | 92.7 | Very high | 41 Ų | 41 | 76.1 Ų | 76.1 | 25% | 0.248 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.9 | 176 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | T59 I60 T61 K76 T111 | T59-V74 HydrophobicContact CG2-CG1 3.61Å; I60-V74 CarbonylContact O-C 3.44Å; I60-V74 WeakPolarHBondContact O-CA 3.31Å; T61-V74 HydrophobicContact CG2-CG2 4.3Å; V74-K76 HydrophobicContact CG1-CG 4.43Å; V74-T111 PolarHBondContact O-N 3.15Å |
| 75 | F | 95.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 78.9 Ų | 78.9 | 1% | 0.013 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.6 | 170.6 | -62.5 | -95.6 | 0 | 0 | 0 | 109.6 | F37 I42 T59 I60 L62 T73 V108 K109 K110 | F37-F75 WeakPolarHBondContact O-CE1 3.34Å; F37-F75 WeakPolarHBondContact O-CZ 3.17Å; I42-F75 HydrophobicContact CD1-CE2 4.35Å; T59-F75 CarbonylContact C-O 3.55Å; T59-F75 WeakPolarHBondContact CA-O 3.28Å; I60-F75 HydrophobicContact CB-CB 4.26Å; I60-F75 PolarHBondContact N-O 3.48Å; I60-F75 PolarHBondContact O-N 2.85Å; L62-F75 HydrophobicContact CD1-CD2 4.37Å; L62-F75 HydrophobicContact CD1-CE2 3.97Å; T73-F75 HydrophobicContact CG2-CD2 3.89Å; T73-F75 HydrophobicContact CG2-CE1 4.41Å; T73-F75 HydrophobicContact CG2-CE2 3.36Å; T73-F75 HydrophobicContact CG2-CZ 3.67Å; F75-V108 HydrophobicContact CB-CB 3.82Å; F75-V108 HydrophobicContact CB-CG2 3.64Å; F75-V108 HydrophobicContact CD1-CG2 4.01Å; F75-V108 HydrophobicContact CG-CG2 4.07Å; F75-K109 CarbonylContact C-O 3.54Å; F75-K109 VanDerWaalsContact CA-O 3.26Å; F75-K109 WeakPolarHBondContact CA-O 3.24Å; F75-K110 HydrophobicContact CD1-CB 4.15Å; F75-K110 HydrophobicContact CE1-CB 3.98Å |
| 76 | K | 96 | Very high | 92.4 | Very high | 93 Ų | 93 | 76.7 Ų | 76.7 | 40% | 0.404 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.1 | 176 | -72.2 | -170.6 | 174.4 | -159.6 | 0 | 110.9 | E57 V58 T59 V74 V108 K109 T111 | E57-K76 IonicContact OE1-NZ 2.63Å; V58-K76 WeakPolarHBondContact O-CA 3.49Å; T59-K76 HydrophobicContact CG2-CG 4.18Å; V74-K76 HydrophobicContact CG1-CG 4.43Å; K76-V108 CarbonylContact O-C 3.42Å; K76-V108 VanDerWaalsContact O-CA 3.31Å; K76-V108 WeakPolarHBondContact O-CA 3.46Å; K76-K109 PolarHBondContact N-O 2.8Å; K76-K109 PolarHBondContact O-N 2.85Å; K76-T111 WeakPolarHBondContact CG-OG1 3.36Å |
| 77 | G | 96 | Very high | 92.4 | Very high | 8 Ų | 8 | 73.3 Ų | 73.3 | 8% | 0.082 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | -170.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V58 Q107 | V58-G77 PolarHBondContact N-O 2.79Å; V58-G77 PolarHBondContact O-N 2.9Å; G77-Q107 VanDerWaalsContact CA-O 3.24Å; G77-Q107 WeakPolarHBondContact CA-O 3.47Å |
| 78 | N | 96.2 | Very high | 92.5 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142.5 | 179.6 | -63.6 | 74 | 0 | 0 | 0 | 111 | D56 | D56-N78 HydrophobicContact CB-CB 4.43Å; D56-N78 CarbonylContact O-C 3.53Å; D56-N78 WeakPolarHBondContact O-CA 3.48Å |
| 79 | K | 95.2 | Very high | 92.6 | Very high | 69 Ų | 69 | 75.4 Ų | 75.4 | 30% | 0.3 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 133.7 | 170.9 | -174.8 | 174.2 | 170.3 | -77.9 | 0 | 110.2 | D56 V58 S104 I106 | D56-K79 HydrophobicContact CB-CB 4.12Å; D56-K79 PolarHBondContact O-N 3.47Å; V58-K79 HydrophobicContact CG2-CB 4.41Å; K79-S104 VanDerWaalsContact CE-CB 3.46Å; K79-S104 WeakPolarHBondContact CE-OG 3.27Å; K79-S104 VanDerWaalsContact CG-OG 3.28Å; K79-S104 WeakPolarHBondContact CG-OG 3.31Å; K79-I106 HydrophobicContact CB-CG1 4.47Å |
| 80 | R | 95 | Very high | 92.8 | Very high | 172 Ų | 172 | 71 Ų | 71 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.1 | 171.3 | -65.5 | -65.6 | -166.8 | 173.8 | 2 | 108.9 | S104 S105 | R80-S104 CarbonylContact O-C 3.44Å; R80-S104 WeakPolarHBondContact O-CA 3.26Å; R80-S104 WeakPolarHBondContact O-CB 3.05Å; R80-S105 PolarHBondContact N-O 2.79Å; R80-S105 PolarHBondContact O-N 2.74Å |
| 81 | P | 93.3 | Very high | 92.9 | Very high | 99 Ų | 99 | 70.5 Ų | 70.5 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 139.3 | -179.6 | 26.6 | -33.5 | 0 | 0 | 0 | 111.1 | S103 | P81-S103 WeakPolarHBondContact CA-O 3.46Å |
| 82 | Y | 90 | Very high | 92.7 | Very high | 45 Ų | 45 | 71.3 Ų | 71.3 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | trans | -79 | 155.4 | 163.3 | -83.7 | -67.2 | 0 | 0 | 0 | 109.6 | T32 R34 D85 L102 S103 S104 S105 | T32-Y82 HydrophobicContact CG2-CE2 3.85Å; T32-Y82 WeakPolarHBondContact CG2-OH 3.46Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.47Å; T32-Y82 PolarHBondContact OG1-OH 3.21Å; R34-Y82 PolarHBondContact NH1-OH 3.25Å; Y82-D85 HydrophobicContact CD1-CB 3.69Å; Y82-D85 VanDerWaalsContact CD1-OD2 3.29Å; Y82-D85 WeakPolarHBondContact CD1-OD2 3.42Å; Y82-D85 HydrophobicContact CE1-CB 4.12Å; Y82-D85 WeakPolarHBondContact CE1-OD2 3.22Å; Y82-D85 HydrophobicContact CG-CB 4.01Å; Y82-L102 VanDerWaalsContact CB-O 3.27Å; Y82-L102 WeakPolarHBondContact CB-O 3.12Å; Y82-L102 HydrophobicContact CD2-CB 3.54Å; Y82-L102 HydrophobicContact CE2-CB 3.99Å; Y82-L102 HydrophobicContact CE2-CD1 4.21Å; Y82-L102 HydrophobicContact CG-CB 4.05Å; Y82-S103 PolarHBondContact N-O 2.87Å; Y82-S103 VanDerWaalsContact N-O 3.16Å; Y82-S104 WeakPolarHBondContact CE2-O 3.37Å; Y82-S105 VanDerWaalsContact CE2-N 3.31Å | ||
| 83 | Q | 81.3 | Confident | 92.6 | Very high | 163 Ų | 163 | 74.6 Ų | 74.6 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -103.6 | -51.8 | 178.1 | -67.5 | -174.5 | -14.3 | 0 | 0 | 111.8 | ||
| 84 | K | 84.2 | Confident | 92.6 | Very high | 93 Ų | 93 | 78.3 Ų | 78.3 | 40% | 0.404 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -140.3 | 27.8 | -167.9 | -61.8 | -176.6 | 176.6 | -169.9 | 0 | 112.5 | L257 | K84-L257 HydrophobicContact CB-CD2 4.06Å; K84-L257 VanDerWaalsContact CD-O 3.31Å; K84-L257 WeakPolarHBondContact CD-O 3.45Å; K84-L257 VanDerWaalsContact CE-O 3.25Å; K84-L257 WeakPolarHBondContact CE-O 3.02Å; K84-L257 PolarHBondContact NZ-O 2.92Å; K84-L257 VanDerWaalsContact NZ-O 3.12Å |
| 85 | D | 91.5 | Very high | 92.3 | Very high | 75 Ų | 75 | 78.5 Ų | 78.5 | 40% | 0.401 | 41% | 0.406 | S | S | . | . | trans | -101.7 | 139.3 | -175.7 | -64.6 | 40.3 | 0 | 0 | 0 | 108.9 | Y82 L102 | Y82-D85 HydrophobicContact CD1-CB 3.69Å; Y82-D85 VanDerWaalsContact CD1-OD2 3.29Å; Y82-D85 WeakPolarHBondContact CD1-OD2 3.42Å; Y82-D85 HydrophobicContact CE1-CB 4.12Å; Y82-D85 WeakPolarHBondContact CE1-OD2 3.22Å; Y82-D85 HydrophobicContact CG-CB 4.01Å; D85-L102 HydrophobicContact CB-CB 4.07Å; D85-L102 HydrophobicContact CB-CD1 3.9Å; D85-L102 WeakPolarHBondContact O-CB 3.29Å; D85-L102 PolarHBondContact O-N 3.17Å | ||
| 86 | C | 93.7 | Very high | 92.1 | Very high | 41 Ų | 41 | 81.7 Ų | 81.7 | 28% | 0.277 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 159.4 | 178 | -61.5 | 0 | 0 | 0 | 0 | 109.7 | L99 E100 | C86-L99 HydrophobicContact CB-CD1 3.64Å; C86-L99 HydrophobicContact CB-CD2 4.3Å; C86-L99 HydrophobicContact CB-CG 3.89Å; C86-E100 CarbonylContact C-O 3.52Å; C86-E100 WeakPolarHBondContact CA-O 3.34Å; C86-E100 VanDerWaalsContact CB-O 3.3Å; C86-E100 WeakPolarHBondContact CB-O 3.44Å |
| 87 | V | 94.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 78.4 Ų | 78.4 | 30% | 0.303 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.7 | 168.7 | 62.3 | 0 | 0 | 0 | 0 | 108.5 | F30 I89 E100 L102 | F30-V87 HydrophobicContact CB-CG1 4.48Å; F30-V87 HydrophobicContact CD1-CG1 4.19Å; F30-V87 HydrophobicContact CG-CG1 4.34Å; V87-I89 HydrophobicContact CG1-CG1 4.43Å; V87-E100 HydrophobicContact CG1-CB 3.87Å; V87-E100 PolarHBondContact N-O 3.48Å; V87-E100 PolarHBondContact O-N 2.76Å; V87-L102 HydrophobicContact CB-CD2 4.42Å; V87-L102 HydrophobicContact CB-CG 4.47Å; V87-L102 HydrophobicContact CG1-CD2 4.39Å |
| 88 | L | 94.8 | Very high | 92 | Very high | 85 Ų | 85 | 79.4 Ų | 79.4 | 45% | 0.445 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.6 | 171.3 | 179.3 | 63.5 | 0 | 0 | 0 | 108.3 | L16 I90 L99 | L16-L88 HydrophobicContact CD1-CD1 3.64Å; L88-I90 HydrophobicContact CD2-CD1 4.17Å; L88-I90 HydrophobicContact CD2-CG1 4.27Å; L88-I90 HydrophobicContact CG-CD1 4.45Å; L88-I90 HydrophobicContact CG-CG1 4.05Å; L88-L99 HydrophobicContact CB-CD1 4.36Å |
| 89 | I | 93.9 | Very high | 92 | Very high | 68 Ų | 68 | 76.2 Ų | 76.2 | 35% | 0.349 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122 | 176.7 | -56.6 | 176.1 | 0 | 0 | 0 | 107.4 | F30 V87 V98 E100 | F30-I89 HydrophobicContact CE1-CD1 3.73Å; F30-I89 HydrophobicContact CZ-CD1 4.02Å; V87-I89 HydrophobicContact CG1-CG1 4.43Å; I89-V98 PolarHBondContact N-O 3.25Å; I89-V98 PolarHBondContact O-N 3.4Å; I89-E100 HydrophobicContact CD1-CG 3.83Å |
