| 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 | 34.7 | Very low | 46.3 | Very low | 245 Ų | 245 | 129.7 Ų | 129.7 | 100% | 1.207 | 77% | 0.771 | S | S | * | * | 0 | 98 | 0 | -69.6 | 173.9 | -171.9 | 0 | 0 | 107.5 | |||||
| 2 | N | 37.8 | Very low | 48 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | trans | -130.9 | 104.1 | 166 | -153.8 | -3.8 | 0 | 0 | 0 | 105 | A4 | N2-A4 PolarHBondContact O-N 2.94Š| ||
| 3 | V | 39.1 | Very low | 50.2 | Low | 130 Ų | 130 | 119 Ų | 119 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | trans | -66.6 | 115.9 | -174.6 | -159.2 | 0 | 0 | 0 | 0 | 105.1 | S5 | V3-S5 PolarHBondContact O-N 3.47Š| ||
| 4 | A | 44.4 | Very low | 52.1 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | trans | -48.2 | 118 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | N2 G6 | N2-A4 PolarHBondContact O-N 2.94Å; A4-G6 PolarHBondContact O-N 3.43Å | ||
| 5 | S | 44.1 | Very low | 54.2 | Low | 118 Ų | 118 | 117.7 Ų | 117.7 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | trans | -32.8 | 122.1 | 177.4 | -47.6 | 0 | 0 | 0 | 0 | 108.5 | V3 L7 | V3-S5 PolarHBondContact O-N 3.47Å; S5-L7 PolarHBondContact O-N 2.9Å | ||
| 6 | G | 38 | Very low | 56.5 | Low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | trans | -37.9 | 130.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A4 Q8 | A4-G6 PolarHBondContact O-N 3.43Å; G6-Q8 PolarHBondContact O-N 3.23Å | ||
| 7 | L | 45.4 | Very low | 58.6 | Low | 166 Ų | 166 | 111.8 Ų | 111.8 | 87% | 0.869 | 64% | 0.64 | S | S | * | * | trans | -54.1 | 77.8 | 156 | -67.8 | 160.9 | 0 | 0 | 0 | 105.7 | S5 V9 | S5-L7 PolarHBondContact O-N 2.9Å; L7-V9 HydrophobicContact CB-CG2 4.12Å; L7-V9 PolarHBondContact O-N 3.24Å | ||
| 8 | Q | 48.6 | Very low | 60.5 | Low | 170 Ų | 170 | 111.5 Ų | 111.5 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | trans | -59.6 | 88.7 | 148.4 | -75.6 | -174.1 | -24.9 | 0 | 0 | 101.3 | G6 S10 | G6-Q8 PolarHBondContact O-N 3.23Å; Q8-S10 PolarHBondContact O-N 3.19Å | ||
| 9 | V | 52.2 | Low | 62 | Low | 129 Ų | 129 | 106.3 Ų | 106.3 | 78% | 0.782 | 61% | 0.607 | S | S | * | * | trans | -66.8 | 60.1 | 153.6 | -171.1 | 0 | 0 | 0 | 0 | 104.1 | L7 N11 | L7-V9 HydrophobicContact CB-CG2 4.12Å; L7-V9 PolarHBondContact O-N 3.24Å; V9-N11 PolarHBondContact O-N 3.11Å; V9-N11 VanDerWaalsContact O-N 3.12Å | ||
| 10 | S | 58.5 | Low | 63.3 | Low | 73 Ų | 73 | 107.6 Ų | 107.6 | 51% | 0.51 | 62% | 0.619 | S | S | . | * | trans | -62.8 | 115.7 | 168.7 | 53.3 | 0 | 0 | 0 | 0 | 102.9 | Q8 P12 | Q8-S10 PolarHBondContact O-N 3.19Å; S10-P12 WeakPolarHBondContact O-CD 3.28Å | ||
| 11 | N | 66 | Low | 64.4 | Low | 76 Ų | 76 | 108.5 Ų | 108.5 | 41% | 0.406 | 61% | 0.613 | S | S | . | * | trans | -47.1 | 112.9 | 176.8 | 174.9 | 4.1 | 0 | 0 | 0 | 108.1 | V9 L13 H14 | V9-N11 PolarHBondContact O-N 3.11Å; V9-N11 VanDerWaalsContact O-N 3.12Å; N11-L13 PolarHBondContact O-N 3.07Å; N11-L13 WeakPolarHBondContact OD1-CB 3.27Å; N11-L13 WeakPolarHBondContact OD1-CD1 3.4Å; N11-L13 WeakPolarHBondContact OD1-CG 3.4Å; N11-L13 PolarHBondContact OD1-N 3.45Å; N11-H14 PolarHBondContact O-N 3.48Å | ||
| 12 | P | 66.7 | Low | 66.9 | Low | 58 Ų | 58 | 100.3 Ų | 100.3 | 38% | 0.377 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -68.7 | -9.2 | -168.3 | 31 | -38.4 | 0 | 0 | 0 | 111.9 | S10 H14 V15 | S10-P12 WeakPolarHBondContact O-CD 3.28Å; P12-H14 PolarHBondContact O-N 2.97Å; P12-V15 WeakPolarHBondContact O-CB 3.47Å; P12-V15 PolarHBondContact O-N 3.43Å |
| 13 | L | 76.5 | Confident | 69.2 | Low | 62 Ų | 62 | 95 Ų | 95 | 33% | 0.325 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -62.5 | -17.5 | 170.2 | -58.7 | 177.6 | 0 | 0 | 0 | 114 | N11 Q108 P110 | N11-L13 PolarHBondContact O-N 3.07Å; N11-L13 WeakPolarHBondContact OD1-CB 3.27Å; N11-L13 WeakPolarHBondContact OD1-CD1 3.4Å; N11-L13 WeakPolarHBondContact OD1-CG 3.4Å; N11-L13 PolarHBondContact OD1-N 3.45Å; L13-Q108 HydrophobicContact CD2-CB 4.34Å; L13-Q108 HydrophobicContact CD2-CG 4.28Å; L13-P110 HydrophobicContact CD1-CB 3.85Å; L13-P110 HydrophobicContact CD2-CB 4.07Å |
| 14 | H | 77.2 | Confident | 71.5 | Confident | 163 Ų | 163 | 95.5 Ų | 95.5 | 76% | 0.755 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -87.6 | -11.3 | 171.1 | -66.6 | -71.8 | 0 | 0 | 0 | 113.3 | N11 P12 | N11-H14 PolarHBondContact O-N 3.48Å; P12-H14 PolarHBondContact O-N 2.97Å |
| 15 | V | 84.5 | Confident | 73.7 | Confident | 56 Ų | 56 | 99.7 Ų | 99.7 | 34% | 0.339 | 54% | 0.543 | S | S | . | . | trans | -83.4 | 137.7 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | P12 P41 F42 | P12-V15 WeakPolarHBondContact O-CB 3.47Å; P12-V15 PolarHBondContact O-N 3.43Å; V15-P41 HydrophobicContact CG1-CG 4.19Å; V15-F42 HydrophobicContact CB-CE1 4.21Å; V15-F42 HydrophobicContact CB-CZ 4.05Å; V15-F42 HydrophobicContact CG1-CE1 4.13Å; V15-F42 HydrophobicContact CG1-CZ 3.83Å; V15-F42 WeakPolarHBondContact O-CZ 3.4Å | ||
| 16 | Q | 90.5 | Very high | 76 | Confident | 109 Ų | 109 | 94.9 Ų | 94.9 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 151.6 | 170.4 | 60.4 | -179.3 | -17.1 | 0 | 0 | 108 | T105 V106 Y107 | Q16-T105 HydrophobicContact CB-CG2 4.04Å; Q16-T105 HydrophobicContact CG-CG2 4.47Å; Q16-V106 WeakPolarHBondContact CA-O 3.21Å; Q16-Y107 HydrophobicContact CB-CD1 3.94Å; Q16-Y107 HydrophobicContact CB-CE1 3.94Å; Q16-Y107 PolarHBondContact OE1-OH 3.47Å |
| 17 | W | 92.6 | Very high | 78.6 | Confident | 25 Ų | 25 | 94.2 Ų | 94.2 | 10% | 0.095 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 114.4 | 175 | -178.5 | 69.4 | 0 | 0 | 0 | 109.8 | P19 Y34 N37 M39 N40 P41 F42 T105 V106 | W17-P19 HydrophobicContact CD2-CG 4.41Å; W17-P19 HydrophobicContact CE3-CG 4.26Å; W17-P19 HydrophobicContact CH2-CB 4.15Å; W17-P19 HydrophobicContact CH2-CG 3.68Å; W17-P19 HydrophobicContact CZ2-CB 3.85Å; W17-P19 HydrophobicContact CZ2-CG 3.84Å; W17-P19 HydrophobicContact CZ3-CG 3.91Å; W17-Y34 HydrophobicContact CE3-CE1 4.49Å; W17-Y34 HydrophobicContact CH2-CE2 4.34Å; W17-Y34 HydrophobicContact CZ3-CD1 4.41Å; W17-Y34 AromaticContact CZ3-CE1 3.75Å; W17-Y34 HydrophobicContact CZ3-CE1 3.75Å; W17-Y34 HydrophobicContact CZ3-CE2 4.19Å; W17-Y34 AromaticContact CZ3-CZ 3.6Å; W17-N37 HydrophobicContact CH2-CB 3.72Å; W17-N37 HydrophobicContact CZ2-CB 4.07Å; W17-N37 WeakPolarHBondContact CZ2-ND2 3.19Å; W17-M39 HydrophobicContact CZ2-CB 4.11Å; W17-M39 PolarHBondContact NE1-O 3.48Å; W17-N40 HydrophobicContact CD2-CB 3.8Å; W17-N40 HydrophobicContact CE3-CB 3.84Å; W17-N40 HydrophobicContact CG-CB 4.32Å; W17-N40 HydrophobicContact CH2-CB 4.27Å; W17-N40 HydrophobicContact CZ2-CB 4.23Å; W17-N40 HydrophobicContact CZ3-CB 4.08Å; W17-P41 HydrophobicContact CB-CG 4.33Å; W17-F42 HydrophobicContact CB-CD2 4.37Å; W17-F42 HydrophobicContact CB-CE2 4.11Å; W17-T105 WeakPolarHBondContact O-CA 3.42Å; W17-V106 HydrophobicContact CB-CB 4.29Å; W17-V106 HydrophobicContact CE3-CB 4.2Å; W17-V106 HydrophobicContact CE3-CG2 3.59Å; W17-V106 HydrophobicContact CZ3-CG2 4.11Å; W17-V106 PolarHBondContact N-O 3.33Å; W17-V106 PolarHBondContact O-N 3.12Å |
| 18 | N | 91.5 | Very high | 80.8 | Confident | 107 Ų | 107 | 88.6 Ų | 88.6 | 57% | 0.572 | 47% | 0.467 | S | S | * | . | trans | -126.1 | 87.7 | -177.1 | -173.9 | 22.6 | 0 | 0 | 0 | 110.1 | T105 | N18-T105 HydrophobicContact CB-CG2 3.97Å; N18-T105 VanDerWaalsContact CG-OG1 3.27Å; N18-T105 PolarHBondContact OD1-OG1 2.83Å; N18-T105 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 19 | P | 89.7 | Confident | 82.9 | Confident | 12 Ų | 12 | 85.8 Ų | 85.8 | 8% | 0.078 | 47% | 0.466 | C | S | . | . | trans | -69.6 | 154.3 | 175 | 30.2 | -35.2 | 0 | 0 | 0 | 111.2 | W17 W21 Y34 | W17-P19 HydrophobicContact CD2-CG 4.41Å; W17-P19 HydrophobicContact CE3-CG 4.26Å; W17-P19 HydrophobicContact CH2-CB 4.15Å; W17-P19 HydrophobicContact CH2-CG 3.68Å; W17-P19 HydrophobicContact CZ2-CB 3.85Å; W17-P19 HydrophobicContact CZ2-CG 3.84Å; W17-P19 HydrophobicContact CZ3-CG 3.91Å; P19-W21 HydrophobicContact CB-CD2 4.15Å; P19-W21 HydrophobicContact CB-CE3 4.41Å; P19-W21 HydrophobicContact CB-CG 4.29Å; P19-W21 HydrophobicContact CG-CE3 4.36Å; P19-W21 PolarHBondContact O-N 3.26Å; P19-Y34 VanDerWaalsContact CD-OH 3.25Å; P19-Y34 WeakPolarHBondContact CD-OH 3.31Å; P19-Y34 HydrophobicContact CG-CE2 3.82Å; P19-Y34 WeakPolarHBondContact CG-OH 3.36Å | ||