| 90 | I | 93.7 | Very high | 92 | Very high | 42 Ų | 42 | 73.7 Ų | 73.7 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.2 | 179 | -54.2 | 174.3 | 0 | 0 | 0 | 107.4 | L9 L88 H92 E96 Y97 | L9-I90 HydrophobicContact CD2-CD1 3.55Å; L88-I90 HydrophobicContact CD2-CD1 4.17Å; L88-I90 HydrophobicContact CD2-CG1 4.27Å; L88-I90 HydrophobicContact CG-CD1 4.45Å; L88-I90 HydrophobicContact CG-CG1 4.05Å; I90-H92 VanDerWaalsContact CG2-CE1 3.47Å; I90-H92 WeakPolarHBondContact CG2-CE1 3.12Å; I90-E96 WeakPolarHBondContact CA-O 3.46Å; I90-Y97 HydrophobicContact CB-CE1 4.46Å; I90-Y97 HydrophobicContact CD1-CD1 4.03Å; I90-Y97 HydrophobicContact CD1-CE1 3.71Å; I90-Y97 HydrophobicContact CG1-CD1 3.77Å; I90-Y97 HydrophobicContact CG1-CE1 3.85Å; I90-Y97 HydrophobicContact CG2-CD1 4.22Å; I90-Y97 HydrophobicContact CG2-CE1 3.8Å; I90-Y97 HydrophobicContact CG2-CE2 4.07Å |
| 91 | N | 92.2 | Very high | 92 | Very high | 60 Ų | 60 | 68.3 Ų | 68.3 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 108.7 | 172.7 | -175 | -21.8 | 0 | 0 | 0 | 108.9 | D93 T94 G95 E96 | N91-D93 VanDerWaalsContact C-N 3.31Å; N91-D93 PolarHBondContact O-N 2.96Å; N91-D93 WeakPolarHBondContact OD1-CB 3.46Å; N91-D93 PolarHBondContact OD1-N 2.74Å; N91-T94 WeakPolarHBondContact CB-OG1 3.28Å; N91-T94 PolarHBondContact ND2-OG1 2.96Å; N91-T94 PolarHBondContact OD1-N 3.44Å; N91-G95 VanDerWaalsContact O-CA 3.27Å; N91-G95 WeakPolarHBondContact O-CA 3.32Å; N91-G95 PolarHBondContact O-N 3.25Å; N91-E96 HydrophobicContact CB-CB 4.46Å; N91-E96 PolarHBondContact N-O 3.23Å; N91-E96 PolarHBondContact O-N 2.94Å |
| 92 | H | 88.2 | Confident | 92.1 | Very high | 103 Ų | 103 | 64.6 Ų | 64.6 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -22.2 | -178.7 | -64.9 | -69.7 | 0 | 0 | 0 | 113.8 | L8 I90 | L8-H92 WeakPolarHBondContact CD2-CE1 3.31Å; L8-H92 WeakPolarHBondContact CD2-NE2 3.42Å; L8-H92 WeakPolarHBondContact CG-CE1 3.32Å; I90-H92 VanDerWaalsContact CG2-CE1 3.47Å; I90-H92 WeakPolarHBondContact CG2-CE1 3.12Å |
| 93 | D | 91.6 | Very high | 92.2 | Very high | 160 Ų | 160 | 64.2 Ų | 64.2 | 86% | 0.856 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -36.7 | 178.3 | -60.4 | -35.4 | 0 | 0 | 0 | 111.1 | N91 | N91-D93 VanDerWaalsContact C-N 3.31Å; N91-D93 PolarHBondContact O-N 2.96Å; N91-D93 WeakPolarHBondContact OD1-CB 3.46Å; N91-D93 PolarHBondContact OD1-N 2.74Å |
| 94 | T | 92.3 | Very high | 92.9 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -15.9 | -178.8 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | N91 E96 | N91-T94 WeakPolarHBondContact CB-OG1 3.28Å; N91-T94 PolarHBondContact ND2-OG1 2.96Å; N91-T94 PolarHBondContact OD1-N 3.44Å; T94-E96 VanDerWaalsContact C-N 3.28Å; T94-E96 WeakPolarHBondContact OG1-CB 3.08Å; T94-E96 WeakPolarHBondContact OG1-CG 3.27Å; T94-E96 PolarHBondContact OG1-N 3.1Å; T94-E96 PolarHBondContact OG1-OE2 2.59Å |
| 95 | G | 88.5 | Confident | 93.4 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 46% | 0.464 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 17.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N91 Y97 | N91-G95 VanDerWaalsContact O-CA 3.27Å; N91-G95 WeakPolarHBondContact O-CA 3.32Å; N91-G95 PolarHBondContact O-N 3.25Å; G95-Y97 VanDerWaalsContact O-CD2 3.31Å; G95-Y97 WeakPolarHBondContact O-CD2 3.45Å |
| 96 | E | 92.8 | Very high | 93.6 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.9 | -176.4 | -68.9 | -176.6 | 119.9 | 0 | 0 | 112.7 | R17 I90 N91 T94 V98 | R17-E96 IonicContact CZ-OE1 3.3Å; R17-E96 IonicContact NH1-OE1 3.52Å; R17-E96 PolarHBondContact NH1-OE1 3.3Å; I90-E96 WeakPolarHBondContact CA-O 3.46Å; N91-E96 HydrophobicContact CB-CB 4.46Å; N91-E96 PolarHBondContact N-O 3.23Å; N91-E96 PolarHBondContact O-N 2.94Å; T94-E96 VanDerWaalsContact C-N 3.28Å; T94-E96 WeakPolarHBondContact OG1-CB 3.08Å; T94-E96 WeakPolarHBondContact OG1-CG 3.27Å; T94-E96 PolarHBondContact OG1-N 3.1Å; T94-E96 PolarHBondContact OG1-OE2 2.59Å; E96-V98 HydrophobicContact CB-CG2 4.49Å |
| 97 | Y | 94.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 9% | 0.09 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 106.9 | 177.1 | -69.9 | -112.6 | 0 | 0 | 0 | 108.4 | L9 H14 R17 I90 G95 | L9-Y97 HydrophobicContact CD2-CE1 4.45Å; H14-Y97 HydrophobicContact CB-CD1 4.02Å; H14-Y97 HydrophobicContact CB-CD2 3.58Å; H14-Y97 HydrophobicContact CB-CE1 4.07Å; H14-Y97 HydrophobicContact CB-CE2 3.69Å; H14-Y97 HydrophobicContact CB-CG 3.79Å; H14-Y97 AromaticContact CD2-CE1 3.9Å; H14-Y97 AromaticContact CD2-CE2 3.94Å; H14-Y97 AromaticContact CD2-CZ 3.51Å; H14-Y97 PolarHBondContact CD2-OH 2.85Å; H14-Y97 AromaticContact CE1-CE2 3.78Å; H14-Y97 AromaticContact CE1-CZ 3.81Å; H14-Y97 PolarHBondContact CE1-OH 2.98Å; H14-Y97 AromaticContact CG-CD2 3.77Å; H14-Y97 AromaticContact CG-CE1 3.88Å; H14-Y97 AromaticContact CG-CE2 3.31Å; H14-Y97 AromaticContact CG-CZ 3.36Å; H14-Y97 AromaticContact ND1-CD2 3.89Å; H14-Y97 AromaticContact ND1-CE2 3.22Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.35Å; H14-Y97 AromaticContact ND1-CZ 3.6Å; H14-Y97 AromaticContact NE2-CZ 3.77Å; H14-Y97 PolarHBondContact NE2-OH 3.31Å; R17-Y97 PolarHBondContact N-O 3.43Å; I90-Y97 HydrophobicContact CB-CE1 4.46Å; I90-Y97 HydrophobicContact CD1-CD1 4.03Å; I90-Y97 HydrophobicContact CD1-CE1 3.71Å; I90-Y97 HydrophobicContact CG1-CD1 3.77Å; I90-Y97 HydrophobicContact CG1-CE1 3.85Å; I90-Y97 HydrophobicContact CG2-CD1 4.22Å; I90-Y97 HydrophobicContact CG2-CE1 3.8Å; I90-Y97 HydrophobicContact CG2-CE2 4.07Å; G95-Y97 VanDerWaalsContact O-CD2 3.31Å; G95-Y97 WeakPolarHBondContact O-CD2 3.45Å |
| 98 | V | 95 | Very high | 93.8 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.6 | -174.8 | -173.8 | 0 | 0 | 0 | 0 | 110 | R17 I89 E96 E100 | R17-V98 HydrophobicContact CB-CG2 4.38Å; R17-V98 CarbonylContact O-C 3.5Å; R17-V98 WeakPolarHBondContact O-CA 3.31Å; I89-V98 PolarHBondContact N-O 3.25Å; I89-V98 PolarHBondContact O-N 3.4Å; E96-V98 HydrophobicContact CB-CG2 4.49Å; V98-E100 HydrophobicContact CG1-CG 4.17Å |
| 99 | L | 95.7 | Very high | 93.8 | Very high | 26 Ų | 26 | 54.4 Ų | 54.4 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.6 | 170 | -164.1 | 68.8 | 0 | 0 | 0 | 109.4 | L16 R17 L18 G19 F22 C86 L88 L253 | L16-L99 HydrophobicContact CD1-CB 4.07Å; L16-L99 HydrophobicContact CD2-CB 4.47Å; L16-L99 HydrophobicContact CD2-CD2 4.41Å; L16-L99 HydrophobicContact CG-CB 4.41Å; R17-L99 PolarHBondContact O-N 3.46Å; L18-L99 HydrophobicContact CD2-CB 4.11Å; L18-L99 HydrophobicContact CD2-CD2 4.14Å; G19-L99 PolarHBondContact N-O 3.29Å; F22-L99 WeakPolarHBondContact CD2-O 3.4Å; F22-L99 HydrophobicContact CE2-CB 4.31Å; F22-L99 HydrophobicContact CE2-CD2 4.34Å; F22-L99 HydrophobicContact CE2-CG 4.13Å; F22-L99 WeakPolarHBondContact CE2-O 3.37Å; F22-L99 HydrophobicContact CZ-CD2 4.04Å; F22-L99 HydrophobicContact CZ-CG 4.25Å; C86-L99 HydrophobicContact CB-CD1 3.64Å; C86-L99 HydrophobicContact CB-CD2 4.3Å; C86-L99 HydrophobicContact CB-CG 3.89Å; L88-L99 HydrophobicContact CB-CD1 4.36Å; L99-L253 HydrophobicContact CD2-CD2 4.01Å |
| 100 | E | 95.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.9 | 174.4 | -64.8 | -78.5 | -167.7 | 0 | 0 | 110.1 | G19 E20 S21 F30 C86 V87 I89 V98 | G19-E100 VanDerWaalsContact CA-CD 3.46Å; G19-E100 VanDerWaalsContact CA-OE1 3.27Å; G19-E100 WeakPolarHBondContact CA-OE1 3.37Å; G19-E100 WeakPolarHBondContact CA-OE2 3.43Å; E20-E100 PolarHBondContact N-OE1 3Å; E20-E100 PolarHBondContact N-OE2 3.14Å; S21-E100 WeakPolarHBondContact CB-OE2 3.27Å; S21-E100 PolarHBondContact N-OE2 3.28Å; S21-E100 VanDerWaalsContact OG-CA 3.31Å; S21-E100 WeakPolarHBondContact OG-CA 3.25Å; S21-E100 PolarHBondContact OG-OE2 2.75Å; F30-E100 HydrophobicContact CD2-CB 3.66Å; F30-E100 HydrophobicContact CD2-CG 4.12Å; F30-E100 HydrophobicContact CE1-CB 4.45Å; F30-E100 HydrophobicContact CE1-CG 4.28Å; F30-E100 HydrophobicContact CE2-CB 3.54Å; F30-E100 HydrophobicContact CE2-CG 3.45Å; F30-E100 VanDerWaalsContact CE2-CG 3.45Å; F30-E100 HydrophobicContact CG-CB 4.2Å; F30-E100 HydrophobicContact CZ-CB 3.96Å; F30-E100 HydrophobicContact CZ-CG 3.53Å; C86-E100 CarbonylContact C-O 3.52Å; C86-E100 WeakPolarHBondContact CA-O 3.34Å; C86-E100 VanDerWaalsContact CB-O 3.3Å; C86-E100 WeakPolarHBondContact CB-O 3.44Å; V87-E100 HydrophobicContact CG1-CB 3.87Å; V87-E100 PolarHBondContact N-O 3.48Å; V87-E100 PolarHBondContact O-N 2.76Å; I89-E100 HydrophobicContact CD1-CG 3.83Å; V98-E100 HydrophobicContact CG1-CG 4.17Å |
| 101 | K | 94 | Very high | 93.6 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 130.1 | 175.9 | -172.8 | 175.3 | -171.3 | 166.8 | 0 | 111 | S21 F22 S103 D256 | S21-K101 PolarHBondContact OG-N 3.44Å; F22-K101 HydrophobicContact CE2-CB 4.35Å; F22-K101 HydrophobicContact CZ-CB 4.29Å; K101-S103 PolarHBondContact O-N 3.18Å; K101-D256 IonicContact NZ-OD2 3.58Å; K101-D256 PolarHBondContact NZ-OD2 3.25Å |
| 102 | L | 95.2 | Very high | 93 | Very high | 22 Ų | 22 | 61 Ų | 61 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.4 | 166.9 | -72.8 | 172.7 | 0 | 0 | 0 | 108.9 | F30 T32 Y82 D85 V87 | F30-L102 HydrophobicContact CB-CD2 3.93Å; T32-L102 HydrophobicContact CG2-CD1 4.03Å; T32-L102 HydrophobicContact CG2-CD2 3.95Å; Y82-L102 VanDerWaalsContact CB-O 3.27Å; Y82-L102 WeakPolarHBondContact CB-O 3.12Å; Y82-L102 HydrophobicContact CD2-CB 3.54Å; Y82-L102 HydrophobicContact CE2-CB 3.99Å; Y82-L102 HydrophobicContact CE2-CD1 4.21Å; Y82-L102 HydrophobicContact CG-CB 4.05Å; D85-L102 HydrophobicContact CB-CB 4.07Å; D85-L102 HydrophobicContact CB-CD1 3.9Å; D85-L102 WeakPolarHBondContact O-CB 3.29Å; D85-L102 PolarHBondContact O-N 3.17Å; V87-L102 HydrophobicContact CB-CD2 4.42Å; V87-L102 HydrophobicContact CB-CG 4.47Å; V87-L102 HydrophobicContact CG1-CD2 4.39Å |
| 103 | S | 93.3 | Very high | 92 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -38.9 | -176.4 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | F30 P81 Y82 K101 | F30-S103 WeakPolarHBondContact O-CB 3.48Å; F30-S103 PolarHBondContact O-N 3.33Å; P81-S103 WeakPolarHBondContact CA-O 3.46Å; Y82-S103 PolarHBondContact N-O 2.87Å; Y82-S103 VanDerWaalsContact N-O 3.16Å; K101-S103 PolarHBondContact O-N 3.18Å |
| 104 | S | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 152.5 | 176.8 | 62.5 | 0 | 0 | 0 | 0 | 115.8 | H31 T32 K79 R80 Y82 | H31-S104 VanDerWaalsContact CA-O 3.29Å; H31-S104 WeakPolarHBondContact CA-O 3.03Å; H31-S104 PolarHBondContact ND1-OG 2.81Å; T32-S104 PolarHBondContact N-O 2.84Å; K79-S104 VanDerWaalsContact CE-CB 3.46Å; K79-S104 WeakPolarHBondContact CE-OG 3.27Å; K79-S104 VanDerWaalsContact CG-OG 3.28Å; K79-S104 WeakPolarHBondContact CG-OG 3.31Å; R80-S104 CarbonylContact O-C 3.44Å; R80-S104 WeakPolarHBondContact O-CA 3.26Å; R80-S104 WeakPolarHBondContact O-CB 3.05Å; Y82-S104 WeakPolarHBondContact CE2-O 3.37Å |
| 105 | S | 95.5 | Very high | 88.2 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.7 | 167.6 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | T32 R34 R80 Y82 | T32-S105 WeakPolarHBondContact OG1-CA 3.47Å; R34-S105 VanDerWaalsContact CZ-OG 3.26Å; R34-S105 PolarHBondContact NH1-OG 3.26Å; R34-S105 PolarHBondContact NH2-OG 2.83Å; R80-S105 PolarHBondContact N-O 2.79Å; R80-S105 PolarHBondContact O-N 2.74Å; Y82-S105 VanDerWaalsContact CE2-N 3.31Å |
| 106 | I | 96.6 | Very high | 86.3 | Confident | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.046 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 116.4 | 176.9 | -54.4 | 164.1 | 0 | 0 | 0 | 107 | H31 T32 I33 R34 V58 K79 V108 | H31-I106 HydrophobicContact CB-CD1 4.24Å; T32-I106 WeakPolarHBondContact O-CB 3.34Å; T32-I106 PolarHBondContact O-N 2.79Å; I33-I106 CarbonylContact C-O 3.53Å; I33-I106 WeakPolarHBondContact CA-O 3.42Å; I33-I106 HydrophobicContact CG1-CB 4.16Å; I33-I106 HydrophobicContact CG1-CD1 3.96Å; R34-I106 PolarHBondContact N-O 3.42Å; V58-I106 HydrophobicContact CB-CG2 4Å; V58-I106 HydrophobicContact CG1-CD1 4.5Å; V58-I106 HydrophobicContact CG1-CG2 4.13Å; V58-I106 HydrophobicContact CG2-CD1 4.23Å; V58-I106 HydrophobicContact CG2-CG1 4.48Å; V58-I106 HydrophobicContact CG2-CG2 4.17Å; K79-I106 HydrophobicContact CB-CG1 4.47Å; I106-V108 HydrophobicContact CG2-CG1 3.64Å |
| 107 | Q | 96 | Very high | 83.9 | Confident | 127 Ų | 127 | 59 Ų | 59 | 59% | 0.593 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.5 | 171.8 | -74.4 | 178.3 | -26.2 | 0 | 0 | 108.1 | R34 G77 | R34-Q107 HydrophobicContact CB-CG 4.45Å; R34-Q107 WeakPolarHBondContact O-CA 3.3Å; G77-Q107 VanDerWaalsContact CA-O 3.24Å; G77-Q107 WeakPolarHBondContact CA-O 3.47Å |
| 108 | V | 96.4 | Very high | 81.8 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 149.7 | -177.6 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | I33 R34 I60 F75 K76 I106 | I33-V108 HydrophobicContact CG2-CG1 4.45Å; I33-V108 HydrophobicContact CG2-CG2 4.26Å; R34-V108 PolarHBondContact O-N 3.19Å; I60-V108 HydrophobicContact CD1-CG1 3.88Å; I60-V108 HydrophobicContact CD1-CG2 4.33Å; F75-V108 HydrophobicContact CB-CB 3.82Å; F75-V108 HydrophobicContact CB-CG2 3.64Å; F75-V108 HydrophobicContact CD1-CG2 4.01Å; F75-V108 HydrophobicContact CG-CG2 4.07Å; K76-V108 CarbonylContact O-C 3.42Å; K76-V108 VanDerWaalsContact O-CA 3.31Å; K76-V108 WeakPolarHBondContact O-CA 3.46Å; I106-V108 HydrophobicContact CG2-CG1 3.64Å |
| 109 | K | 95.2 | Very high | 79.9 | Confident | 149 Ų | 149 | 70.1 Ų | 70.1 | 65% | 0.648 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.4 | 173.8 | -68.5 | -173.9 | 173.5 | -175.3 | 0 | 110 | F75 K76 T111 | F75-K109 CarbonylContact C-O 3.54Å; F75-K109 VanDerWaalsContact CA-O 3.26Å; F75-K109 WeakPolarHBondContact CA-O 3.24Å; K76-K109 PolarHBondContact N-O 2.8Å; K76-K109 PolarHBondContact O-N 2.85Å; K109-T111 PolarHBondContact O-N 3.45Å |
| 110 | K | 93.3 | Very high | 77.7 | Confident | 104 Ų | 104 | 75 Ų | 75 | 45% | 0.452 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 124.2 | 174.4 | 179.8 | 171 | -179.7 | -178.9 | 0 | 109.7 | T73 F75 | T73-K110 HydrophobicContact CG2-CD 3.85Å; T73-K110 HydrophobicContact CG2-CG 3.81Å; F75-K110 HydrophobicContact CD1-CB 4.15Å; F75-K110 HydrophobicContact CE1-CB 3.98Å |
| 111 | T | 88.9 | Confident | 75.5 | Confident | 53 Ų | 53 | 77.5 Ų | 77.5 | 33% | 0.325 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 132.5 | 171.3 | -58.8 | 0 | 0 | 0 | 0 | 108.4 | V74 K76 K109 A113 | V74-T111 PolarHBondContact O-N 3.15Å; K76-T111 WeakPolarHBondContact CG-OG1 3.36Å; K109-T111 PolarHBondContact O-N 3.45Å; T111-A113 PolarHBondContact O-N 3.49Å |
| 112 | R | 80.6 | Confident | 73.5 | Confident | 151 Ų | 151 | 83.6 Ų | 83.6 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 130 | 173 | -167.4 | 171.3 | -160.2 | -147.6 | -5.8 | 107.7 | E114 S116 S117 | R112-E114 PolarHBondContact O-N 2.91Å; R112-S116 VanDerWaalsContact CG-CB 3.48Å; R112-S116 WeakPolarHBondContact CG-OG 3.49Å; R112-S116 PolarHBondContact NH2-O 2.79Å; R112-S117 PolarHBondContact NH1-OG 3.36Å |
| 113 | A | 66.4 | Low | 71.6 | Confident | 63 Ų | 63 | 90.2 Ų | 90.2 | 52% | 0.521 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -54 | 127.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.4 | T111 G115 S116 | T111-A113 PolarHBondContact O-N 3.49Å; A113-G115 PolarHBondContact O-N 2.89Å; A113-S116 PolarHBondContact O-N 2.85Å; A113-S116 VanDerWaalsContact O-N 3.15Å; A113-S116 PolarHBondContact O-OG 2.89Å |
| 114 | E | 53.4 | Low | 69.8 | Low | 199 Ų | 199 | 97.3 Ų | 97.3 | 93% | 0.93 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 128.6 | 172.2 | -62 | -167.3 | 162.3 | 0 | 0 | 107.8 | R112 | R112-E114 PolarHBondContact O-N 2.91Š|
| 115 | G | 50.8 | Low | 67.7 | Low | 57 Ų | 57 | 104.9 Ų | 104.9 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.5 | -5.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | A113 S117 | A113-G115 PolarHBondContact O-N 2.89Å; G115-S117 PolarHBondContact O-N 2.85Å |
| 116 | S | 47.9 | Very low | 65.1 | Low | 50 Ų | 50 | 112.6 Ų | 112.6 | 35% | 0.35 | 56% | 0.564 | S | S | . | * | trans | -70.7 | -18.6 | 174.3 | -57.7 | 0 | 0 | 0 | 0 | 114.3 | R112 A113 K118 | R112-S116 VanDerWaalsContact CG-CB 3.48Å; R112-S116 WeakPolarHBondContact CG-OG 3.49Å; R112-S116 PolarHBondContact NH2-O 2.79Å; A113-S116 PolarHBondContact O-N 2.85Å; A113-S116 VanDerWaalsContact O-N 3.15Å; A113-S116 PolarHBondContact O-OG 2.89Å; S116-K118 PolarHBondContact O-N 2.82Å | ||
| 117 | S | 44.1 | Very low | 62.8 | Low | 49 Ų | 49 | 117.5 Ų | 117.5 | 34% | 0.343 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -79.1 | 114.7 | 175.4 | -67.6 | 0 | 0 | 0 | 0 | 107.9 | R112 G115 I119 Q120 | R112-S117 PolarHBondContact NH1-OG 3.36Å; G115-S117 PolarHBondContact O-N 2.85Å; S117-I119 PolarHBondContact O-N 2.77Å; S117-Q120 PolarHBondContact O-N 3.38Å |
| 118 | K | 50 | Low | 60.3 | Low | 148 Ų | 148 | 118 Ų | 118 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -4.4 | 169.8 | -61.7 | -168.3 | -177.8 | -168 | 0 | 114.1 | S116 E180 | S116-K118 PolarHBondContact O-N 2.82Å; K118-E180 IonicContact NZ-OE1 2.63Å; K118-E180 PolarHBondContact NZ-OE1 2.8Å; K118-E180 IonicContact NZ-OE2 2.79Å; K118-E180 PolarHBondContact NZ-OE2 2.71Å |