| 20 | P | 87.3 | Confident | 84.8 | Confident | 132 Ų | 132 | 81.7 Ų | 81.7 | 86% | 0.857 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -74.2 | 18 | -178.4 | 33.5 | -37.7 | 0 | 0 | 0 | 113.8 | ||
| 21 | W | 86.8 | Confident | 86.5 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -85 | 152.5 | -175.5 | -59.3 | -17.3 | 0 | 0 | 0 | 111.2 | P19 P23 Y34 N37 | P19-W21 HydrophobicContact CB-CD2 4.15Å; P19-W21 HydrophobicContact CB-CE3 4.41Å; P19-W21 HydrophobicContact CB-CG 4.29Å; P19-W21 HydrophobicContact CG-CE3 4.36Å; P19-W21 PolarHBondContact O-N 3.26Å; W21-P23 VanDerWaalsContact O-CD 3.3Å; W21-P23 WeakPolarHBondContact O-CD 3.4Å; W21-Y34 AromaticContact CE3-CD2 3.74Å; W21-Y34 HydrophobicContact CE3-CD2 3.74Å; W21-Y34 AromaticContact CE3-CE2 3.62Å; W21-Y34 HydrophobicContact CE3-CE2 3.62Å; W21-Y34 AromaticContact CZ3-CD2 3.89Å; W21-Y34 HydrophobicContact CZ3-CD2 3.89Å; W21-Y34 HydrophobicContact CZ3-CE2 4.1Å; W21-N37 WeakPolarHBondContact CH2-ND2 3.42Å |
| 22 | N | 88.5 | Confident | 87.8 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | trans | -68.4 | 121.5 | 179.6 | -169.9 | -24.6 | 0 | 0 | 0 | 110.5 | N24 W25 | N22-N24 PolarHBondContact O-N 3.05Å; N22-N24 VanDerWaalsContact O-N 3.17Å; N22-N24 WeakPolarHBondContact OD1-CB 3.45Å; N22-N24 PolarHBondContact OD1-N 2.96Å; N22-W25 HydrophobicContact CB-CD2 4.11Å; N22-W25 HydrophobicContact CB-CE3 4.45Å; N22-W25 HydrophobicContact CB-CG 4.39Å; N22-W25 PolarHBondContact O-N 2.56Å; N22-W25 VanDerWaalsContact O-N 3.15Å | ||
| 23 | P | 86 | Confident | 89 | Confident | 53 Ų | 53 | 81.4 Ų | 81.4 | 34% | 0.344 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -58.4 | -28.3 | 178.4 | -26.8 | 37 | 0 | 0 | 0 | 114.1 | W21 W25 I26 G103 | W21-P23 VanDerWaalsContact O-CD 3.3Å; W21-P23 WeakPolarHBondContact O-CD 3.4Å; P23-W25 PolarHBondContact O-N 3.39Å; P23-W25 VanDerWaalsContact O-N 3.13Å; P23-I26 WeakPolarHBondContact O-CB 3.4Å; P23-I26 PolarHBondContact O-N 2.87Å; P23-G103 WeakPolarHBondContact CG-O 3.43Å |
| 24 | N | 87.4 | Confident | 89.8 | Confident | 141 Ų | 141 | 79.4 Ų | 79.4 | 75% | 0.754 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -67.1 | -12.4 | -178.9 | -64.9 | -12 | 0 | 0 | 0 | 113.4 | N22 I26 | N22-N24 PolarHBondContact O-N 3.05Å; N22-N24 VanDerWaalsContact O-N 3.17Å; N22-N24 WeakPolarHBondContact OD1-CB 3.45Å; N22-N24 PolarHBondContact OD1-N 2.96Å; N24-I26 VanDerWaalsContact C-N 3.3Å |
| 25 | W | 89.8 | Confident | 90.6 | Very high | 178 Ų | 178 | 71.6 Ų | 71.6 | 67% | 0.674 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -81.6 | -13 | 173.9 | -64.9 | -14 | 0 | 0 | 0 | 112.4 | N22 P23 N30 | N22-W25 HydrophobicContact CB-CD2 4.11Å; N22-W25 HydrophobicContact CB-CE3 4.45Å; N22-W25 HydrophobicContact CB-CG 4.39Å; N22-W25 PolarHBondContact O-N 2.56Å; N22-W25 VanDerWaalsContact O-N 3.15Å; P23-W25 PolarHBondContact O-N 3.39Å; P23-W25 VanDerWaalsContact O-N 3.13Å; W25-N30 PolarHBondContact O-ND2 2.64Å |
| 26 | I | 91.7 | Very high | 90.9 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.087 | 36% | 0.364 | C | S | . | . | trans | -88.5 | 127.3 | -177.5 | -53 | 169.5 | 0 | 0 | 0 | 109.4 | P23 N24 N30 V31 Y34 F80 | P23-I26 WeakPolarHBondContact O-CB 3.4Å; P23-I26 PolarHBondContact O-N 2.87Å; N24-I26 VanDerWaalsContact C-N 3.3Å; I26-N30 WeakPolarHBondContact CA-OD1 3.41Å; I26-V31 HydrophobicContact CG2-CB 3.94Å; I26-V31 HydrophobicContact CG2-CG2 3.95Å; I26-Y34 HydrophobicContact CD1-CD1 4.05Å; I26-Y34 HydrophobicContact CD1-CD2 3.86Å; I26-Y34 HydrophobicContact CD1-CE1 3.82Å; I26-Y34 HydrophobicContact CD1-CE2 3.59Å; I26-Y34 HydrophobicContact CD1-CG 4.08Å; I26-Y34 HydrophobicContact CG1-CD2 4Å; I26-Y34 HydrophobicContact CG1-CE2 4.2Å; I26-Y34 HydrophobicContact CG1-CG 4.19Å; I26-F80 HydrophobicContact CG2-CD2 4.27Å; I26-F80 HydrophobicContact CG2-CE2 3.8Å; I26-F80 HydrophobicContact CG2-CZ 4.24Å | ||
| 27 | N | 92.8 | Very high | 90.9 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | trans | -142 | 174 | 179.7 | 60.3 | 49.3 | 0 | 0 | 0 | 110.1 | S29 N30 V31 E77 | N27-S29 PolarHBondContact O-N 2.94Å; N27-S29 VanDerWaalsContact O-N 3.09Å; N27-S29 PolarHBondContact OD1-N 3.13Å; N27-S29 PolarHBondContact OD1-OG 2.98Å; N27-N30 PolarHBondContact N-OD1 2.82Å; N27-N30 PolarHBondContact ND2-ND2 3.01Å; N27-N30 PolarHBondContact O-N 3.14Å; N27-N30 PolarHBondContact O-OD1 3.33Å; N27-N30 VanDerWaalsContact O-OD1 3.06Å; N27-N30 VanDerWaalsContact OD1-CG 3.26Å; N27-N30 PolarHBondContact OD1-N 3.03Å; N27-N30 PolarHBondContact OD1-OD1 3.21Å; N27-V31 VanDerWaalsContact O-CB 3.23Å; N27-V31 WeakPolarHBondContact O-CB 3.1Å; N27-V31 WeakPolarHBondContact O-CG1 3.37Å; N27-V31 PolarHBondContact O-N 3.11Å; N27-E77 VanDerWaalsContact CA-OE1 3.32Å; N27-E77 WeakPolarHBondContact CA-OE1 3.35Å; N27-E77 WeakPolarHBondContact CB-OE1 3.38Å | ||
| 28 | A | 92.9 | Very high | 90.7 | Very high | 49 Ų | 49 | 69.5 Ų | 69.5 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | L72 A75 E77 F80 | A28-L72 WeakPolarHBondContact O-CD2 3.41Å; A28-A75 HydrophobicContact CB-CB 3.88Å; A28-E77 PolarHBondContact N-OE1 3.42Å; A28-F80 HydrophobicContact CB-CE1 4.41Å |
| 29 | S | 92.2 | Very high | 90.6 | Very high | 111 Ų | 111 | 70.9 Ų | 70.9 | 78% | 0.776 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -27.9 | -178 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | N27 | N27-S29 PolarHBondContact O-N 2.94Å; N27-S29 VanDerWaalsContact O-N 3.09Å; N27-S29 PolarHBondContact OD1-N 3.13Å; N27-S29 PolarHBondContact OD1-OG 2.98Å |
| 30 | N | 92.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 70.5 Ų | 70.5 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -8.4 | -178.8 | 71 | 9.9 | 0 | 0 | 0 | 114.4 | W25 I26 N27 L32 E33 Y34 | W25-N30 PolarHBondContact O-ND2 2.64Å; I26-N30 WeakPolarHBondContact CA-OD1 3.41Å; N27-N30 PolarHBondContact N-OD1 2.82Å; N27-N30 PolarHBondContact ND2-ND2 3.01Å; N27-N30 PolarHBondContact O-N 3.14Å; N27-N30 PolarHBondContact O-OD1 3.33Å; N27-N30 VanDerWaalsContact O-OD1 3.06Å; N27-N30 VanDerWaalsContact OD1-CG 3.26Å; N27-N30 PolarHBondContact OD1-N 3.03Å; N27-N30 PolarHBondContact OD1-OD1 3.21Å; N30-L32 PolarHBondContact O-N 3.16Å; N30-E33 WeakPolarHBondContact O-CB 3.18Å; N30-E33 PolarHBondContact O-N 2.97Å; N30-Y34 PolarHBondContact O-N 3.19Å |
| 31 | V | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58 | -35.8 | -176.8 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | I26 N27 Y34 F35 L72 F80 I101 | I26-V31 HydrophobicContact CG2-CB 3.94Å; I26-V31 HydrophobicContact CG2-CG2 3.95Å; N27-V31 VanDerWaalsContact O-CB 3.23Å; N27-V31 WeakPolarHBondContact O-CB 3.1Å; N27-V31 WeakPolarHBondContact O-CG1 3.37Å; N27-V31 PolarHBondContact O-N 3.11Å; V31-Y34 PolarHBondContact O-N 2.88Å; V31-F35 WeakPolarHBondContact O-CB 2.95Å; V31-F35 PolarHBondContact O-N 3.12Å; V31-L72 HydrophobicContact CG1-CD1 3.74Å; V31-L72 HydrophobicContact CG1-CD2 3.73Å; V31-L72 HydrophobicContact CG1-CG 4.31Å; V31-F80 HydrophobicContact CB-CD1 4.14Å; V31-F80 HydrophobicContact CB-CE1 4.44Å; V31-F80 HydrophobicContact CB-CG 4.23Å; V31-F80 HydrophobicContact CG1-CD1 4.01Å; V31-F80 HydrophobicContact CG1-CE1 4.48Å; V31-F80 HydrophobicContact CG1-CG 4.43Å; V31-F80 HydrophobicContact CG2-CB 3.7Å; V31-F80 HydrophobicContact CG2-CD1 4.05Å; V31-F80 HydrophobicContact CG2-CD2 3.98Å; V31-F80 HydrophobicContact CG2-CG 3.65Å; V31-I101 HydrophobicContact CG2-CD1 3.64Å |
| 32 | L | 92.7 | Very high | 91.1 | Very high | 52 Ų | 52 | 63 Ų | 63 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 176.6 | -174.4 | 64 | 0 | 0 | 0 | 111 | N30 F35 T36 I82 | N30-L32 PolarHBondContact O-N 3.16Å; L32-F35 PolarHBondContact O-N 3.1Å; L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-T36 PolarHBondContact O-N 3.44Å; L32-I82 HydrophobicContact CD1-CD1 4.23Å |
| 33 | E | 91.1 | Very high | 91.4 | Very high | 148 Ų | 148 | 60.1 Ų | 60.1 | 69% | 0.692 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 175.7 | -176.4 | 178 | -173.4 | 0 | 0 | 111.1 | N30 F35 T36 | N30-E33 WeakPolarHBondContact O-CB 3.18Å; N30-E33 PolarHBondContact O-N 2.97Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 3.13Å; E33-T36 WeakPolarHBondContact CA-OG1 3.3Å; E33-T36 PolarHBondContact O-N 3.13Å; E33-T36 VanDerWaalsContact O-N 3.1Å; E33-T36 PolarHBondContact O-OG1 3.34Å |