| 119 | I | 54.4 | Low | 57.9 | Low | 137 Ų | 137 | 129 Ų | 129 | 70% | 0.703 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -26.7 | -179.5 | -60.1 | 166.4 | 0 | 0 | 0 | 112.5 | S117 | S117-I119 PolarHBondContact O-N 2.77Š|
| 120 | Q | 49.4 | Very low | 55.5 | Low | 129 Ų | 129 | 126.2 Ų | 126.2 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -93.8 | -20.9 | -178.2 | -81.9 | 178.2 | -14.7 | 0 | 0 | 114.7 | S117 R122 M123 | S117-Q120 PolarHBondContact O-N 3.38Å; Q120-R122 PolarHBondContact O-N 2.8Å; Q120-R122 VanDerWaalsContact O-N 3.09Å; Q120-M123 PolarHBondContact O-N 2.95Å |
| 121 | A | 49.3 | Very low | 53.1 | Low | 69 Ų | 69 | 127.4 Ų | 127.4 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -15.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 122 | R | 52.9 | Low | 51 | Low | 187 Ų | 187 | 133.6 Ų | 133.6 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -11.5 | 178.8 | -141.6 | -174.4 | -171.3 | -158.8 | 5.2 | 114.4 | Q120 | Q120-R122 PolarHBondContact O-N 2.8Å; Q120-R122 VanDerWaalsContact O-N 3.09Å |
| 123 | M | 54.8 | Low | 49.3 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 79% | 0.793 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -23.9 | 178.8 | -75.7 | -176.2 | 171.4 | 0 | 0 | 112.9 | Q120 | Q120-M123 PolarHBondContact O-N 2.95Š|
| 124 | E | 56.1 | Low | 48.3 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -100.1 | -7.9 | -178.3 | -133.6 | 165.5 | 144.8 | 0 | 0 | 113.8 | ||
| 125 | Q | 50.1 | Low | 48.3 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | -102.7 | 61.7 | 168.4 | -64.9 | -174.5 | 8.5 | 0 | 0 | 110.3 | P127 | Q125-P127 WeakPolarHBondContact O-CD 3.33Š| ||
| 126 | Q | 41.3 | Very low | 48.6 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -97.8 | 98.1 | 155.6 | -156.6 | 173.8 | 32.7 | 0 | 0 | 106.7 | T128 | Q126-T128 PolarHBondContact O-N 3.47Å; Q126-T128 VanDerWaalsContact O-N 3.13Å | ||
| 127 | P | 47.3 | Very low | 49.7 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | trans | -64.8 | 120 | 171.9 | -8 | 23.8 | 0 | 0 | 0 | 106.6 | Q125 R129 | Q125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-R129 PolarHBondContact O-N 3.21Å | ||
| 128 | T | 43.9 | Very low | 50.9 | Low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -45.3 | 103.7 | 164.5 | 41.4 | 0 | 0 | 0 | 0 | 109.1 | Q126 | Q126-T128 PolarHBondContact O-N 3.47Å; Q126-T128 VanDerWaalsContact O-N 3.13Å | ||
| 129 | R | 45.4 | Very low | 51.7 | Low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | trans | -66.8 | 128 | 176.6 | -159.2 | -177.6 | -136.8 | -151.3 | 4.3 | 108.1 | P127 | P127-R129 PolarHBondContact O-N 3.21Š| ||
| 130 | P | 46.2 | Very low | 52.5 | Low | 90 Ų | 90 | 141.5 Ų | 141.5 | 58% | 0.584 | 77% | 0.768 | S | S | * | * | trans | -67.6 | 151.5 | 175.7 | 28.3 | -32.4 | 0 | 0 | 0 | 110.1 | Q132 | P130-Q132 PolarHBondContact O-N 3.23Š| ||
| 131 | P | 42 | Very low | 53.6 | Low | 129 Ų | 129 | 140.9 Ų | 140.9 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -73.6 | 104.5 | -176.6 | 30.5 | -30.9 | 0 | 0 | 0 | 108.7 | T133 | P131-T133 PolarHBondContact O-N 3.18Š| ||
| 132 | Q | 46 | Very low | 54.3 | Low | 183 Ų | 183 | 143.5 Ų | 143.5 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -88.2 | 109.8 | 168 | -72.6 | -171 | -2.3 | 0 | 0 | 109.2 | P130 | P130-Q132 PolarHBondContact O-N 3.23Š| ||
| 133 | T | 43.2 | Very low | 54.6 | Low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | -48.9 | 156.4 | 163.6 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | P131 | P131-T133 PolarHBondContact O-N 3.18Š| ||
| 134 | S | 46.7 | Very low | 55.4 | Low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 93.6 | 71.8 | 160.2 | -40.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 135 | Q | 53.2 | Low | 55.6 | Low | 189 Ų | 189 | 143.1 Ų | 143.1 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -140.9 | 135.7 | 149.4 | -112.6 | -177.5 | -13.7 | 0 | 0 | 110.8 | ||||
| 136 | P | 56.7 | Low | 55.4 | Low | 114 Ų | 114 | 146.5 Ų | 146.5 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 156.1 | -174.7 | 32.8 | -33.1 | 0 | 0 | 0 | 111.5 | ||
| 137 | P | 71.2 | Confident | 55.9 | Low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 149.4 | -174.3 | 29.6 | -34 | 0 | 0 | 0 | 112.4 | ||
| 138 | P | 68.1 | Low | 56.2 | Low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 154.7 | 174.7 | 30.4 | -33.2 | 0 | 0 | 0 | 111.9 | ||
| 139 | P | 67.2 | Low | 56.8 | Low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 154 | -174.5 | 30.4 | -34.4 | 0 | 0 | 0 | 112.9 | ||
| 140 | P | 71.2 | Confident | 57.4 | Low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 150.3 | -177.8 | 30.6 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 141 | P | 73.1 | Confident | 57.9 | Low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73 | 151.7 | 177.1 | 29.5 | -33.7 | 0 | 0 | 0 | 112.6 | ||
| 142 | P | 63.4 | Low | 58.5 | Low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137.1 | -176.6 | 30.9 | -32.5 | 0 | 0 | 0 | 112.1 | ||
| 143 | M | 60.4 | Low | 58.8 | Low | 183 Ų | 183 | 139.9 Ų | 139.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 135.1 | 175.3 | -61.6 | -179.6 | -81.5 | 0 | 0 | 111.4 | ||
| 144 | P | 70.2 | Confident | 59.3 | Low | 126 Ų | 126 | 137.2 Ų | 137.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 148.2 | 153.8 | 18.1 | -1.5 | 0 | 0 | 0 | 112.2 | ||
| 145 | F | 60 | Low | 59.5 | Low | 216 Ų | 216 | 137.4 Ų | 137.4 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 152.1 | -169.6 | -100.2 | -114.3 | 0 | 0 | 0 | 115.9 | ||
| 146 | R | 47 | Very low | 59.1 | Low | 230 Ų | 230 | 137.7 Ų | 137.7 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 141.8 | -177.4 | -175.7 | -175.4 | -172.2 | -174.7 | 3.1 | 112.5 | ||
| 147 | A | 51.9 | Low | 59 | Low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -150.6 | 148.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 148 | P | 53.1 | Low | 58.3 | Low | 97 Ų | 97 | 138.4 Ų | 138.4 | 63% | 0.63 | 81% | 0.807 | S | S | * | * | trans | -129 | 137.8 | -143.2 | 34.5 | -16.2 | 0 | 0 | 0 | 115.9 | ||||
| 149 | T | 56.2 | Low | 57.1 | Low | 146 Ų | 146 | 138.8 Ų | 138.8 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | trans | -163.7 | 102.4 | 151.7 | 31.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 150 | K | 58.7 | Low | 56.6 | Low | 210 Ų | 210 | 140.7 Ų | 140.7 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | 35.9 | 155 | 139.1 | -78 | -173.3 | 177.3 | 178.7 | 0 | 125.1 | ||||
| 151 | P | 57.3 | Low | 55.7 | Low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -125.6 | -145.1 | -142.8 | 46 | -27.8 | 0 | 0 | 0 | 112.3 | ||||
| 152 | P | 53.9 | Low | 54.3 | Low | 108 Ų | 108 | 145.4 Ų | 145.4 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | cis | -129.5 | 161.3 | -35.6 | 34.9 | -19 | 0 | 0 | 0 | 113.5 | ||||
| 153 | V | 52.8 | Low | 53.8 | Low | 150 Ų | 150 | 146.8 Ų | 146.8 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -167.9 | 121.5 | 140.2 | 179.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 154 | G | 53.9 | Low | 53.4 | Low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 88.1 | 143.6 | 134.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 155 | P | 49.5 | Very low | 52.4 | Low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -112.7 | 139.5 | -154.7 | 33.5 | -16.4 | 0 | 0 | 0 | 116.8 | ||||
| 156 | K | 44.7 | Very low | 52.4 | Low | 195 Ų | 195 | 138.2 Ų | 138.2 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | 40.2 | 111.5 | 133.2 | -58.2 | -178.2 | 175.8 | -179.8 | 0 | 120.2 | ||||
| 157 | T | 55.1 | Low | 53.1 | Low | 146 Ų | 146 | 136 Ų | 136 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | -137.4 | 140.7 | 128.9 | 61.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 158 | S | 56.6 | Low | 53.8 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -104.1 | 150.1 | -167.3 | -45.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 159 | P | 43.7 | Very low | 54.7 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -111.7 | 121.7 | 151.2 | 31.8 | -18.9 | 0 | 0 | 0 | 109.8 | ||||
| 160 | L | 55.9 | Low | 55.7 | Low | 159 Ų | 159 | 137.5 Ų | 137.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -130 | 146.1 | 167.9 | -64.3 | 172.6 | 0 | 0 | 0 | 107.8 | ||||
| 161 | K | 51.6 | Low | 56.9 | Low | 177 Ų | 177 | 132.6 Ų | 132.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | cis | -179.3 | 124.5 | -23.7 | 174.7 | 163.6 | 174.6 | 179.2 | 0 | 101.7 | N163 | K161-N163 PolarHBondContact O-N 3.31Š| ||