| 34 | Y | 93.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 8% | 0.078 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56 | -43.2 | 174 | 169.1 | -91.1 | 0 | 0 | 0 | 111.9 | W17 P19 W21 I26 N30 V31 N37 I101 G104 V106 | W17-Y34 HydrophobicContact CE3-CE1 4.49Å; W17-Y34 HydrophobicContact CH2-CE2 4.34Å; W17-Y34 HydrophobicContact CZ3-CD1 4.41Å; W17-Y34 AromaticContact CZ3-CE1 3.75Å; W17-Y34 HydrophobicContact CZ3-CE1 3.75Å; W17-Y34 HydrophobicContact CZ3-CE2 4.19Å; W17-Y34 AromaticContact CZ3-CZ 3.6Å; P19-Y34 VanDerWaalsContact CD-OH 3.25Å; P19-Y34 WeakPolarHBondContact CD-OH 3.31Å; P19-Y34 HydrophobicContact CG-CE2 3.82Å; P19-Y34 WeakPolarHBondContact CG-OH 3.36Å; W21-Y34 AromaticContact CE3-CD2 3.74Å; W21-Y34 HydrophobicContact CE3-CD2 3.74Å; W21-Y34 AromaticContact CE3-CE2 3.62Å; W21-Y34 HydrophobicContact CE3-CE2 3.62Å; W21-Y34 AromaticContact CZ3-CD2 3.89Å; W21-Y34 HydrophobicContact CZ3-CD2 3.89Å; W21-Y34 HydrophobicContact CZ3-CE2 4.1Å; I26-Y34 HydrophobicContact CD1-CD1 4.05Å; I26-Y34 HydrophobicContact CD1-CD2 3.86Å; I26-Y34 HydrophobicContact CD1-CE1 3.82Å; I26-Y34 HydrophobicContact CD1-CE2 3.59Å; I26-Y34 HydrophobicContact CD1-CG 4.08Å; I26-Y34 HydrophobicContact CG1-CD2 4Å; I26-Y34 HydrophobicContact CG1-CE2 4.2Å; I26-Y34 HydrophobicContact CG1-CG 4.19Å; N30-Y34 PolarHBondContact O-N 3.19Å; V31-Y34 PolarHBondContact O-N 2.88Å; Y34-N37 WeakPolarHBondContact O-CB 3.46Å; Y34-N37 PolarHBondContact O-N 2.76Å; Y34-I101 HydrophobicContact CD1-CD1 4.22Å; Y34-I101 HydrophobicContact CD1-CG2 4.49Å; Y34-I101 HydrophobicContact CE1-CD1 4.38Å; Y34-I101 HydrophobicContact CE1-CG2 3.99Å; Y34-G104 PolarHBondContact OH-O 3.37Å; Y34-V106 HydrophobicContact CE1-CG2 3.87Å |
| 35 | F | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 177.3 | -175.3 | -87.3 | 0 | 0 | 0 | 112.8 | V31 L32 E33 N37 N40 F42 Y43 Y70 I82 Y99 I101 V106 | V31-F35 WeakPolarHBondContact O-CB 2.95Å; V31-F35 PolarHBondContact O-N 3.12Å; L32-F35 PolarHBondContact O-N 3.1Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 3.13Å; F35-N37 PolarHBondContact O-N 3.15Å; F35-N37 VanDerWaalsContact O-N 3.12Å; F35-N40 WeakPolarHBondContact CD2-ND2 3.3Å; F35-N40 WeakPolarHBondContact CE2-ND2 3.13Å; F35-N40 PolarHBondContact O-ND2 2.71Å; F35-F42 HydrophobicContact CE2-CB 4.39Å; F35-F42 HydrophobicContact CZ-CB 4.01Å; F35-Y43 HydrophobicContact CD1-CD2 4.13Å; F35-Y43 HydrophobicContact CE1-CD2 4.08Å; F35-Y70 HydrophobicContact CD1-CD1 4.13Å; F35-Y70 AromaticContact CE1-CD1 3.32Å; F35-Y70 HydrophobicContact CE1-CD1 3.32Å; F35-Y70 AromaticContact CE1-CE1 3.41Å; F35-Y70 HydrophobicContact CE1-CE1 3.41Å; F35-Y70 VanDerWaalsContact CE1-CE1 3.41Å; F35-Y70 HydrophobicContact CE1-CG 4.06Å; F35-Y70 AromaticContact CZ-CD1 3.98Å; F35-Y70 HydrophobicContact CZ-CD1 3.98Å; F35-Y70 AromaticContact CZ-CE1 3.83Å; F35-Y70 HydrophobicContact CZ-CE1 3.83Å; F35-I82 HydrophobicContact CB-CG1 4.28Å; F35-I82 HydrophobicContact CD1-CG2 4.07Å; F35-I82 HydrophobicContact CD2-CB 4.34Å; F35-I82 HydrophobicContact CD2-CG1 4.09Å; F35-I82 HydrophobicContact CD2-CG2 4.48Å; F35-I82 HydrophobicContact CE1-CG2 4.15Å; F35-I82 HydrophobicContact CE2-CB 4.44Å; F35-I82 HydrophobicContact CE2-CG2 4.5Å; F35-I82 HydrophobicContact CG-CB 4.49Å; F35-I82 HydrophobicContact CG-CG1 4.11Å; F35-I82 HydrophobicContact CG-CG2 4.25Å; F35-I82 HydrophobicContact CZ-CG2 4.35Å; F35-Y99 HydrophobicContact CE2-CD1 4.27Å; F35-Y99 HydrophobicContact CE2-CD2 4.26Å; F35-Y99 AromaticContact CE2-CG 3.84Å; F35-Y99 HydrophobicContact CE2-CG 3.84Å; F35-Y99 HydrophobicContact CZ-CD1 4.3Å; F35-Y99 AromaticContact CZ-CD2 3.87Å; F35-Y99 HydrophobicContact CZ-CD2 3.87Å; F35-Y99 HydrophobicContact CZ-CE2 4.31Å; F35-Y99 AromaticContact CZ-CG 3.87Å; F35-Y99 HydrophobicContact CZ-CG 3.87Å; F35-I101 HydrophobicContact CB-CD1 4.15Å; F35-I101 HydrophobicContact CD2-CD1 3.91Å; F35-I101 HydrophobicContact CG-CD1 4.49Å; F35-V106 HydrophobicContact CD2-CG1 3.92Å; F35-V106 HydrophobicContact CD2-CG2 4.43Å; F35-V106 HydrophobicContact CE2-CG1 3.62Å |
| 36 | T | 90.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.086 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 5.2 | 179.9 | 65.4 | 0 | 0 | 0 | 0 | 114.6 | L32 E33 T38 Y43 | L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-T36 PolarHBondContact O-N 3.44Å; E33-T36 WeakPolarHBondContact CA-OG1 3.3Å; E33-T36 PolarHBondContact O-N 3.13Å; E33-T36 VanDerWaalsContact O-N 3.1Å; E33-T36 PolarHBondContact O-OG1 3.34Å; T36-T38 PolarHBondContact O-N 3.35Å; T36-Y43 HydrophobicContact CG2-CD2 4.27Å; T36-Y43 HydrophobicContact CG2-CE2 3.53Å; T36-Y43 VanDerWaalsContact O-CD1 3.29Å; T36-Y43 WeakPolarHBondContact O-CD1 2.91Å; T36-Y43 WeakPolarHBondContact O-CE1 3.49Å |
| 37 | N | 90.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | trans | -60.1 | 129.3 | 175.7 | -174 | -15.6 | 0 | 0 | 0 | 110.5 | W17 W21 Y34 F35 M39 N40 | W17-N37 HydrophobicContact CH2-CB 3.72Å; W17-N37 HydrophobicContact CZ2-CB 4.07Å; W17-N37 WeakPolarHBondContact CZ2-ND2 3.19Å; W21-N37 WeakPolarHBondContact CH2-ND2 3.42Å; Y34-N37 WeakPolarHBondContact O-CB 3.46Å; Y34-N37 PolarHBondContact O-N 2.76Å; F35-N37 PolarHBondContact O-N 3.15Å; F35-N37 VanDerWaalsContact O-N 3.12Å; N37-M39 PolarHBondContact O-N 3.11Å; N37-M39 VanDerWaalsContact O-N 3.11Å; N37-M39 WeakPolarHBondContact OD1-CB 3.33Å; N37-M39 PolarHBondContact OD1-N 2.88Å; N37-N40 WeakPolarHBondContact O-CB 3.22Å; N37-N40 PolarHBondContact O-N 2.96Å | ||
| 38 | T | 87.4 | Confident | 91.9 | Very high | 100 Ų | 100 | 51.4 Ų | 51.4 | 61% | 0.613 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.8 | 178.7 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | T36 N40 | T36-T38 PolarHBondContact O-N 3.35Å; T38-N40 VanDerWaalsContact C-N 3.27Å |
| 39 | M | 89.8 | Confident | 91.8 | Very high | 137 Ų | 137 | 50.6 Ų | 50.6 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.6 | 171.5 | -63.1 | -59.2 | -61.2 | 0 | 0 | 113.2 | W17 N37 P41 | W17-M39 HydrophobicContact CZ2-CB 4.11Å; W17-M39 PolarHBondContact NE1-O 3.48Å; N37-M39 PolarHBondContact O-N 3.11Å; N37-M39 VanDerWaalsContact O-N 3.11Å; N37-M39 WeakPolarHBondContact OD1-CB 3.33Å; N37-M39 PolarHBondContact OD1-N 2.88Å; M39-P41 WeakPolarHBondContact O-CD 3.15Å |
| 40 | N | 91.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | trans | -77.9 | 113.9 | 176.9 | 179.7 | 6.4 | 0 | 0 | 0 | 109.8 | W17 F35 N37 T38 F42 Y43 | W17-N40 HydrophobicContact CD2-CB 3.8Å; W17-N40 HydrophobicContact CE3-CB 3.84Å; W17-N40 HydrophobicContact CG-CB 4.32Å; W17-N40 HydrophobicContact CH2-CB 4.27Å; W17-N40 HydrophobicContact CZ2-CB 4.23Å; W17-N40 HydrophobicContact CZ3-CB 4.08Å; F35-N40 WeakPolarHBondContact CD2-ND2 3.3Å; F35-N40 WeakPolarHBondContact CE2-ND2 3.13Å; F35-N40 PolarHBondContact O-ND2 2.71Å; N37-N40 WeakPolarHBondContact O-CB 3.22Å; N37-N40 PolarHBondContact O-N 2.96Å; T38-N40 VanDerWaalsContact C-N 3.27Å; N40-F42 PolarHBondContact O-N 3.45Å; N40-F42 VanDerWaalsContact O-N 3.14Å; N40-F42 WeakPolarHBondContact OD1-CB 3.29Å; N40-F42 WeakPolarHBondContact OD1-CD2 3.44Å; N40-F42 PolarHBondContact OD1-N 3.03Å; N40-Y43 PolarHBondContact O-N 2.64Å; N40-Y43 VanDerWaalsContact O-N 3.11Å | ||
| 41 | P | 90.8 | Very high | 91.7 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 56% | 0.558 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.7 | -179.7 | 28.4 | -36.3 | 0 | 0 | 0 | 113.7 | V15 W17 M39 | V15-P41 HydrophobicContact CG1-CG 4.19Å; W17-P41 HydrophobicContact CB-CG 4.33Å; M39-P41 WeakPolarHBondContact O-CD 3.15Å |
| 42 | F | 92.5 | Very high | 91.6 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -14.1 | 178.1 | -55.3 | -58 | 0 | 0 | 0 | 113.6 | V15 W17 F35 N40 Y70 Y99 V106 Q108 | V15-F42 HydrophobicContact CB-CE1 4.21Å; V15-F42 HydrophobicContact CB-CZ 4.05Å; V15-F42 HydrophobicContact CG1-CE1 4.13Å; V15-F42 HydrophobicContact CG1-CZ 3.83Å; V15-F42 WeakPolarHBondContact O-CZ 3.4Å; W17-F42 HydrophobicContact CB-CD2 4.37Å; W17-F42 HydrophobicContact CB-CE2 4.11Å; F35-F42 HydrophobicContact CE2-CB 4.39Å; F35-F42 HydrophobicContact CZ-CB 4.01Å; N40-F42 PolarHBondContact O-N 3.45Å; N40-F42 VanDerWaalsContact O-N 3.14Å; N40-F42 WeakPolarHBondContact OD1-CB 3.29Å; N40-F42 WeakPolarHBondContact OD1-CD2 3.44Å; N40-F42 PolarHBondContact OD1-N 3.03Å; F42-Y70 PolarHBondContact O-OH 2.98Å; F42-Y99 HydrophobicContact CB-CD1 3.92Å; F42-Y99 HydrophobicContact CB-CE1 3.49Å; F42-Y99 VanDerWaalsContact CB-CE1 3.49Å; F42-Y99 HydrophobicContact CD1-CD1 4.22Å; F42-Y99 AromaticContact CD1-CE1 3.62Å; F42-Y99 HydrophobicContact CD1-CE1 3.62Å; F42-Y99 HydrophobicContact CD2-CD1 4.33Å; F42-Y99 HydrophobicContact CD2-CE1 4.45Å; F42-Y99 HydrophobicContact CE1-CE1 4.47Å; F42-Y99 AromaticContact CG-CD1 3.9Å; F42-Y99 HydrophobicContact CG-CD1 3.9Å; F42-Y99 AromaticContact CG-CE1 3.61Å; F42-Y99 HydrophobicContact CG-CE1 3.61Å; F42-V106 HydrophobicContact CD2-CB 4.33Å; F42-V106 HydrophobicContact CD2-CG1 3.68Å; F42-V106 HydrophobicContact CE2-CB 4.42Å; F42-V106 HydrophobicContact CE2-CG1 4.07Å; F42-Q108 HydrophobicContact CE1-CB 4.06Å; F42-Q108 HydrophobicContact CZ-CB 4.45Å |
| 43 | Y | 93.5 | Very high | 91.3 | Very high | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | trans | -91.7 | 122.4 | -178.2 | -176.3 | -112.8 | 0 | 0 | 0 | 110.8 | F35 T36 N40 P45 C47 E50 Y70 | F35-Y43 HydrophobicContact CD1-CD2 4.13Å; F35-Y43 HydrophobicContact CE1-CD2 4.08Å; T36-Y43 HydrophobicContact CG2-CD2 4.27Å; T36-Y43 HydrophobicContact CG2-CE2 3.53Å; T36-Y43 VanDerWaalsContact O-CD1 3.29Å; T36-Y43 WeakPolarHBondContact O-CD1 2.91Å; T36-Y43 WeakPolarHBondContact O-CE1 3.49Å; N40-Y43 PolarHBondContact O-N 2.64Å; N40-Y43 VanDerWaalsContact O-N 3.11Å; Y43-P45 WeakPolarHBondContact O-CD 3.34Å; Y43-C47 VanDerWaalsContact CE2-SG 3.56Å; Y43-E50 WeakPolarHBondContact OH-CB 3.46Å; Y43-E50 PolarHBondContact OH-OE2 2.7Å; Y43-Y70 HydrophobicContact CD2-CD2 4.01Å; Y43-Y70 AromaticContact CD2-CE2 3.92Å; Y43-Y70 HydrophobicContact CD2-CE2 3.92Å; Y43-Y70 HydrophobicContact CD2-CG 4.48Å; Y43-Y70 AromaticContact CE2-CD2 3.95Å; Y43-Y70 HydrophobicContact CE2-CD2 3.95Å; Y43-Y70 HydrophobicContact CE2-CE2 4.18Å | ||
| 44 | D | 92.5 | Very high | 91.3 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -85.8 | 115.9 | 174.3 | -174.8 | -6.5 | 0 | 0 | 0 | 110.4 | N46 C47 Y70 | D44-N46 PolarHBondContact O-N 3.15Å; D44-N46 VanDerWaalsContact O-N 3.15Å; D44-N46 WeakPolarHBondContact OD1-CB 3.32Å; D44-N46 PolarHBondContact OD1-N 3.16Å; D44-N46 PolarHBondContact OD1-ND2 2.87Å; D44-C47 WeakPolarHBondContact O-CB 3.49Å; D44-C47 PolarHBondContact O-N 2.8Å; D44-C47 VanDerWaalsContact O-N 3.13Å; D44-C47 PolarHBondContact O-SG 2.86Å; D44-Y70 HydrophobicContact CB-CE2 4.43Å; D44-Y70 PolarHBondContact N-OH 3.01Å | ||
| 45 | P | 90.6 | Very high | 91.2 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.6 | 178.1 | 29 | -36.2 | 0 | 0 | 0 | 113.6 | Y43 C47 E50 | Y43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-C47 VanDerWaalsContact C-N 3.34Å; P45-E50 WeakPolarHBondContact O-CB 3.43Å; P45-E50 WeakPolarHBondContact O-CG 3.15Å |
| 46 | N | 91.7 | Very high | 90.9 | Very high | 120 Ų | 120 | 68.6 Ų | 68.6 | 64% | 0.642 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.5 | 176.5 | -53.3 | -68.4 | 0 | 0 | 0 | 112.9 | D44 | D44-N46 PolarHBondContact O-N 3.15Å; D44-N46 VanDerWaalsContact O-N 3.15Å; D44-N46 WeakPolarHBondContact OD1-CB 3.32Å; D44-N46 PolarHBondContact OD1-N 3.16Å; D44-N46 PolarHBondContact OD1-ND2 2.87Å |
| 47 | C | 92.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.014 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -68.7 | 160.8 | -178.9 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | Y43 D44 P45 N49 E50 Q51 V68 Y70 | Y43-C47 VanDerWaalsContact CE2-SG 3.56Å; D44-C47 WeakPolarHBondContact O-CB 3.49Å; D44-C47 PolarHBondContact O-N 2.8Å; D44-C47 VanDerWaalsContact O-N 3.13Å; D44-C47 PolarHBondContact O-SG 2.86Å; P45-C47 VanDerWaalsContact C-N 3.34Å; C47-N49 VanDerWaalsContact C-N 3.29Å; C47-N49 PolarHBondContact O-N 2.79Å; C47-E50 WeakPolarHBondContact O-CB 3.34Å; C47-E50 PolarHBondContact O-N 3.4Å; C47-E50 VanDerWaalsContact O-N 3.13Å; C47-Q51 PolarHBondContact O-N 3.24Å; C47-Q51 VanDerWaalsContact O-N 3.12Å; C47-V68 HydrophobicContact CB-CG1 4.47Å; C47-V68 WeakPolarHBondContact CB-O 3.4Å; C47-Y70 HydrophobicContact CB-CD2 4.06Å; C47-Y70 HydrophobicContact CB-CE2 3.89Å |
| 48 | L | 92.1 | Very high | 90.8 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.9 | -33.8 | -176.6 | -173 | 58.9 | 0 | 0 | 0 | 112.5 | E50 Q51 I52 L62 A65 V68 E69 | L48-E50 VanDerWaalsContact C-N 3.31Å; L48-E50 PolarHBondContact O-N 2.88Å; L48-Q51 PolarHBondContact O-N 2.6Å; L48-I52 HydrophobicContact CD1-CD1 4.49Å; L48-I52 HydrophobicContact CG-CD1 4.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 2.86Å; L48-L62 HydrophobicContact CB-CD2 4.45Å; L48-L62 HydrophobicContact CD2-CD2 3.29Å; L48-L62 HydrophobicContact CG-CD2 3.5Å; L48-L62 VanDerWaalsContact CG-CD2 3.5Å; L48-A65 HydrophobicContact CD1-CB 3.83Å; L48-A65 HydrophobicContact CD2-CB 3.91Å; L48-V68 VanDerWaalsContact CB-O 3.3Å; L48-V68 WeakPolarHBondContact CB-O 3.44Å; L48-V68 PolarHBondContact N-O 3.23Å; L48-E69 HydrophobicContact CB-CB 4.42Å |
| 49 | N | 91.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 72.5 Ų | 72.5 | 17% | 0.171 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 173.9 | -61.3 | 70.1 | 0 | 0 | 0 | 111.2 | C47 I52 R53 E69 Y70 | C47-N49 VanDerWaalsContact C-N 3.29Å; C47-N49 PolarHBondContact O-N 2.79Å; N49-I52 PolarHBondContact O-N 2.81Å; N49-R53 VanDerWaalsContact O-CB 3.3Å; N49-R53 WeakPolarHBondContact O-CB 3.46Å; N49-R53 PolarHBondContact O-N 3.06Å; N49-E69 WeakPolarHBondContact OD1-CA 3.49Å; N49-E69 WeakPolarHBondContact OD1-CB 3.23Å; N49-Y70 PolarHBondContact ND2-O 2.69Å; N49-Y70 PolarHBondContact OD1-N 2.74Å |
| 50 | E | 92 | Very high | 90.2 | Very high | 5 Ų | 5 | 73 Ų | 73 | 2% | 0.023 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.1 | -41.5 | -179.9 | -166.8 | 54.6 | -149 | 0 | 0 | 111.1 | Y43 P45 C47 L48 I52 R53 M54 | Y43-E50 WeakPolarHBondContact OH-CB 3.46Å; Y43-E50 PolarHBondContact OH-OE2 2.7Å; P45-E50 WeakPolarHBondContact O-CB 3.43Å; P45-E50 WeakPolarHBondContact O-CG 3.15Å; C47-E50 WeakPolarHBondContact O-CB 3.34Å; C47-E50 PolarHBondContact O-N 3.4Å; C47-E50 VanDerWaalsContact O-N 3.13Å; L48-E50 VanDerWaalsContact C-N 3.31Å; L48-E50 PolarHBondContact O-N 2.88Å; E50-I52 PolarHBondContact O-N 3.11Å; E50-R53 PolarHBondContact O-N 2.83Å; E50-R53 IonicContact OE1-CZ 2.73Å; E50-R53 IonicContact OE1-NE 3.93Å; E50-R53 PolarHBondContact OE1-NE 3.17Å; E50-R53 IonicContact OE1-NH2 3.67Å; E50-R53 PolarHBondContact OE1-NH2 2.71Å; E50-R53 IonicContact OE2-CZ 3.1Å; E50-R53 VanDerWaalsContact OE2-CZ 3.29Å; E50-R53 IonicContact OE2-NE 3.39Å; E50-R53 PolarHBondContact OE2-NE 3.14Å; E50-R53 IonicContact OE2-NH2 2.56Å; E50-R53 PolarHBondContact OE2-NH2 2.92Å; E50-M54 HydrophobicContact CG-CE 3.8Å; E50-M54 HydrophobicContact CG-CG 4.44Å; E50-M54 HydrophobicContact CG-SD 4.43Å; E50-M54 WeakPolarHBondContact O-CB 3.19Å; E50-M54 VanDerWaalsContact O-CG 3.31Å; E50-M54 WeakPolarHBondContact O-CG 3.38Å; E50-M54 PolarHBondContact O-N 2.88Å; E50-M54 WeakPolarHBondContact OE1-CE 3.46Å |
| 51 | Q | 91.3 | Very high | 89.9 | Confident | 92 Ų | 92 | 75.1 Ų | 75.1 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 175.7 | -68 | 177.7 | -12.2 | 0 | 0 | 112.2 | C47 L48 R53 M54 Q55 | C47-Q51 PolarHBondContact O-N 3.24Å; C47-Q51 VanDerWaalsContact O-N 3.12Å; L48-Q51 PolarHBondContact O-N 2.6Å; Q51-R53 VanDerWaalsContact C-N 3.32Å; Q51-R53 PolarHBondContact O-N 3.2Å; Q51-M54 PolarHBondContact O-N 2.74Å; Q51-Q55 VanDerWaalsContact O-CB 3.27Å; Q51-Q55 WeakPolarHBondContact O-CB 3.07Å; Q51-Q55 VanDerWaalsContact O-CG 3.28Å; Q51-Q55 WeakPolarHBondContact O-CG 3.46Å; Q51-Q55 PolarHBondContact O-N 3.12Å |
| 52 | I | 90.1 | Very high | 89.5 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 11% | 0.108 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 177.7 | -71 | 174.9 | 0 | 0 | 0 | 110.8 | L48 N49 E50 R56 L57 L62 | L48-I52 HydrophobicContact CD1-CD1 4.49Å; L48-I52 HydrophobicContact CG-CD1 4.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 2.86Å; N49-I52 PolarHBondContact O-N 2.81Å; E50-I52 PolarHBondContact O-N 3.11Å; I52-R56 WeakPolarHBondContact O-CA 3.15Å; I52-R56 PolarHBondContact O-N 3.1Å; I52-L57 HydrophobicContact CG1-CB 4.49Å; I52-L57 HydrophobicContact CG2-CB 4.18Å; I52-L57 WeakPolarHBondContact CG2-O 3.46Å; I52-L57 PolarHBondContact O-N 3.35Å; I52-L62 HydrophobicContact CD1-CD1 4.35Å; I52-L62 HydrophobicContact CD1-CD2 3.23Å; I52-L62 HydrophobicContact CD1-CG 3.46Å; I52-L62 VanDerWaalsContact CD1-CG 3.46Å |