| 162 | D | 44.4 | Very low | 58.1 | Low | 158 Ų | 158 | 129.8 Ų | 129.8 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -47.2 | 133.7 | 176.1 | -76 | -78.1 | 0 | 0 | 0 | 112.3 | ||||
| 163 | N | 52.7 | Low | 59.3 | Low | 153 Ų | 153 | 128.4 Ų | 128.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -117.2 | 119.3 | 161.9 | -84.5 | -38.7 | 0 | 0 | 0 | 107.6 | K161 | K161-N163 PolarHBondContact O-N 3.31Š| ||
| 164 | P | 51.9 | Low | 60.8 | Low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 130.5 | 171.8 | 30.8 | -29.6 | 0 | 0 | 0 | 108.8 | ||
| 165 | S | 49.6 | Very low | 62.4 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140.6 | 173.2 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | E167 | S165-E167 PolarHBondContact O-N 3.31Š|
| 166 | P | 59.5 | Low | 64 | Low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 121.5 | 177 | 28.7 | -31.4 | 0 | 0 | 0 | 109.5 | ||
| 167 | E | 61.7 | Low | 66 | Low | 182 Ų | 182 | 126.3 Ų | 126.3 | 85% | 0.85 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 133 | 168.5 | -102 | 174.8 | 125.8 | 0 | 0 | 109.5 | S165 Q169 | S165-E167 PolarHBondContact O-N 3.31Å; E167-Q169 PolarHBondContact O-N 2.94Å |
| 168 | P | 66.1 | Low | 67.5 | Low | 95 Ų | 95 | 127.2 Ų | 127.2 | 62% | 0.617 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 121.2 | 174.6 | 27 | -31.1 | 0 | 0 | 0 | 109 | L170 I173 | P168-L170 PolarHBondContact O-N 2.48Å; P168-I173 HydrophobicContact CB-CD1 4.32Å; P168-I173 HydrophobicContact CG-CD1 4.46Å |
| 169 | Q | 72.2 | Confident | 68.9 | Low | 134 Ų | 134 | 124.9 Ų | 124.9 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 123.8 | 174.3 | -69.9 | -169.8 | -84 | 0 | 0 | 108.8 | E167 D171 D172 | E167-Q169 PolarHBondContact O-N 2.94Å; Q169-D171 PolarHBondContact O-N 2.75Å; Q169-D172 PolarHBondContact O-N 2.77Å |
| 170 | L | 78.9 | Confident | 70.7 | Confident | 142 Ų | 142 | 122.4 Ų | 122.4 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -50.8 | -26.3 | 178.8 | -71.9 | 166.7 | 0 | 0 | 0 | 113 | P168 I173 K174 | P168-L170 PolarHBondContact O-N 2.48Å; L170-I173 PolarHBondContact O-N 2.89Å; L170-K174 WeakPolarHBondContact O-CB 3.22Å; L170-K174 PolarHBondContact O-N 2.97Å |
| 171 | D | 82.7 | Confident | 72.1 | Confident | 107 Ų | 107 | 119 Ų | 119 | 57% | 0.572 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.1 | -36.1 | 175.9 | -61.8 | -57.5 | 0 | 0 | 0 | 113.5 | Q169 K174 R175 | Q169-D171 PolarHBondContact O-N 2.75Å; D171-K174 PolarHBondContact O-N 3.44Å; D171-R175 WeakPolarHBondContact O-CB 3.46Å; D171-R175 PolarHBondContact O-N 3.45Å |
| 172 | D | 82.2 | Confident | 73.6 | Confident | 55 Ų | 55 | 115 Ų | 115 | 29% | 0.294 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.8 | -42.9 | 177.2 | -76.6 | -28.5 | 0 | 0 | 0 | 110.8 | Q169 K174 R175 E176 | Q169-D172 PolarHBondContact O-N 2.77Å; D172-K174 VanDerWaalsContact C-N 3.32Å; D172-K174 PolarHBondContact O-N 2.97Å; D172-R175 PolarHBondContact O-N 2.72Å; D172-R175 IonicContact OD1-CZ 3.16Å; D172-R175 IonicContact OD1-NH1 2.64Å; D172-R175 PolarHBondContact OD1-NH1 3.23Å; D172-R175 IonicContact OD1-NH2 2.73Å; D172-R175 PolarHBondContact OD1-NH2 3.16Å; D172-E176 WeakPolarHBondContact O-CB 3.3Å; D172-E176 PolarHBondContact O-N 2.75Å |
| 173 | I | 80.3 | Confident | 75.4 | Confident | 79 Ų | 79 | 112 Ų | 112 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.4 | -43.1 | 176.2 | -60.5 | 171.8 | 0 | 0 | 0 | 109.9 | P168 L170 E176 L177 | P168-I173 HydrophobicContact CB-CD1 4.32Å; P168-I173 HydrophobicContact CG-CD1 4.46Å; L170-I173 PolarHBondContact O-N 2.89Å; I173-E176 PolarHBondContact O-N 3.08Å; I173-L177 HydrophobicContact CG2-CD1 4Å; I173-L177 HydrophobicContact CG2-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CB 3.15Å; I173-L177 WeakPolarHBondContact O-CG 3.46Å; I173-L177 PolarHBondContact O-N 3.31Å |
| 174 | K | 83.6 | Confident | 76.6 | Confident | 120 Ų | 120 | 109.6 Ų | 109.6 | 52% | 0.522 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.7 | -38.7 | 177.8 | -173 | 177.1 | -179.7 | 179.9 | 0 | 112.3 | L170 D171 D172 R178 | L170-K174 WeakPolarHBondContact O-CB 3.22Å; L170-K174 PolarHBondContact O-N 2.97Å; D171-K174 PolarHBondContact O-N 3.44Å; D172-K174 VanDerWaalsContact C-N 3.32Å; D172-K174 PolarHBondContact O-N 2.97Å; K174-R178 WeakPolarHBondContact O-CG 3.29Å; K174-R178 PolarHBondContact O-N 2.65Å; K174-R178 VanDerWaalsContact O-N 3.16Å |
| 175 | R | 88 | Confident | 77.9 | Confident | 158 Ų | 158 | 110 Ų | 110 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.1 | -42.5 | 176.1 | -172.9 | 175.8 | 68.1 | -115.2 | -4.9 | 111.2 | D171 D172 R178 A179 | D171-R175 WeakPolarHBondContact O-CB 3.46Å; D171-R175 PolarHBondContact O-N 3.45Å; D172-R175 PolarHBondContact O-N 2.72Å; D172-R175 IonicContact OD1-CZ 3.16Å; D172-R175 IonicContact OD1-NH1 2.64Å; D172-R175 PolarHBondContact OD1-NH1 3.23Å; D172-R175 IonicContact OD1-NH2 2.73Å; D172-R175 PolarHBondContact OD1-NH2 3.16Å; R175-R178 PolarHBondContact O-N 3.11Å; R175-A179 PolarHBondContact O-N 3.45Å; R175-A179 VanDerWaalsContact O-N 3.17Å |
| 176 | E | 83.5 | Confident | 79 | Confident | 114 Ų | 114 | 111.6 Ų | 111.6 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.6 | -42.2 | 178.6 | -170.9 | 141.6 | -146.5 | 0 | 0 | 112 | D172 I173 R178 A179 E180 | D172-E176 WeakPolarHBondContact O-CB 3.3Å; D172-E176 PolarHBondContact O-N 2.75Å; I173-E176 PolarHBondContact O-N 3.08Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 2.81Å; E176-A179 PolarHBondContact O-N 2.9Å; E176-A179 VanDerWaalsContact O-N 3.15Å; E176-E180 PolarHBondContact O-N 2.85Å |
| 177 | L | 86.4 | Confident | 79.3 | Confident | 100 Ų | 100 | 112.5 Ų | 112.5 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.6 | -37.7 | 174.1 | -76.4 | 169.2 | 0 | 0 | 0 | 112.8 | I173 E180 V181 | I173-L177 HydrophobicContact CG2-CD1 4Å; I173-L177 HydrophobicContact CG2-CG 4.48Å; I173-L177 WeakPolarHBondContact O-CB 3.15Å; I173-L177 WeakPolarHBondContact O-CG 3.46Å; I173-L177 PolarHBondContact O-N 3.31Å; L177-E180 PolarHBondContact O-N 2.8Å; L177-V181 WeakPolarHBondContact O-CG2 3.11Å; L177-V181 PolarHBondContact O-N 2.89Å |
| 178 | R | 86.9 | Confident | 79.5 | Confident | 166 Ų | 166 | 108.4 Ų | 108.4 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 174.7 | -77.2 | -179.4 | 176.2 | -177.2 | -4 | 112.1 | K174 R175 E176 V181 D182 | K174-R178 WeakPolarHBondContact O-CG 3.29Å; K174-R178 PolarHBondContact O-N 2.65Å; K174-R178 VanDerWaalsContact O-N 3.16Å; R175-R178 PolarHBondContact O-N 3.11Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 2.81Å; R178-V181 PolarHBondContact O-N 2.78Å; R178-D182 PolarHBondContact O-N 3.16Å; R178-D182 VanDerWaalsContact O-N 3.13Å |
| 179 | A | 85.4 | Confident | 78.9 | Confident | 52 Ų | 52 | 108.5 Ų | 108.5 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R175 E176 D182 I183 | R175-A179 PolarHBondContact O-N 3.45Å; R175-A179 VanDerWaalsContact O-N 3.17Å; E176-A179 PolarHBondContact O-N 2.9Å; E176-A179 VanDerWaalsContact O-N 3.15Å; A179-D182 PolarHBondContact O-N 3.15Å; A179-I183 VanDerWaalsContact O-CG1 3.31Å; A179-I183 WeakPolarHBondContact O-CG1 3.14Å; A179-I183 PolarHBondContact O-N 2.86Å |
| 180 | E | 82 | Confident | 77.8 | Confident | 73 Ų | 73 | 106.7 Ų | 106.7 | 34% | 0.341 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.7 | -35.5 | 176 | -70.5 | -157.6 | 132.4 | 0 | 0 | 112.9 | K118 E176 L177 I183 I184 | K118-E180 IonicContact NZ-OE1 2.63Å; K118-E180 PolarHBondContact NZ-OE1 2.8Å; K118-E180 IonicContact NZ-OE2 2.79Å; K118-E180 PolarHBondContact NZ-OE2 2.71Å; E176-E180 PolarHBondContact O-N 2.85Å; L177-E180 PolarHBondContact O-N 2.8Å; E180-I183 PolarHBondContact O-N 2.89Å; E180-I184 WeakPolarHBondContact O-CG1 3.22Å; E180-I184 PolarHBondContact O-N 3.29Å |
| 181 | V | 85 | Confident | 76.4 | Confident | 89 Ų | 89 | 105.6 Ų | 105.6 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -45.4 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L177 R178 I183 I184 E185 | L177-V181 WeakPolarHBondContact O-CG2 3.11Å; L177-V181 PolarHBondContact O-N 2.89Å; R178-V181 PolarHBondContact O-N 2.78Å; V181-I183 VanDerWaalsContact C-N 3.28Å; V181-I183 PolarHBondContact O-N 2.79Å; V181-I184 PolarHBondContact O-N 2.95Å; V181-I184 VanDerWaalsContact O-N 3.16Å; V181-E185 PolarHBondContact O-N 3.28Å |
| 182 | D | 82.7 | Confident | 74.7 | Confident | 92 Ų | 92 | 103.9 Ų | 103.9 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.1 | -38.1 | 176.9 | -81.5 | 11.9 | 0 | 0 | 0 | 112 | R178 A179 E185 Q186 | R178-D182 PolarHBondContact O-N 3.16Å; R178-D182 VanDerWaalsContact O-N 3.13Å; A179-D182 PolarHBondContact O-N 3.15Å; D182-E185 PolarHBondContact O-N 3.43Å; D182-Q186 WeakPolarHBondContact O-CG 3.31Å; D182-Q186 PolarHBondContact O-N 3.47Å |