| 53 | R | 87.8 | Confident | 88.9 | Confident | 139 Ų | 139 | 74.4 Ų | 74.4 | 53% | 0.525 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 177.5 | -171.7 | 174.6 | 72.7 | 87.5 | -14.4 | 111.9 | N49 E50 Q51 R56 | N49-R53 VanDerWaalsContact O-CB 3.3Å; N49-R53 WeakPolarHBondContact O-CB 3.46Å; N49-R53 PolarHBondContact O-N 3.06Å; E50-R53 PolarHBondContact O-N 2.83Å; E50-R53 IonicContact OE1-CZ 2.73Å; E50-R53 IonicContact OE1-NE 3.93Å; E50-R53 PolarHBondContact OE1-NE 3.17Å; E50-R53 IonicContact OE1-NH2 3.67Å; E50-R53 PolarHBondContact OE1-NH2 2.71Å; E50-R53 IonicContact OE2-CZ 3.1Å; E50-R53 VanDerWaalsContact OE2-CZ 3.29Å; E50-R53 IonicContact OE2-NE 3.39Å; E50-R53 PolarHBondContact OE2-NE 3.14Å; E50-R53 IonicContact OE2-NH2 2.56Å; E50-R53 PolarHBondContact OE2-NH2 2.92Å; Q51-R53 VanDerWaalsContact C-N 3.32Å; Q51-R53 PolarHBondContact O-N 3.2Å; R53-R56 PolarHBondContact O-N 3.27Å |
| 54 | M | 90.2 | Very high | 88.4 | Confident | 133 Ų | 133 | 84.3 Ų | 84.3 | 66% | 0.655 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.9 | -41.6 | 179.2 | -72 | -169.7 | 179 | 0 | 0 | 112.2 | E50 Q51 R56 | E50-M54 HydrophobicContact CG-CE 3.8Å; E50-M54 HydrophobicContact CG-CG 4.44Å; E50-M54 HydrophobicContact CG-SD 4.43Å; E50-M54 WeakPolarHBondContact O-CB 3.19Å; E50-M54 VanDerWaalsContact O-CG 3.31Å; E50-M54 WeakPolarHBondContact O-CG 3.38Å; E50-M54 PolarHBondContact O-N 2.88Å; E50-M54 WeakPolarHBondContact OE1-CE 3.46Å; Q51-M54 PolarHBondContact O-N 2.74Å; M54-R56 VanDerWaalsContact C-N 3.28Å; M54-R56 PolarHBondContact O-N 2.96Å |
| 55 | Q | 91 | Very high | 88.1 | Confident | 126 Ų | 126 | 82.8 Ų | 82.8 | 59% | 0.589 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -83.7 | -2.7 | -179.1 | -63.2 | 177.9 | 16.9 | 0 | 0 | 113.3 | Q51 L57 | Q51-Q55 VanDerWaalsContact O-CB 3.27Å; Q51-Q55 WeakPolarHBondContact O-CB 3.07Å; Q51-Q55 VanDerWaalsContact O-CG 3.28Å; Q51-Q55 WeakPolarHBondContact O-CG 3.46Å; Q51-Q55 PolarHBondContact O-N 3.12Å; Q55-L57 HydrophobicContact CB-CD1 3.95Å; Q55-L57 HydrophobicContact CB-CG 3.73Å; Q55-L57 PolarHBondContact O-N 3Å |
| 56 | R | 89.6 | Confident | 88.1 | Confident | 235 Ų | 235 | 82.8 Ų | 82.8 | 89% | 0.887 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.2 | -176.8 | -55.6 | -178.3 | 177.4 | -171.6 | -1.7 | 112.5 | I52 R53 M54 | I52-R56 WeakPolarHBondContact O-CA 3.15Å; I52-R56 PolarHBondContact O-N 3.1Å; R53-R56 PolarHBondContact O-N 3.27Å; M54-R56 VanDerWaalsContact C-N 3.28Å; M54-R56 PolarHBondContact O-N 2.96Å |
| 57 | L | 89.7 | Confident | 88.2 | Confident | 72 Ų | 72 | 77.7 Ų | 77.7 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | trans | -80.5 | 158.5 | 179.3 | -68.7 | 176.7 | 0 | 0 | 0 | 111.1 | I52 Q55 V61 | I52-L57 HydrophobicContact CG1-CB 4.49Å; I52-L57 HydrophobicContact CG2-CB 4.18Å; I52-L57 WeakPolarHBondContact CG2-O 3.46Å; I52-L57 PolarHBondContact O-N 3.35Å; Q55-L57 HydrophobicContact CB-CD1 3.95Å; Q55-L57 HydrophobicContact CB-CG 3.73Å; Q55-L57 PolarHBondContact O-N 3Å; L57-V61 HydrophobicContact CB-CG2 4.14Å; L57-V61 HydrophobicContact CD1-CG1 4.27Å; L57-V61 HydrophobicContact CD1-CG2 4.4Å | ||
| 58 | S | 88.1 | Confident | 88.3 | Confident | 60 Ų | 60 | 79 Ų | 79 | 42% | 0.42 | 39% | 0.391 | S | S | . | . | trans | -70.8 | 147.3 | 170.8 | 67.1 | 0 | 0 | 0 | 0 | 110.4 | E60 V61 | S58-E60 PolarHBondContact O-N 2.95Å; S58-E60 VanDerWaalsContact O-N 3.1Å; S58-V61 WeakPolarHBondContact O-CB 3.39Å; S58-V61 WeakPolarHBondContact O-CG2 3.43Å; S58-V61 PolarHBondContact O-N 3.47Å; S58-V61 VanDerWaalsContact O-N 3.11Å | ||
| 59 | P | 80.7 | Confident | 88.3 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -63.7 | -15.6 | 177.4 | 26.6 | -35 | 0 | 0 | 0 | 112.7 | V61 L62 | P59-V61 PolarHBondContact O-N 2.85Å; P59-L62 WeakPolarHBondContact O-CB 3.42Å; P59-L62 VanDerWaalsContact O-CG 3.22Å; P59-L62 WeakPolarHBondContact O-CG 3.44Å; P59-L62 PolarHBondContact O-N 3.3Å; P59-L62 VanDerWaalsContact O-N 3.11Å |
| 60 | E | 85.3 | Confident | 88.5 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -62.5 | -23.8 | 174.1 | -64.1 | -177 | 171.8 | 0 | 0 | 113 | S58 L62 S63 | S58-E60 PolarHBondContact O-N 2.95Å; S58-E60 VanDerWaalsContact O-N 3.1Å; E60-L62 PolarHBondContact O-N 3Å; E60-S63 WeakPolarHBondContact O-CB 3.14Å; E60-S63 PolarHBondContact O-N 2.69Å; E60-S63 PolarHBondContact O-OG 3.36Å |
| 61 | V | 85.2 | Confident | 88.6 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 30% | 0.297 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -60.8 | -26.9 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | L57 S58 P59 S63 R64 A65 | L57-V61 HydrophobicContact CB-CG2 4.14Å; L57-V61 HydrophobicContact CD1-CG1 4.27Å; L57-V61 HydrophobicContact CD1-CG2 4.4Å; S58-V61 WeakPolarHBondContact O-CB 3.39Å; S58-V61 WeakPolarHBondContact O-CG2 3.43Å; S58-V61 PolarHBondContact O-N 3.47Å; S58-V61 VanDerWaalsContact O-N 3.11Å; P59-V61 PolarHBondContact O-N 2.85Å; V61-S63 PolarHBondContact O-N 3.02Å; V61-S63 VanDerWaalsContact O-N 3.16Å; V61-R64 PolarHBondContact O-N 3.2Å; V61-A65 PolarHBondContact O-N 2.84Å; V61-A65 VanDerWaalsContact O-N 3.13Å |
| 62 | L | 81.4 | Confident | 88.8 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 19% | 0.194 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -53.6 | -35.5 | 172.7 | -66.3 | 174.8 | 0 | 0 | 0 | 112 | L48 I52 P59 E60 R64 A65 R87 | L48-L62 HydrophobicContact CB-CD2 4.45Å; L48-L62 HydrophobicContact CD2-CD2 3.29Å; L48-L62 HydrophobicContact CG-CD2 3.5Å; L48-L62 VanDerWaalsContact CG-CD2 3.5Å; I52-L62 HydrophobicContact CD1-CD1 4.35Å; I52-L62 HydrophobicContact CD1-CD2 3.23Å; I52-L62 HydrophobicContact CD1-CG 3.46Å; I52-L62 VanDerWaalsContact CD1-CG 3.46Å; P59-L62 WeakPolarHBondContact O-CB 3.42Å; P59-L62 VanDerWaalsContact O-CG 3.22Å; P59-L62 WeakPolarHBondContact O-CG 3.44Å; P59-L62 PolarHBondContact O-N 3.3Å; P59-L62 VanDerWaalsContact O-N 3.11Å; E60-L62 PolarHBondContact O-N 3Å; L62-R64 PolarHBondContact O-N 3.36Å; L62-R64 VanDerWaalsContact O-N 3.14Å; L62-A65 PolarHBondContact O-N 3.46Å; L62-R87 WeakPolarHBondContact O-CD 3.32Å |
| 63 | S | 81.2 | Confident | 89 | Confident | 50 Ų | 50 | 80.2 Ų | 80.2 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -64.4 | -19.9 | -179 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | E60 V61 | E60-S63 WeakPolarHBondContact O-CB 3.14Å; E60-S63 PolarHBondContact O-N 2.69Å; E60-S63 PolarHBondContact O-OG 3.36Å; V61-S63 PolarHBondContact O-N 3.02Å; V61-S63 VanDerWaalsContact O-N 3.16Å |
| 64 | R | 83.3 | Confident | 89.4 | Confident | 220 Ų | 220 | 78.5 Ų | 78.5 | 83% | 0.83 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -15.6 | -175.8 | -56.8 | -178.8 | -170.1 | 176.7 | 3 | 112.9 | V61 L62 | V61-R64 PolarHBondContact O-N 3.2Å; L62-R64 PolarHBondContact O-N 3.36Å; L62-R64 VanDerWaalsContact O-N 3.14Å |
| 65 | A | 85.9 | Confident | 89.6 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | trans | -94.1 | 155.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L48 V61 L62 R87 | L48-A65 HydrophobicContact CD1-CB 3.83Å; L48-A65 HydrophobicContact CD2-CB 3.91Å; V61-A65 PolarHBondContact O-N 2.84Å; V61-A65 VanDerWaalsContact O-N 3.13Å; L62-A65 PolarHBondContact O-N 3.46Å; A65-R87 WeakPolarHBondContact O-CD 3.33Å | ||
| 66 | S | 90.9 | Very high | 89.7 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | trans | -122.1 | 138.9 | 172 | 59.9 | 0 | 0 | 0 | 0 | 109.7 | R87 | S66-R87 CarbonylContact C-O 3.57Å; S66-R87 WeakPolarHBondContact CA-O 3.43Å; S66-R87 WeakPolarHBondContact CB-O 3.34Å | ||
| 67 | G | 92.5 | Very high | 89.7 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.4 | -174.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y86 R87 | G67-Y86 WeakPolarHBondContact O-CA 3.34Å; G67-R87 PolarHBondContact N-O 3.25Å; G67-R87 PolarHBondContact O-N 2.81Å |
| 68 | V | 94.5 | Very high | 89.7 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.3 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | C47 L48 Y70 K84 Q85 Y86 M96 | C47-V68 HydrophobicContact CB-CG1 4.47Å; C47-V68 WeakPolarHBondContact CB-O 3.4Å; L48-V68 VanDerWaalsContact CB-O 3.3Å; L48-V68 WeakPolarHBondContact CB-O 3.44Å; L48-V68 PolarHBondContact N-O 3.23Å; V68-Y70 HydrophobicContact CG1-CE2 4.38Å; V68-K84 HydrophobicContact CG1-CD 4.37Å; V68-K84 HydrophobicContact CG1-CG 3.75Å; V68-Q85 WeakPolarHBondContact CA-O 3.39Å; V68-Y86 HydrophobicContact CG2-CD2 3.96Å; V68-M96 HydrophobicContact CG2-SD 4.17Å |
| 69 | E | 93.5 | Very high | 90 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.028 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 157.2 | 172.9 | 67.8 | -179.3 | -161.6 | 0 | 0 | 110.8 | L48 N49 K84 Q85 R87 | L48-E69 HydrophobicContact CB-CB 4.42Å; N49-E69 WeakPolarHBondContact OD1-CA 3.49Å; N49-E69 WeakPolarHBondContact OD1-CB 3.23Å; E69-K84 WeakPolarHBondContact O-CA 3.25Å; E69-Q85 HydrophobicContact CG-CG 3.46Å; E69-Q85 VanDerWaalsContact CG-CG 3.46Å; E69-Q85 PolarHBondContact N-O 3.2Å; E69-Q85 PolarHBondContact O-N 2.91Å; E69-Q85 PolarHBondContact OE1-NE2 2.76Å; E69-R87 IonicContact OE1-CZ 3.4Å; E69-R87 IonicContact OE1-NE 2.87Å; E69-R87 PolarHBondContact OE1-NE 2.9Å; E69-R87 IonicContact OE1-NH2 3.41Å; E69-R87 PolarHBondContact OE1-NH2 3.13Å; E69-R87 IonicContact OE2-CZ 2.79Å; E69-R87 IonicContact OE2-NE 3.29Å; E69-R87 PolarHBondContact OE2-NE 3.15Å; E69-R87 IonicContact OE2-NH2 2.88Å; E69-R87 PolarHBondContact OE2-NH2 3.17Å; E69-R87 VanDerWaalsContact OE2-NH2 3.17Å |
| 70 | Y | 95.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.5 | 172.5 | -67.6 | -94.8 | 0 | 0 | 0 | 109 | F35 F42 Y43 D44 C47 N49 V68 I82 R83 K84 Y99 | F35-Y70 HydrophobicContact CD1-CD1 4.13Å; F35-Y70 AromaticContact CE1-CD1 3.32Å; F35-Y70 HydrophobicContact CE1-CD1 3.32Å; F35-Y70 AromaticContact CE1-CE1 3.41Å; F35-Y70 HydrophobicContact CE1-CE1 3.41Å; F35-Y70 VanDerWaalsContact CE1-CE1 3.41Å; F35-Y70 HydrophobicContact CE1-CG 4.06Å; F35-Y70 AromaticContact CZ-CD1 3.98Å; F35-Y70 HydrophobicContact CZ-CD1 3.98Å; F35-Y70 AromaticContact CZ-CE1 3.83Å; F35-Y70 HydrophobicContact CZ-CE1 3.83Å; F42-Y70 PolarHBondContact O-OH 2.98Å; Y43-Y70 HydrophobicContact CD2-CD2 4.01Å; Y43-Y70 AromaticContact CD2-CE2 3.92Å; Y43-Y70 HydrophobicContact CD2-CE2 3.92Å; Y43-Y70 HydrophobicContact CD2-CG 4.48Å; Y43-Y70 AromaticContact CE2-CD2 3.95Å; Y43-Y70 HydrophobicContact CE2-CD2 3.95Å; Y43-Y70 HydrophobicContact CE2-CE2 4.18Å; D44-Y70 HydrophobicContact CB-CE2 4.43Å; D44-Y70 PolarHBondContact N-OH 3.01Å; C47-Y70 HydrophobicContact CB-CD2 4.06Å; C47-Y70 HydrophobicContact CB-CE2 3.89Å; N49-Y70 PolarHBondContact ND2-O 2.69Å; N49-Y70 PolarHBondContact OD1-N 2.74Å; V68-Y70 HydrophobicContact CG1-CE2 4.38Å; Y70-I82 HydrophobicContact CD1-CG2 4.04Å; Y70-R83 WeakPolarHBondContact CA-O 3.05Å; Y70-K84 HydrophobicContact CD1-CB 3.92Å; Y70-K84 HydrophobicContact CD1-CG 4.36Å; Y70-K84 HydrophobicContact CE1-CB 3.68Å; Y70-K84 HydrophobicContact CE1-CD 4.06Å; Y70-K84 HydrophobicContact CE1-CG 3.86Å; Y70-K84 HydrophobicContact CE2-CG 4.49Å; Y70-Y99 HydrophobicContact CE1-CE2 4.05Å |
| 71 | A | 93.8 | Very high | 91.3 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L73 I82 R83 | A71-L73 PolarHBondContact O-N 2.78Å; A71-I82 CarbonylContact O-C 3.59Å; A71-I82 WeakPolarHBondContact O-CA 3.45Å; A71-R83 PolarHBondContact N-O 3.06Å; A71-R83 PolarHBondContact O-N 3.48Å |
| 72 | L | 95.5 | Very high | 91.8 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 112.1 | 169.9 | 178.4 | 62.9 | 0 | 0 | 0 | 109 | A28 V31 F74 A75 F80 I82 | A28-L72 WeakPolarHBondContact O-CD2 3.41Å; V31-L72 HydrophobicContact CG1-CD1 3.74Å; V31-L72 HydrophobicContact CG1-CD2 3.73Å; V31-L72 HydrophobicContact CG1-CG 4.31Å; L72-F74 WeakPolarHBondContact CD1-O 3.35Å; L72-A75 HydrophobicContact CD1-CB 4.34Å; L72-A75 HydrophobicContact CD2-CB 4.17Å; L72-F80 HydrophobicContact CD1-CB 4.33Å; L72-I82 HydrophobicContact CB-CD1 4.07Å; L72-I82 HydrophobicContact CD1-CD1 3.67Å; L72-I82 HydrophobicContact CG-CD1 4.49Å |
| 73 | L | 94.2 | Very high | 92.5 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -41.3 | -179.6 | -175 | 72.4 | 0 | 0 | 0 | 111.7 | A71 V81 R83 | A71-L73 PolarHBondContact O-N 2.78Å; L73-V81 HydrophobicContact CB-CB 4.4Å; L73-V81 HydrophobicContact CB-CG1 4.32Å; L73-V81 HydrophobicContact CD2-CG1 4.12Å; L73-V81 PolarHBondContact N-O 2.91Å; L73-R83 HydrophobicContact CB-CB 4.22Å; L73-R83 VanDerWaalsContact CD2-CZ 3.4Å; L73-R83 VanDerWaalsContact CD2-NH2 3.29Å |
| 74 | F | 95 | Very high | 93.2 | Very high | 103 Ų | 103 | 54.8 Ų | 54.8 | 45% | 0.452 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 140 | -176.2 | -179.3 | -99.5 | 0 | 0 | 0 | 110.6 | L72 C76 L79 F80 V81 | L72-F74 WeakPolarHBondContact CD1-O 3.35Å; F74-C76 HydrophobicContact CD1-CB 4.28Å; F74-C76 HydrophobicContact CE1-CB 3.32Å; F74-C76 HydrophobicContact CZ-CB 3.49Å; F74-C76 VanDerWaalsContact CZ-CB 3.49Å; F74-L79 HydrophobicContact CE1-CD2 4.45Å; F74-F80 CarbonylContact O-C 3.51Å; F74-F80 WeakPolarHBondContact O-CA 3.32Å; F74-V81 HydrophobicContact CB-CB 3.98Å; F74-V81 HydrophobicContact CB-CG2 3.89Å; F74-V81 HydrophobicContact CD1-CG2 4.11Å; F74-V81 HydrophobicContact CG-CG2 4.46Å; F74-V81 PolarHBondContact N-O 2.94Å; F74-V81 PolarHBondContact O-N 2.94Å |
| 75 | A | 94.2 | Very high | 93.7 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 117.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A28 L72 F80 | A28-A75 HydrophobicContact CB-CB 3.88Å; L72-A75 HydrophobicContact CD1-CB 4.34Å; L72-A75 HydrophobicContact CD2-CB 4.17Å; A75-F80 HydrophobicContact CB-CD1 3.72Å; A75-F80 HydrophobicContact CB-CE1 4.1Å |
| 76 | C | 94.2 | Very high | 94.2 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 48% | 0.48 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 90.9 | 173.9 | -178 | 0 | 0 | 0 | 0 | 107.6 | F74 L79 | F74-C76 HydrophobicContact CD1-CB 4.28Å; F74-C76 HydrophobicContact CE1-CB 3.32Å; F74-C76 HydrophobicContact CZ-CB 3.49Å; F74-C76 VanDerWaalsContact CZ-CB 3.49Å; C76-L79 CarbonylContact C-O 3.56Å; C76-L79 VanDerWaalsContact C-O 3.25Å; C76-L79 PolarHBondContact N-O 3.31Å; C76-L79 CarbonylContact O-C 3.2Å; C76-L79 WeakPolarHBondContact O-CA 3.3Å; C76-L79 WeakPolarHBondContact O-CB 3.33Å; C76-L79 PolarHBondContact O-N 2.82Å |
| 77 | E | 89.4 | Confident | 94.2 | Very high | 124 Ų | 124 | 47.4 Ų | 47.4 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 126.9 | -173.4 | -47.7 | -169.6 | 169.4 | 0 | 0 | 110.6 | N27 A28 F80 | N27-E77 VanDerWaalsContact CA-OE1 3.32Å; N27-E77 WeakPolarHBondContact CA-OE1 3.35Å; N27-E77 WeakPolarHBondContact CB-OE1 3.38Å; A28-E77 PolarHBondContact N-OE1 3.42Å; E77-F80 HydrophobicContact CB-CZ 4.32Å; E77-F80 HydrophobicContact CG-CE1 3.97Å; E77-F80 HydrophobicContact CG-CZ 3.67Å |
| 78 | P | 89.4 | Confident | 94.1 | Very high | 95 Ų | 95 | 50.4 Ų | 50.4 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95.5 | 12.8 | 14.9 | 38.5 | -37.6 | 0 | 0 | 0 | 116 | ||
| 79 | L | 94.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.9 | -179.3 | 171.9 | 65.9 | 0 | 0 | 0 | 111.9 | F74 C76 Y100 I101 I102 | F74-L79 HydrophobicContact CE1-CD2 4.45Å; C76-L79 CarbonylContact C-O 3.56Å; C76-L79 VanDerWaalsContact C-O 3.25Å; C76-L79 PolarHBondContact N-O 3.31Å; C76-L79 CarbonylContact O-C 3.2Å; C76-L79 WeakPolarHBondContact O-CA 3.3Å; C76-L79 WeakPolarHBondContact O-CB 3.33Å; C76-L79 PolarHBondContact O-N 2.82Å; L79-Y100 HydrophobicContact CD1-CD1 4.25Å; L79-I101 WeakPolarHBondContact CA-O 3.45Å; L79-I102 HydrophobicContact CD1-CD1 3.7Å; L79-I102 HydrophobicContact CD1-CG1 3.41Å; L79-I102 VanDerWaalsContact CD1-CG1 3.41Å |