| 183 | I | 82.5 | Confident | 72.9 | Confident | 96 Ų | 96 | 107 Ų | 107 | 49% | 0.492 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.3 | -42.7 | 177.3 | -67.3 | 165.2 | 0 | 0 | 0 | 111 | A179 E180 V181 E185 Q186 M187 | A179-I183 VanDerWaalsContact O-CG1 3.31Å; A179-I183 WeakPolarHBondContact O-CG1 3.14Å; A179-I183 PolarHBondContact O-N 2.86Å; E180-I183 PolarHBondContact O-N 2.89Å; V181-I183 VanDerWaalsContact C-N 3.28Å; V181-I183 PolarHBondContact O-N 2.79Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-Q186 PolarHBondContact O-N 2.84Å; I183-M187 HydrophobicContact CG2-CE 4.28Å; I183-M187 WeakPolarHBondContact O-CG 3.49Å; I183-M187 PolarHBondContact O-N 3.01Å; I183-M187 VanDerWaalsContact O-N 3.11Å |
| 184 | I | 78.3 | Confident | 71.3 | Confident | 102 Ų | 102 | 108.3 Ų | 108.3 | 52% | 0.523 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.1 | -37.6 | 179.1 | -65 | 165.9 | 0 | 0 | 0 | 110.9 | E180 V181 M187 S188 | E180-I184 WeakPolarHBondContact O-CG1 3.22Å; E180-I184 PolarHBondContact O-N 3.29Å; V181-I184 PolarHBondContact O-N 2.95Å; V181-I184 VanDerWaalsContact O-N 3.16Å; I184-M187 HydrophobicContact CG1-CE 4.28Å; I184-M187 PolarHBondContact O-N 3.24Å; I184-S188 PolarHBondContact O-N 2.93Å; I184-S188 PolarHBondContact O-OG 2.85Å |
| 185 | E | 78 | Confident | 69.8 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 61% | 0.607 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.5 | -37 | 177.1 | -166.3 | 170.7 | -170.9 | 0 | 0 | 112.1 | V181 D182 I183 M187 S188 S189 | V181-E185 PolarHBondContact O-N 3.28Å; D182-E185 PolarHBondContact O-N 3.43Å; I183-E185 VanDerWaalsContact C-N 3.34Å; E185-M187 VanDerWaalsContact C-N 3.32Å; E185-M187 PolarHBondContact O-N 3.13Å; E185-S188 PolarHBondContact O-N 3.43Å; E185-S188 VanDerWaalsContact O-N 3.1Å; E185-S189 PolarHBondContact O-OG 2.91Å |
| 186 | Q | 73.6 | Confident | 68.1 | Low | 142 Ų | 142 | 105 Ų | 105 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65 | -34.2 | 172.4 | -74.6 | -178.5 | 29.5 | 0 | 0 | 112.8 | D182 I183 S188 S189 | D182-Q186 WeakPolarHBondContact O-CG 3.31Å; D182-Q186 PolarHBondContact O-N 3.47Å; I183-Q186 PolarHBondContact O-N 2.84Å; Q186-S188 PolarHBondContact O-N 3.39Å; Q186-S189 PolarHBondContact O-OG 3.22Å |
| 187 | M | 66 | Low | 66.6 | Low | 134 Ų | 134 | 106.2 Ų | 106.2 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.4 | -15.4 | 174 | -67.8 | -170.1 | -62 | 0 | 0 | 113.2 | I183 I184 E185 | I183-M187 HydrophobicContact CG2-CE 4.28Å; I183-M187 WeakPolarHBondContact O-CG 3.49Å; I183-M187 PolarHBondContact O-N 3.01Å; I183-M187 VanDerWaalsContact O-N 3.11Å; I184-M187 HydrophobicContact CG1-CE 4.28Å; I184-M187 PolarHBondContact O-N 3.24Å; E185-M187 VanDerWaalsContact C-N 3.32Å; E185-M187 PolarHBondContact O-N 3.13Å |
| 188 | S | 65 | Low | 65.1 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -3.3 | -175.2 | -55.9 | 0 | 0 | 0 | 0 | 114.2 | I184 E185 Q186 | I184-S188 PolarHBondContact O-N 2.93Å; I184-S188 PolarHBondContact O-OG 2.85Å; E185-S188 PolarHBondContact O-N 3.43Å; E185-S188 VanDerWaalsContact O-N 3.1Å; Q186-S188 PolarHBondContact O-N 3.39Å |
| 189 | S | 52.6 | Low | 63.6 | Low | 96 Ų | 96 | 106.1 Ų | 106.1 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -112.5 | 17.3 | -171.6 | 47.7 | 0 | 0 | 0 | 0 | 115.4 | E185 Q186 | E185-S189 PolarHBondContact O-OG 2.91Å; Q186-S189 PolarHBondContact O-OG 3.22Å |
| 190 | S | 50.3 | Low | 62.1 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -126 | 63.6 | -178 | 50.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 191 | S | 49.6 | Very low | 60.7 | Low | 119 Ų | 119 | 110 Ų | 110 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -177.4 | 101.5 | 144.8 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 192 | G | 46.1 | Very low | 59.4 | Low | 71 Ų | 71 | 111.6 Ų | 111.6 | 73% | 0.732 | 69% | 0.694 | S | S | * | * | trans | -87.7 | 142.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 193 | S | 44.2 | Very low | 57.7 | Low | 120 Ų | 120 | 110.2 Ų | 110.2 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | 162.9 | 123.6 | 128.4 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 194 | S | 48.5 | Very low | 56.6 | Low | 107 Ų | 107 | 110.7 Ų | 110.7 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | 70.1 | 111.5 | 143.8 | 59.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 195 | S | 51.1 | Low | 55.6 | Low | 105 Ų | 105 | 112.4 Ų | 112.4 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | 89.2 | 122.7 | 117.7 | 67.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 196 | S | 52.8 | Low | 54.8 | Low | 102 Ų | 102 | 112.6 Ų | 112.6 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | 71.9 | 146 | 138.1 | -66.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 197 | D | 51.6 | Low | 54 | Low | 140 Ų | 140 | 111.9 Ų | 111.9 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | cis | -171.6 | 154.6 | -12.7 | -100.4 | -49.1 | 0 | 0 | 0 | 105.5 | ||||
| 198 | S | 55.7 | Low | 53.5 | Low | 98 Ų | 98 | 110.1 Ų | 110.1 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | 89.8 | 108.7 | 148 | -57 | 0 | 0 | 0 | 0 | 124 | ||||
| 199 | E | 54.1 | Low | 52.9 | Low | 166 Ų | 166 | 110.4 Ų | 110.4 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | 68 | 135.5 | 115.1 | -51.7 | -44.5 | 109.7 | 0 | 0 | 124.9 | |||||
| 200 | S | 53.5 | Low | 53 | Low | 108 Ų | 108 | 111.2 Ų | 111.2 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | 85.2 | 141.1 | 146.4 | -49.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 201 | S | 54 | Low | 53.2 | Low | 98 Ų | 98 | 111.7 Ų | 111.7 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | cis | 173.2 | 154.9 | -29.3 | 42.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 202 | S | 56.7 | Low | 53.3 | Low | 123 Ų | 123 | 110.1 Ų | 110.1 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | 82.9 | 135.7 | 155.9 | -44.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 203 | G | 48.4 | Very low | 53.6 | Low | 64 Ų | 64 | 109.7 Ų | 109.7 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | cis | 173.7 | 151.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 204 | S | 57.7 | Low | 54.3 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 40.1 | 151.7 | 137.7 | 59.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 205 | D | 57.8 | Low | 54.7 | Low | 137 Ų | 137 | 114.7 Ų | 114.7 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | cis | -180 | 165 | -14.8 | -90.2 | -39.7 | 0 | 0 | 0 | 105.5 | ||||
| 206 | D | 60.8 | Low | 54.5 | Low | 134 Ų | 134 | 116.2 Ų | 116.2 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | 83.2 | 113.6 | 140.3 | -70.1 | -20 | 0 | 0 | 0 | 124.3 | ||||
| 207 | D | 57.3 | Low | 54 | Low | 128 Ų | 128 | 114.6 Ų | 114.6 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | 103.5 | 120.8 | 108.9 | -92.4 | -49.3 | 0 | 0 | 0 | 124.1 | |||||
| 208 | S | 55.1 | Low | 54.3 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | 63.1 | 155.4 | 127.1 | -73.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 209 | S | 54.2 | Low | 53.8 | Low | 102 Ų | 102 | 114.5 Ų | 114.5 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | cis | 176.1 | 153.8 | -21.1 | -88.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 210 | S | 53.1 | Low | 53.4 | Low | 113 Ų | 113 | 112 Ų | 112 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 72.6 | 152.4 | 146.6 | -150.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 211 | S | 54 | Low | 53.5 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | cis | -175.8 | 159.9 | 6.4 | 16 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 212 | G | 51.9 | Low | 53.3 | Low | 85 Ų | 85 | 113.5 Ų | 113.5 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | trans | 90 | 136.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 213 | G | 52.8 | Low | 52.7 | Low | 62 Ų | 62 | 115.9 Ų | 115.9 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | cis | 158.3 | 156.6 | 5.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 214 | E | 59.2 | Low | 52.8 | Low | 203 Ų | 203 | 118.4 Ų | 118.4 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | trans | 67.8 | 145.7 | 152.8 | 9.7 | -169.3 | 118.4 | 0 | 0 | 117.6 | ||||
| 215 | D | 56.5 | Low | 52.2 | Low | 130 Ų | 130 | 118.1 Ų | 118.1 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | cis | -171 | 154.6 | 6.3 | -179.6 | 35.6 | 0 | 0 | 0 | 109.9 | ||||
| 216 | N | 47.4 | Very low | 51.9 | Low | 137 Ų | 137 | 119.5 Ų | 119.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 54.5 | 113.8 | 152 | -84.2 | -31.8 | 0 | 0 | 0 | 125.4 | ||||
| 217 | G | 43.1 | Very low | 51 | Low | 67 Ų | 67 | 122.2 Ų | 122.2 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | 96.3 | 152.9 | 95.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 218 | P | 58 | Low | 50.5 | Low | 133 Ų | 133 | 124.1 Ų | 124.1 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -125.7 | 166.8 | -133.4 | 38.6 | -23.6 | 0 | 0 | 0 | 116 | ||||
| 219 | A | 44.5 | Very low | 50.3 | Low | 103 Ų | 103 | 123.8 Ų | 123.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | 168.8 | 128.5 | 139.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 220 | S | 45.6 | Very low | 49.7 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -85.4 | -164.5 | 166.9 | -25.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 221 | P | 56.2 | Low | 49.5 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | cis | -134.3 | -141.7 | -40 | 36 | -13.9 | 0 | 0 | 0 | 109.7 | ||||
| 222 | P | 48.5 | Very low | 49 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -120.1 | 165 | -50.8 | 30.1 | -10.6 | 0 | 0 | 0 | 114.7 | |||||
| 223 | Q | 45.5 | Very low | 49 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -79.1 | 167.3 | 161 | -90.2 | -170.4 | -38.2 | 0 | 0 | 112 | ||||
| 224 | P | 50.4 | Low | 48.6 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | -150.9 | 146.8 | 110.5 | 38.4 | -20.7 | 0 | 0 | 0 | 118.4 | |||||
| 225 | S | 43.7 | Very low | 48 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 64.8 | 106.5 | 132.9 | 65.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 226 | H | 51.2 | Low | 47.3 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -27.6 | 152 | 146.2 | -53.5 | -76.2 | 0 | 0 | 0 | 119.5 | ||||
| 227 | Q | 43.6 | Very low | 47.3 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -160.9 | 104.5 | 133.6 | -100.4 | 168 | 46.2 | 0 | 0 | 107.6 | ||||
| 228 | Q | 46.9 | Very low | 47 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | 87.4 | 150.4 | 88.4 | -75.7 | -73.5 | -44.1 | 0 | 0 | 114.5 | |||||
| 229 | P | 50.9 | Low | 45.9 | Very low | 90 Ų | 90 | 137 Ų | 137 | 58% | 0.584 | 80% | 0.798 | S | S | * | * | trans | -132.9 | 161.3 | -133.5 | 41.9 | -27.4 | 0 | 0 | 0 | 114.7 | ||||
| 230 | Y | 40 | Very low | 45.8 | Very low | 212 Ų | 212 | 138 Ų | 138 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -176.3 | 123.6 | 148.7 | 37.4 | -98.8 | 0 | 0 | 0 | 112.3 | ||||
| 231 | N | 48.9 | Very low | 45.6 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | 171 | 107.3 | 128.3 | -96.5 | -21.9 | 0 | 0 | 0 | 113.7 | |||||
| 232 | S | 43.7 | Very low | 45.3 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | 32.9 | 110.5 | 121.3 | -47.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 233 | R | 52.7 | Low | 45.5 | Very low | 244 Ų | 244 | 140.6 Ų | 140.6 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | -179.6 | 147 | 117.6 | -109.8 | 174.1 | 136.5 | -179.4 | -5.7 | 112.3 | |||||
| 234 | P | 44.7 | Very low | 45.9 | Very low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -89 | 135 | 176.6 | 34.5 | -27.9 | 0 | 0 | 0 | 110.5 | ||||
| 235 | A | 46.5 | Very low | 46.3 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -125 | 114.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 236 | V | 41.1 | Very low | 47.6 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | trans | -64.8 | 120.8 | 166.5 | -99.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 237 | A | 48 | Very low | 48.8 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -164.6 | 116.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 238 | N | 37.1 | Very low | 50.6 | Low | 160 Ų | 160 | 127.3 Ų | 127.3 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | 49.4 | 104.5 | 143.3 | -71.8 | -5.6 | 0 | 0 | 0 | 120.8 | ||||
| 239 | G | 33.8 | Very low | 52.3 | Low | 77 Ų | 77 | 121.4 Ų | 121.4 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | 60.4 | 84.5 | 110.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 240 | T | 42.4 | Very low | 53.8 | Low | 125 Ų | 125 | 121.1 Ų | 121.1 | 77% | 0.767 | 69% | 0.691 | S | S | * | * | trans | -152.7 | 118.4 | 143.2 | 20.1 | 0 | 0 | 0 | 0 | 108 | R242 | T240-R242 VanDerWaalsContact C-N 3.25Å; T240-R242 PolarHBondContact O-N 3.02Å | ||
| 241 | S | 42.1 | Very low | 56 | Low | 129 Ų | 129 | 114.6 Ų | 114.6 | 90% | 0.902 | 67% | 0.67 | S | S | * | * | trans | -62.9 | 79.3 | 173.2 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 242 | R | 49.7 | Very low | 57.8 | Low | 182 Ų | 182 | 109.7 Ų | 109.7 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | trans | -85.4 | 139.4 | 167.1 | -78.4 | 179.4 | 74.6 | -173.2 | 3.6 | 108.9 | T240 Q244 | T240-R242 VanDerWaalsContact C-N 3.25Å; T240-R242 PolarHBondContact O-N 3.02Å; R242-Q244 PolarHBondContact O-N 3.06Å | ||
| 243 | P | 52 | Low | 59.8 | Low | 94 Ų | 94 | 105.3 Ų | 105.3 | 61% | 0.61 | 61% | 0.614 | S | S | * | * | trans | -66.2 | 103.8 | -175.5 | 27.8 | -32.3 | 0 | 0 | 0 | 108.4 | G245 S246 | P243-G245 PolarHBondContact O-N 3.09Å; P243-S246 PolarHBondContact O-N 3.26Å | ||
| 244 | Q | 53.9 | Low | 61.4 | Low | 160 Ų | 160 | 98.8 Ų | 98.8 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -55.4 | -21.6 | -175.1 | -169.4 | 173.7 | -25.4 | 0 | 0 | 112.7 | R242 | R242-Q244 PolarHBondContact O-N 3.06Å |
| 245 | G | 60.5 | Low | 63.3 | Low | 43 Ų | 43 | 98.7 Ų | 98.7 | 44% | 0.443 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.4 | -29 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P243 N247 Q248 L249 | P243-G245 PolarHBondContact O-N 3.09Å; G245-N247 PolarHBondContact O-N 3.11Å; G245-Q248 PolarHBondContact O-N 3.34Å; G245-L249 WeakPolarHBondContact O-CB 3.47Å; G245-L249 PolarHBondContact O-N 3Å |
| 246 | S | 70.2 | Confident | 65 | Low | 64 Ų | 64 | 96.3 Ų | 96.3 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.3 | -40.4 | -173.8 | 174.6 | 0 | 0 | 0 | 0 | 112.5 | P243 Q248 L249 M250 | P243-S246 PolarHBondContact O-N 3.26Å; S246-Q248 VanDerWaalsContact C-N 3.31Å; S246-Q248 PolarHBondContact O-N 2.9Å; S246-L249 WeakPolarHBondContact O-CB 3.47Å; S246-L249 PolarHBondContact O-N 3.28Å; S246-M250 PolarHBondContact O-N 3.4Å |
| 247 | N | 76.3 | Confident | 66.9 | Low | 78 Ų | 78 | 90.6 Ų | 90.6 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 176 | -69.5 | -48.6 | 0 | 0 | 0 | 111.7 | G245 N251 | G245-N247 PolarHBondContact O-N 3.11Å; N247-N251 WeakPolarHBondContact O-CB 3.49Å; N247-N251 PolarHBondContact O-N 3.14Å; N247-N251 PolarHBondContact O-ND2 2.63Å; N247-N251 VanDerWaalsContact O-ND2 3.08Å; N247-N251 PolarHBondContact O-OD1 3.3Å |
| 248 | Q | 81.5 | Confident | 68.1 | Low | 122 Ų | 122 | 92.8 Ų | 92.8 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 176.6 | -66.1 | -176.7 | -10.9 | 0 | 0 | 110.9 | G245 S246 N251 T252 | G245-Q248 PolarHBondContact O-N 3.34Å; S246-Q248 VanDerWaalsContact C-N 3.31Å; S246-Q248 PolarHBondContact O-N 2.9Å; Q248-N251 PolarHBondContact O-N 3.19Å; Q248-T252 PolarHBondContact O-N 2.96Å; Q248-T252 PolarHBondContact O-OG1 2.88Å; Q248-T252 VanDerWaalsContact O-OG1 3.13Å |
| 249 | L | 82.1 | Confident | 69.7 | Low | 46 Ų | 46 | 89.4 Ų | 89.4 | 24% | 0.241 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 178 | -166.7 | 139.3 | 0 | 0 | 0 | 111.9 | L18 G245 S246 N251 T252 L253 | L18-L249 HydrophobicContact CB-CD1 4.44Å; L18-L249 HydrophobicContact CD1-CD1 4.29Å; L18-L249 HydrophobicContact CD1-CD2 4.35Å; L18-L249 HydrophobicContact CD1-CG 3.68Å; L18-L249 HydrophobicContact CD2-CD2 4.35Å; L18-L249 HydrophobicContact CD2-CG 4.36Å; L18-L249 HydrophobicContact CG-CD1 3.76Å; L18-L249 HydrophobicContact CG-CD2 4.13Å; L18-L249 HydrophobicContact CG-CG 3.61Å; G245-L249 WeakPolarHBondContact O-CB 3.47Å; G245-L249 PolarHBondContact O-N 3Å; S246-L249 WeakPolarHBondContact O-CB 3.47Å; S246-L249 PolarHBondContact O-N 3.28Å; L249-N251 VanDerWaalsContact C-N 3.3Å; L249-N251 PolarHBondContact O-N 3.01Å; L249-T252 WeakPolarHBondContact O-CB 3.44Å; L249-T252 PolarHBondContact O-N 3.43Å; L249-L253 HydrophobicContact CD2-CD1 3.89Å; L249-L253 WeakPolarHBondContact O-CG 3.3Å; L249-L253 PolarHBondContact O-N 3.27Å |
| 250 | M | 83.7 | Confident | 71.2 | Confident | 83 Ų | 83 | 90.8 Ų | 90.8 | 41% | 0.409 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 176.4 | -76.4 | -65 | -84.9 | 0 | 0 | 112.6 | S246 L253 R254 | S246-M250 PolarHBondContact O-N 3.4Å; M250-L253 PolarHBondContact O-N 3.49Å; M250-L253 HydrophobicContact SD-CD1 4.39Å; M250-R254 WeakPolarHBondContact O-CB 3.31Å; M250-R254 VanDerWaalsContact O-CG 3.25Å; M250-R254 WeakPolarHBondContact O-CG 3.41Å; M250-R254 PolarHBondContact O-N 3.47Å |