| 80 | F | 96.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.9 | 170.4 | -49 | -92.1 | 0 | 0 | 0 | 110.8 | I26 A28 V31 L72 F74 A75 E77 Y100 I101 | I26-F80 HydrophobicContact CG2-CD2 4.27Å; I26-F80 HydrophobicContact CG2-CE2 3.8Å; I26-F80 HydrophobicContact CG2-CZ 4.24Å; A28-F80 HydrophobicContact CB-CE1 4.41Å; V31-F80 HydrophobicContact CB-CD1 4.14Å; V31-F80 HydrophobicContact CB-CE1 4.44Å; V31-F80 HydrophobicContact CB-CG 4.23Å; V31-F80 HydrophobicContact CG1-CD1 4.01Å; V31-F80 HydrophobicContact CG1-CE1 4.48Å; V31-F80 HydrophobicContact CG1-CG 4.43Å; V31-F80 HydrophobicContact CG2-CB 3.7Å; V31-F80 HydrophobicContact CG2-CD1 4.05Å; V31-F80 HydrophobicContact CG2-CD2 3.98Å; V31-F80 HydrophobicContact CG2-CG 3.65Å; L72-F80 HydrophobicContact CD1-CB 4.33Å; F74-F80 CarbonylContact O-C 3.51Å; F74-F80 WeakPolarHBondContact O-CA 3.32Å; A75-F80 HydrophobicContact CB-CD1 3.72Å; A75-F80 HydrophobicContact CB-CE1 4.1Å; E77-F80 HydrophobicContact CB-CZ 4.32Å; E77-F80 HydrophobicContact CG-CE1 3.97Å; E77-F80 HydrophobicContact CG-CZ 3.67Å; F80-Y100 WeakPolarHBondContact O-CA 3.35Å; F80-I101 HydrophobicContact CB-CB 4.2Å; F80-I101 HydrophobicContact CD2-CB 4.38Å; F80-I101 PolarHBondContact N-O 2.96Å; F80-I101 PolarHBondContact O-N 2.84Å |
| 81 | V | 96.5 | Very high | 92.2 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 9% | 0.085 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.6 | 177.7 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | L73 F74 D98 Y99 Y100 | L73-V81 HydrophobicContact CB-CB 4.4Å; L73-V81 HydrophobicContact CB-CG1 4.32Å; L73-V81 HydrophobicContact CD2-CG1 4.12Å; L73-V81 PolarHBondContact N-O 2.91Å; F74-V81 HydrophobicContact CB-CB 3.98Å; F74-V81 HydrophobicContact CB-CG2 3.89Å; F74-V81 HydrophobicContact CD1-CG2 4.11Å; F74-V81 HydrophobicContact CG-CG2 4.46Å; F74-V81 PolarHBondContact N-O 2.94Å; F74-V81 PolarHBondContact O-N 2.94Å; V81-D98 HydrophobicContact CG1-CB 4.49Å; V81-Y99 CarbonylContact C-O 3.59Å; V81-Y99 WeakPolarHBondContact CA-O 3.38Å; V81-Y100 HydrophobicContact CG1-CD1 4.37Å; V81-Y100 HydrophobicContact CG1-CE1 4.2Å; V81-Y100 HydrophobicContact CG2-CD1 3.9Å; V81-Y100 HydrophobicContact CG2-CE1 3.99Å |
| 82 | I | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.9 | 171.5 | -57.3 | -58.5 | 0 | 0 | 0 | 108.1 | L32 F35 Y70 A71 L72 D98 Y99 I101 | L32-I82 HydrophobicContact CD1-CD1 4.23Å; F35-I82 HydrophobicContact CB-CG1 4.28Å; F35-I82 HydrophobicContact CD1-CG2 4.07Å; F35-I82 HydrophobicContact CD2-CB 4.34Å; F35-I82 HydrophobicContact CD2-CG1 4.09Å; F35-I82 HydrophobicContact CD2-CG2 4.48Å; F35-I82 HydrophobicContact CE1-CG2 4.15Å; F35-I82 HydrophobicContact CE2-CB 4.44Å; F35-I82 HydrophobicContact CE2-CG2 4.5Å; F35-I82 HydrophobicContact CG-CB 4.49Å; F35-I82 HydrophobicContact CG-CG1 4.11Å; F35-I82 HydrophobicContact CG-CG2 4.25Å; F35-I82 HydrophobicContact CZ-CG2 4.35Å; Y70-I82 HydrophobicContact CD1-CG2 4.04Å; A71-I82 CarbonylContact O-C 3.59Å; A71-I82 WeakPolarHBondContact O-CA 3.45Å; L72-I82 HydrophobicContact CB-CD1 4.07Å; L72-I82 HydrophobicContact CD1-CD1 3.67Å; L72-I82 HydrophobicContact CG-CD1 4.49Å; I82-D98 CarbonylContact O-C 3.56Å; I82-D98 WeakPolarHBondContact O-CA 3.36Å; I82-Y99 PolarHBondContact N-O 2.84Å; I82-Y99 PolarHBondContact O-N 2.83Å; I82-I101 HydrophobicContact CG1-CD1 3.92Å |
| 83 | R | 95.5 | Very high | 91.9 | Very high | 61 Ų | 61 | 65.4 Ų | 65.4 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.9 | 174.3 | 174.4 | 164.1 | -72.3 | 167.9 | 1.1 | 109.6 | Y70 A71 L73 Q85 D98 | Y70-R83 WeakPolarHBondContact CA-O 3.05Å; A71-R83 PolarHBondContact N-O 3.06Å; A71-R83 PolarHBondContact O-N 3.48Å; L73-R83 HydrophobicContact CB-CB 4.22Å; L73-R83 VanDerWaalsContact CD2-CZ 3.4Å; L73-R83 VanDerWaalsContact CD2-NH2 3.29Å; R83-Q85 HydrophobicContact CG-CB 4.2Å; R83-D98 WeakPolarHBondContact CB-OD1 3.35Å; R83-D98 WeakPolarHBondContact CG-OD1 3.49Å; R83-D98 IonicContact CZ-OD1 3.4Å; R83-D98 IonicContact CZ-OD2 3.17Å; R83-D98 IonicContact NE-OD1 3.66Å; R83-D98 PolarHBondContact NE-OD1 3.09Å; R83-D98 IonicContact NE-OD2 3.39Å; R83-D98 IonicContact NH2-OD1 2.71Å; R83-D98 PolarHBondContact NH2-OD1 3Å; R83-D98 IonicContact NH2-OD2 3.5Å; R83-D98 PolarHBondContact NH2-OD2 3.11Å |
| 84 | K | 95.6 | Very high | 92 | Very high | 33 Ų | 33 | 64.1 Ų | 64.1 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.6 | 162.5 | -178.3 | -174.1 | -178.5 | 179.1 | 0 | 108.3 | V68 E69 Y70 M96 E97 Y99 | V68-K84 HydrophobicContact CG1-CD 4.37Å; V68-K84 HydrophobicContact CG1-CG 3.75Å; E69-K84 WeakPolarHBondContact O-CA 3.25Å; Y70-K84 HydrophobicContact CD1-CB 3.92Å; Y70-K84 HydrophobicContact CD1-CG 4.36Å; Y70-K84 HydrophobicContact CE1-CB 3.68Å; Y70-K84 HydrophobicContact CE1-CD 4.06Å; Y70-K84 HydrophobicContact CE1-CG 3.86Å; Y70-K84 HydrophobicContact CE2-CG 4.49Å; K84-M96 HydrophobicContact CG-CB 4.43Å; K84-M96 HydrophobicContact CG-SD 4.4Å; K84-M96 WeakPolarHBondContact O-CB 3.33Å; K84-M96 PolarHBondContact O-N 2.81Å; K84-E97 HydrophobicContact CB-CB 4.29Å; K84-E97 HydrophobicContact CD-CB 4.38Å; K84-E97 WeakPolarHBondContact CD-OE2 3.19Å; K84-E97 PolarHBondContact N-O 2.67Å; K84-E97 IonicContact NZ-OE2 2.94Å; K84-E97 PolarHBondContact NZ-OE2 3.01Å; K84-E97 PolarHBondContact O-N 2.87Å; K84-Y99 HydrophobicContact CB-CE2 3.86Å; K84-Y99 HydrophobicContact CD-CE2 4.42Å |
| 85 | Q | 95.1 | Very high | 91.9 | Very high | 21 Ų | 21 | 63 Ų | 63 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.7 | -175.2 | 62.1 | -163.2 | 15.4 | 0 | 0 | 111.1 | V68 E69 R83 I93 T94 | V68-Q85 WeakPolarHBondContact CA-O 3.39Å; E69-Q85 HydrophobicContact CG-CG 3.46Å; E69-Q85 VanDerWaalsContact CG-CG 3.46Å; E69-Q85 PolarHBondContact N-O 3.2Å; E69-Q85 PolarHBondContact O-N 2.91Å; E69-Q85 PolarHBondContact OE1-NE2 2.76Å; R83-Q85 HydrophobicContact CG-CB 4.2Å; Q85-I93 HydrophobicContact CB-CG2 3.54Å; Q85-I93 HydrophobicContact CG-CG2 3.66Å; Q85-T94 CarbonylContact C-O 3.53Å; Q85-T94 VanDerWaalsContact CA-O 3.32Å; Q85-T94 WeakPolarHBondContact CA-O 3.45Å |
| 86 | Y | 95.2 | Very high | 91.9 | Very high | 99 Ų | 99 | 65.5 Ų | 65.5 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.6 | 173.3 | -169.7 | -90.5 | 0 | 0 | 0 | 109.3 | G67 V68 Q88 T94 | G67-Y86 WeakPolarHBondContact O-CA 3.34Å; V68-Y86 HydrophobicContact CG2-CD2 3.96Å; Y86-Q88 HydrophobicContact CD1-CG 4.03Å; Y86-Q88 HydrophobicContact CE1-CG 4.17Å; Y86-T94 PolarHBondContact N-O 3.02Å; Y86-T94 PolarHBondContact O-N 2.78Å |
| 87 | R | 91.2 | Very high | 91.8 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.7 | 173.2 | -178.6 | 177.4 | -65 | -83.7 | -5.1 | 109.8 | L62 A65 S66 G67 E69 | L62-R87 WeakPolarHBondContact O-CD 3.32Å; A65-R87 WeakPolarHBondContact O-CD 3.33Å; S66-R87 CarbonylContact C-O 3.57Å; S66-R87 WeakPolarHBondContact CA-O 3.43Å; S66-R87 WeakPolarHBondContact CB-O 3.34Å; G67-R87 PolarHBondContact N-O 3.25Å; G67-R87 PolarHBondContact O-N 2.81Å; E69-R87 IonicContact OE1-CZ 3.4Å; E69-R87 IonicContact OE1-NE 2.87Å; E69-R87 PolarHBondContact OE1-NE 2.9Å; E69-R87 IonicContact OE1-NH2 3.41Å; E69-R87 PolarHBondContact OE1-NH2 3.13Å; E69-R87 IonicContact OE2-CZ 2.79Å; E69-R87 IonicContact OE2-NE 3.29Å; E69-R87 PolarHBondContact OE2-NE 3.15Å; E69-R87 IonicContact OE2-NH2 2.88Å; E69-R87 PolarHBondContact OE2-NH2 3.17Å; E69-R87 VanDerWaalsContact OE2-NH2 3.17Å |
| 88 | Q | 90.2 | Very high | 92.1 | Very high | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 157 | 172.3 | -61.2 | -172.8 | 13.5 | 0 | 0 | 111 | Y86 N90 Q91 T92 T94 | Y86-Q88 HydrophobicContact CD1-CG 4.03Å; Y86-Q88 HydrophobicContact CE1-CG 4.17Å; Q88-N90 WeakPolarHBondContact CB-OD1 3.16Å; Q88-N90 PolarHBondContact O-N 3.12Å; Q88-N90 VanDerWaalsContact O-N 3.15Å; Q88-Q91 PolarHBondContact O-N 3.06Å; Q88-T92 WeakPolarHBondContact CB-OG1 3.5Å; Q88-T92 VanDerWaalsContact CD-OG1 3.23Å; Q88-T92 PolarHBondContact N-O 3.39Å; Q88-T92 PolarHBondContact OE1-OG1 2.79Å; Q88-T94 PolarHBondContact NE2-OG1 3.2Å |
| 89 | A | 79.9 | Confident | 92.3 | Very high | 80 Ų | 80 | 56.7 Ų | 56.7 | 66% | 0.661 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q91 | A89-Q91 PolarHBondContact O-N 2.73Š|
| 90 | N | 84 | Confident | 92.4 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 15.4 | 174.3 | 65.4 | -0.6 | 0 | 0 | 0 | 113.2 | Q88 T92 | Q88-N90 WeakPolarHBondContact CB-OD1 3.16Å; Q88-N90 PolarHBondContact O-N 3.12Å; Q88-N90 VanDerWaalsContact O-N 3.15Å; N90-T92 PolarHBondContact ND2-OG1 2.82Å; N90-T92 PolarHBondContact O-N 3.27Å; N90-T92 VanDerWaalsContact O-N 3.16Å; N90-T92 VanDerWaalsContact OD1-CB 3.32Å; N90-T92 WeakPolarHBondContact OD1-CB 3.4Å; N90-T92 WeakPolarHBondContact OD1-CG2 3.24Å; N90-T92 PolarHBondContact OD1-N 2.77Å; N90-T92 PolarHBondContact OD1-OG1 2.82Å |