| 251 | N | 86.3 | Confident | 72.3 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 40% | 0.401 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.6 | -68.5 | -20.4 | 0 | 0 | 0 | 111.8 | N247 Q248 L249 L253 R254 N255 | N247-N251 WeakPolarHBondContact O-CB 3.49Å; N247-N251 PolarHBondContact O-N 3.14Å; N247-N251 PolarHBondContact O-ND2 2.63Å; N247-N251 VanDerWaalsContact O-ND2 3.08Å; N247-N251 PolarHBondContact O-OD1 3.3Å; Q248-N251 PolarHBondContact O-N 3.19Å; L249-N251 VanDerWaalsContact C-N 3.3Å; L249-N251 PolarHBondContact O-N 3.01Å; N251-L253 VanDerWaalsContact C-N 3.35Å; N251-R254 PolarHBondContact O-N 3.35Å; N251-R254 PolarHBondContact OD1-NH1 3.08Å; N251-N255 WeakPolarHBondContact O-CB 3.25Å; N251-N255 PolarHBondContact O-N 3.41Å; N251-N255 PolarHBondContact O-ND2 3.39Å |
| 252 | T | 86.1 | Confident | 73.1 | Confident | 44 Ų | 44 | 92.2 Ų | 92.2 | 27% | 0.27 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 173.6 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | L18 F22 Q248 L249 R254 N255 D256 | L18-T252 HydrophobicContact CD1-CG2 3.86Å; F22-T252 HydrophobicContact CB-CG2 4.1Å; F22-T252 HydrophobicContact CD1-CG2 3.88Å; F22-T252 HydrophobicContact CG-CG2 4.42Å; Q248-T252 PolarHBondContact O-N 2.96Å; Q248-T252 PolarHBondContact O-OG1 2.88Å; Q248-T252 VanDerWaalsContact O-OG1 3.13Å; L249-T252 WeakPolarHBondContact O-CB 3.44Å; L249-T252 PolarHBondContact O-N 3.43Å; T252-R254 PolarHBondContact O-N 3.48Å; T252-N255 PolarHBondContact O-N 3.01Å; T252-D256 WeakPolarHBondContact O-CB 3.41Å; T252-D256 PolarHBondContact O-N 3.12Å |
| 253 | L | 85.8 | Confident | 73.4 | Confident | 15 Ų | 15 | 86.6 Ų | 86.6 | 8% | 0.079 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.8 | -69.9 | 177.9 | 0 | 0 | 0 | 112.6 | L18 F22 L99 L249 M250 N251 N255 D256 L257 L259 | L18-L253 HydrophobicContact CD1-CD2 4.34Å; L18-L253 HydrophobicContact CD1-CG 4.26Å; L18-L253 HydrophobicContact CD2-CD1 4.36Å; L18-L253 HydrophobicContact CD2-CD2 3.66Å; L18-L253 HydrophobicContact CD2-CG 4.1Å; F22-L253 HydrophobicContact CE1-CD2 3.91Å; F22-L253 HydrophobicContact CZ-CD2 4.12Å; L99-L253 HydrophobicContact CD2-CD2 4.01Å; L249-L253 HydrophobicContact CD2-CD1 3.89Å; L249-L253 WeakPolarHBondContact O-CG 3.3Å; L249-L253 PolarHBondContact O-N 3.27Å; M250-L253 PolarHBondContact O-N 3.49Å; M250-L253 HydrophobicContact SD-CD1 4.39Å; N251-L253 VanDerWaalsContact C-N 3.35Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 2.98Å; L253-D256 PolarHBondContact O-N 2.87Å; L253-L257 HydrophobicContact CD2-CD1 4.14Å; L253-L257 VanDerWaalsContact O-CB 3.3Å; L253-L257 WeakPolarHBondContact O-CB 3.25Å; L253-L257 PolarHBondContact O-N 2.92Å; L253-L259 HydrophobicContact CB-CD1 4.44Å |
| 254 | R | 85.3 | Confident | 73.5 | Confident | 107 Ų | 107 | 87.3 Ų | 87.3 | 40% | 0.404 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 175.7 | -76.8 | 172.7 | -177.2 | 145.7 | -3 | 111.9 | M250 N251 T252 Q258 | M250-R254 WeakPolarHBondContact O-CB 3.31Å; M250-R254 VanDerWaalsContact O-CG 3.25Å; M250-R254 WeakPolarHBondContact O-CG 3.41Å; M250-R254 PolarHBondContact O-N 3.47Å; N251-R254 PolarHBondContact O-N 3.35Å; N251-R254 PolarHBondContact OD1-NH1 3.08Å; T252-R254 PolarHBondContact O-N 3.48Å; R254-Q258 WeakPolarHBondContact O-CA 3.38Å; R254-Q258 PolarHBondContact O-N 3.44Å |
| 255 | N | 84.6 | Confident | 73.2 | Confident | 125 Ų | 125 | 86.7 Ų | 86.7 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.8 | -43.4 | 179.4 | -68.7 | -34.5 | 0 | 0 | 0 | 111.9 | N251 T252 L253 | N251-N255 WeakPolarHBondContact O-CB 3.25Å; N251-N255 PolarHBondContact O-N 3.41Å; N251-N255 PolarHBondContact O-ND2 3.39Å; T252-N255 PolarHBondContact O-N 3.01Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 2.98Å |
| 256 | D | 82.1 | Confident | 73.2 | Confident | 50 Ų | 50 | 89.6 Ų | 89.6 | 27% | 0.267 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.9 | -40.9 | -174 | -94 | 38.2 | 0 | 0 | 0 | 113.2 | F22 K101 T252 L253 | F22-D256 HydrophobicContact CE1-CB 4.36Å; K101-D256 IonicContact NZ-OD2 3.58Å; K101-D256 PolarHBondContact NZ-OD2 3.25Å; T252-D256 WeakPolarHBondContact O-CB 3.41Å; T252-D256 PolarHBondContact O-N 3.12Å; L253-D256 PolarHBondContact O-N 2.87Å |
| 257 | L | 82.1 | Confident | 72.8 | Confident | 32 Ų | 32 | 93.7 Ų | 93.7 | 17% | 0.168 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -95.1 | -10.3 | -178.6 | -58.7 | 177.5 | 0 | 0 | 0 | 112.3 | K84 L253 L259 | K84-L257 HydrophobicContact CB-CD2 4.06Å; K84-L257 VanDerWaalsContact CD-O 3.31Å; K84-L257 WeakPolarHBondContact CD-O 3.45Å; K84-L257 VanDerWaalsContact CE-O 3.25Å; K84-L257 WeakPolarHBondContact CE-O 3.02Å; K84-L257 PolarHBondContact NZ-O 2.92Å; K84-L257 VanDerWaalsContact NZ-O 3.12Å; L253-L257 HydrophobicContact CD2-CD1 4.14Å; L253-L257 VanDerWaalsContact O-CB 3.3Å; L253-L257 WeakPolarHBondContact O-CB 3.25Å; L253-L257 PolarHBondContact O-N 2.92Å; L257-L259 HydrophobicContact CB-CD1 4.4Å; L257-L259 HydrophobicContact CB-CD2 3.71Å; L257-L259 HydrophobicContact CB-CG 3.74Å; L257-L259 HydrophobicContact CD1-CD1 4.24Å; L257-L259 HydrophobicContact CD1-CD2 4.33Å; L257-L259 HydrophobicContact CD1-CG 4.42Å; L257-L259 PolarHBondContact O-N 3.22Å |
| 258 | Q | 72.9 | Confident | 72.1 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 64% | 0.64 | 57% | 0.567 | S | S | * | * | trans | 51.8 | 45.3 | -171.9 | -51.9 | 169.6 | -10 | 0 | 0 | 110.9 | R254 S260 | R254-Q258 WeakPolarHBondContact O-CA 3.38Å; R254-Q258 PolarHBondContact O-N 3.44Å; Q258-S260 PolarHBondContact O-N 2.83Å | ||
| 259 | L | 70.2 | Confident | 71.6 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | trans | -66.3 | 120 | 174.8 | -55.6 | 179 | 0 | 0 | 0 | 107.2 | L253 L257 | L253-L259 HydrophobicContact CB-CD1 4.44Å; L257-L259 HydrophobicContact CB-CD1 4.4Å; L257-L259 HydrophobicContact CB-CD2 3.71Å; L257-L259 HydrophobicContact CB-CG 3.74Å; L257-L259 HydrophobicContact CD1-CD1 4.24Å; L257-L259 HydrophobicContact CD1-CD2 4.33Å; L257-L259 HydrophobicContact CD1-CG 4.42Å; L257-L259 PolarHBondContact O-N 3.22Å | ||
| 260 | S | 66.3 | Low | 71 | Confident | 105 Ų | 105 | 103 Ų | 103 | 73% | 0.734 | 59% | 0.585 | S | S | * | * | trans | -55.2 | 144.5 | 166.1 | -55.8 | 0 | 0 | 0 | 0 | 108.4 | Q258 S262 | Q258-S260 PolarHBondContact O-N 2.83Å; S260-S262 PolarHBondContact O-N 2.94Å | ||
| 261 | E | 64.1 | Low | 70.3 | Confident | 169 Ų | 169 | 104.1 Ų | 104.1 | 79% | 0.79 | 59% | 0.594 | S | S | * | * | trans | -55.2 | 110.6 | 165.6 | 54.8 | -156.9 | 111.6 | 0 | 0 | 108.2 | G263 | E261-G263 PolarHBondContact O-N 2.96Š| ||
| 262 | S | 59.1 | Low | 69.4 | Low | 115 Ų | 115 | 105.8 Ų | 105.8 | 80% | 0.804 | 61% | 0.606 | S | S | * | * | trans | -64.8 | 90 | 163.8 | -57.9 | 0 | 0 | 0 | 0 | 105.7 | S260 S264 | S260-S262 PolarHBondContact O-N 2.94Å; S262-S264 PolarHBondContact O-N 2.8Å | ||
| 263 | G | 55.8 | Low | 68.3 | Low | 64 Ų | 64 | 109.7 Ų | 109.7 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | trans | -55 | 108.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106 | E261 D265 | E261-G263 PolarHBondContact O-N 2.96Å; G263-D265 VanDerWaalsContact C-N 3.29Å; G263-D265 PolarHBondContact O-N 2.93Å | ||
| 264 | S | 55.6 | Low | 67.2 | Low | 110 Ų | 110 | 116 Ų | 116 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | trans | -62 | 103.8 | 166.6 | -68 | 0 | 0 | 0 | 0 | 105.4 | S262 S266 | S262-S264 PolarHBondContact O-N 2.8Å; S264-S266 PolarHBondContact O-N 2.94Å | ||
| 265 | D | 46.4 | Very low | 65.9 | Low | 146 Ų | 146 | 116.6 Ų | 116.6 | 78% | 0.781 | 68% | 0.682 | S | S | * | * | trans | -71.8 | 84.1 | 171.6 | -148 | 13.1 | 0 | 0 | 0 | 106 | G263 D267 | G263-D265 VanDerWaalsContact C-N 3.29Å; G263-D265 PolarHBondContact O-N 2.93Å; D265-D267 PolarHBondContact O-N 3.5Å | ||
| 266 | S | 60 | Low | 64.5 | Low | 104 Ų | 104 | 116 Ų | 116 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -89.4 | 92.8 | 167.3 | 46.9 | 0 | 0 | 0 | 0 | 106.7 | S264 | S264-S266 PolarHBondContact O-N 2.94Š| ||
| 267 | D | 63.3 | Low | 63 | Low | 150 Ų | 150 | 121.5 Ų | 121.5 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | -59.4 | 125.8 | 161 | -81.2 | -48.5 | 0 | 0 | 0 | 108.8 | D265 | D265-D267 PolarHBondContact O-N 3.5Š| ||
| 268 | D | 60.2 | Low | 61.3 | Low | 236 Ų | 236 | 129.6 Ų | 129.6 | 100% | 1.262 | 77% | 0.767 | S | S | * | * | trans | -115.8 | 0 | 161.8 | -170.3 | 53 | 0 | 0 | 0 | 108.3 |
Retrieved 268 of 268 residues in 34.5 ms
(Link to these results)