| 91 | Q | 80 | Confident | 92.3 | Very high | 125 Ų | 125 | 57.9 Ų | 57.9 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 63.3 | 10.9 | -176 | -53.6 | -174.4 | -13.1 | 0 | 0 | 115.4 | Q88 A89 | Q88-Q91 PolarHBondContact O-N 3.06Å; A89-Q91 PolarHBondContact O-N 2.73Å |
| 92 | T | 91.3 | Very high | 92.1 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | trans | -78.4 | 145.6 | 170.6 | 67 | 0 | 0 | 0 | 0 | 110.5 | Q88 N90 | Q88-T92 WeakPolarHBondContact CB-OG1 3.5Å; Q88-T92 VanDerWaalsContact CD-OG1 3.23Å; Q88-T92 PolarHBondContact N-O 3.39Å; Q88-T92 PolarHBondContact OE1-OG1 2.79Å; N90-T92 PolarHBondContact ND2-OG1 2.82Å; N90-T92 PolarHBondContact O-N 3.27Å; N90-T92 VanDerWaalsContact O-N 3.16Å; N90-T92 VanDerWaalsContact OD1-CB 3.32Å; N90-T92 WeakPolarHBondContact OD1-CB 3.4Å; N90-T92 WeakPolarHBondContact OD1-CG2 3.24Å; N90-T92 PolarHBondContact OD1-N 2.77Å; N90-T92 PolarHBondContact OD1-OG1 2.82Å | ||
| 93 | I | 92.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 40% | 0.395 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.8 | -176.3 | -62 | 174.5 | 0 | 0 | 0 | 107.7 | Q85 | Q85-I93 HydrophobicContact CB-CG2 3.54Å; Q85-I93 HydrophobicContact CG-CG2 3.66Å |
| 94 | T | 94.5 | Very high | 91.6 | Very high | 59 Ų | 59 | 60.4 Ų | 60.4 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 110.8 | 173.7 | -52.9 | 0 | 0 | 0 | 0 | 108.7 | Q85 Y86 Q88 M96 | Q85-T94 CarbonylContact C-O 3.53Å; Q85-T94 VanDerWaalsContact CA-O 3.32Å; Q85-T94 WeakPolarHBondContact CA-O 3.45Å; Y86-T94 PolarHBondContact N-O 3.02Å; Y86-T94 PolarHBondContact O-N 2.78Å; Q88-T94 PolarHBondContact NE2-OG1 3.2Å; T94-M96 PolarHBondContact O-N 2.91Å |
| 95 | P | 94 | Very high | 91.5 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 134.4 | 174.6 | 28.8 | -33.7 | 0 | 0 | 0 | 109 | ||
| 96 | M | 93.2 | Very high | 91.5 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 47% | 0.468 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -60.6 | 179.5 | -60.1 | 177.3 | 70.2 | 0 | 0 | 110.3 | V68 K84 T94 | V68-M96 HydrophobicContact CG2-SD 4.17Å; K84-M96 HydrophobicContact CG-CB 4.43Å; K84-M96 HydrophobicContact CG-SD 4.4Å; K84-M96 WeakPolarHBondContact O-CB 3.33Å; K84-M96 PolarHBondContact O-N 2.81Å; T94-M96 PolarHBondContact O-N 2.91Å |
| 97 | E | 93.1 | Very high | 91.5 | Very high | 65 Ų | 65 | 58 Ų | 58 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 146.5 | -172 | -61.5 | 172 | 144.6 | 0 | 0 | 109.5 | K84 Y99 Q108 | K84-E97 HydrophobicContact CB-CB 4.29Å; K84-E97 HydrophobicContact CD-CB 4.38Å; K84-E97 WeakPolarHBondContact CD-OE2 3.19Å; K84-E97 PolarHBondContact N-O 2.67Å; K84-E97 IonicContact NZ-OE2 2.94Å; K84-E97 PolarHBondContact NZ-OE2 3.01Å; K84-E97 PolarHBondContact O-N 2.87Å; E97-Y99 HydrophobicContact CB-CE2 3.85Å; E97-Y99 PolarHBondContact OE2-OH 2.8Å; E97-Q108 PolarHBondContact OE1-NE2 3.34Å |
| 98 | D | 94.4 | Very high | 91.5 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 148.2 | 175.6 | -70.8 | -19.5 | 0 | 0 | 0 | 109.7 | V81 I82 R83 A109 | V81-D98 HydrophobicContact CG1-CB 4.49Å; I82-D98 CarbonylContact O-C 3.56Å; I82-D98 WeakPolarHBondContact O-CA 3.36Å; R83-D98 WeakPolarHBondContact CB-OD1 3.35Å; R83-D98 WeakPolarHBondContact CG-OD1 3.49Å; R83-D98 IonicContact CZ-OD1 3.4Å; R83-D98 IonicContact CZ-OD2 3.17Å; R83-D98 IonicContact NE-OD1 3.66Å; R83-D98 PolarHBondContact NE-OD1 3.09Å; R83-D98 IonicContact NE-OD2 3.39Å; R83-D98 IonicContact NH2-OD1 2.71Å; R83-D98 PolarHBondContact NH2-OD1 3Å; R83-D98 IonicContact NH2-OD2 3.5Å; R83-D98 PolarHBondContact NH2-OD2 3.11Å; D98-A109 HydrophobicContact CB-CB 3.81Å; D98-A109 WeakPolarHBondContact O-CB 3.43Å; D98-A109 PolarHBondContact O-N 2.53Å |
| 99 | Y | 95.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.2 | -177.4 | -59.9 | -86.4 | 0 | 0 | 0 | 109.8 | F35 F42 Y70 V81 I82 K84 E97 Y107 Q108 | F35-Y99 HydrophobicContact CE2-CD1 4.27Å; F35-Y99 HydrophobicContact CE2-CD2 4.26Å; F35-Y99 AromaticContact CE2-CG 3.84Å; F35-Y99 HydrophobicContact CE2-CG 3.84Å; F35-Y99 HydrophobicContact CZ-CD1 4.3Å; F35-Y99 AromaticContact CZ-CD2 3.87Å; F35-Y99 HydrophobicContact CZ-CD2 3.87Å; F35-Y99 HydrophobicContact CZ-CE2 4.31Å; F35-Y99 AromaticContact CZ-CG 3.87Å; F35-Y99 HydrophobicContact CZ-CG 3.87Å; F42-Y99 HydrophobicContact CB-CD1 3.92Å; F42-Y99 HydrophobicContact CB-CE1 3.49Å; F42-Y99 VanDerWaalsContact CB-CE1 3.49Å; F42-Y99 HydrophobicContact CD1-CD1 4.22Å; F42-Y99 AromaticContact CD1-CE1 3.62Å; F42-Y99 HydrophobicContact CD1-CE1 3.62Å; F42-Y99 HydrophobicContact CD2-CD1 4.33Å; F42-Y99 HydrophobicContact CD2-CE1 4.45Å; F42-Y99 HydrophobicContact CE1-CE1 4.47Å; F42-Y99 AromaticContact CG-CD1 3.9Å; F42-Y99 HydrophobicContact CG-CD1 3.9Å; F42-Y99 AromaticContact CG-CE1 3.61Å; F42-Y99 HydrophobicContact CG-CE1 3.61Å; Y70-Y99 HydrophobicContact CE1-CE2 4.05Å; V81-Y99 CarbonylContact C-O 3.59Å; V81-Y99 WeakPolarHBondContact CA-O 3.38Å; I82-Y99 PolarHBondContact N-O 2.84Å; I82-Y99 PolarHBondContact O-N 2.83Å; K84-Y99 HydrophobicContact CB-CE2 3.86Å; K84-Y99 HydrophobicContact CD-CE2 4.42Å; E97-Y99 HydrophobicContact CB-CE2 3.85Å; E97-Y99 PolarHBondContact OE2-OH 2.8Å; Y99-Y107 CarbonylContact C-O 3.56Å; Y99-Y107 VanDerWaalsContact CA-O 3.24Å; Y99-Y107 WeakPolarHBondContact CA-O 3.48Å; Y99-Q108 HydrophobicContact CD1-CB 4.08Å; Y99-Q108 HydrophobicContact CD1-CG 4.17Å; Y99-Q108 HydrophobicContact CE1-CB 4.01Å; Y99-Q108 HydrophobicContact CE1-CG 3.8Å |
| 100 | Y | 94.7 | Very high | 92 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.8 | 176.7 | -58 | -61.5 | 0 | 0 | 0 | 110.2 | L79 F80 V81 V106 Y107 A109 | L79-Y100 HydrophobicContact CD1-CD1 4.25Å; F80-Y100 WeakPolarHBondContact O-CA 3.35Å; V81-Y100 HydrophobicContact CG1-CD1 4.37Å; V81-Y100 HydrophobicContact CG1-CE1 4.2Å; V81-Y100 HydrophobicContact CG2-CD1 3.9Å; V81-Y100 HydrophobicContact CG2-CE1 3.99Å; Y100-V106 CarbonylContact O-C 3.25Å; Y100-V106 WeakPolarHBondContact O-CA 2.96Å; Y100-Y107 PolarHBondContact N-O 3.21Å; Y100-Y107 PolarHBondContact O-N 2.99Å; Y100-A109 HydrophobicContact CD2-CB 3.83Å; Y100-A109 HydrophobicContact CE2-CB 3.18Å |
| 101 | I | 95 | Very high | 92.2 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 113.2 | 171.5 | -46.1 | -171.9 | 0 | 0 | 0 | 107.2 | V31 Y34 F35 L79 F80 I82 T105 V106 | V31-I101 HydrophobicContact CG2-CD1 3.64Å; Y34-I101 HydrophobicContact CD1-CD1 4.22Å; Y34-I101 HydrophobicContact CD1-CG2 4.49Å; Y34-I101 HydrophobicContact CE1-CD1 4.38Å; Y34-I101 HydrophobicContact CE1-CG2 3.99Å; F35-I101 HydrophobicContact CB-CD1 4.15Å; F35-I101 HydrophobicContact CD2-CD1 3.91Å; F35-I101 HydrophobicContact CG-CD1 4.49Å; L79-I101 WeakPolarHBondContact CA-O 3.45Å; F80-I101 HydrophobicContact CB-CB 4.2Å; F80-I101 HydrophobicContact CD2-CB 4.38Å; F80-I101 PolarHBondContact N-O 2.96Å; F80-I101 PolarHBondContact O-N 2.84Å; I82-I101 HydrophobicContact CG1-CD1 3.92Å; I101-T105 WeakPolarHBondContact CA-O 3.19Å; I101-V106 HydrophobicContact CD1-CG2 4.07Å; I101-V106 HydrophobicContact CG1-CG1 4.42Å; I101-V106 HydrophobicContact CG1-CG2 3.95Å; I101-V106 HydrophobicContact CG2-CG2 4.2Å |
| 102 | I | 92.8 | Very high | 92.5 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 42% | 0.415 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 125.5 | -178.2 | -55.8 | 173.9 | 0 | 0 | 0 | 107.9 | L79 G104 T105 | L79-I102 HydrophobicContact CD1-CD1 3.7Å; L79-I102 HydrophobicContact CD1-CG1 3.41Å; L79-I102 VanDerWaalsContact CD1-CG1 3.41Å; I102-G104 PolarHBondContact O-N 2.94Å; I102-T105 PolarHBondContact N-O 3.21Å; I102-T105 PolarHBondContact O-N 3.33Å |
| 103 | G | 90.7 | Very high | 92.5 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 31.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P23 T105 | P23-G103 WeakPolarHBondContact CG-O 3.43Å; G103-T105 PolarHBondContact O-N 2.99Å |
| 104 | G | 90.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 14 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y34 I102 | Y34-G104 PolarHBondContact OH-O 3.37Å; I102-G104 PolarHBondContact O-N 2.94Å |
| 105 | T | 93.7 | Very high | 92.2 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.6 | 168.3 | -57 | 0 | 0 | 0 | 0 | 109.7 | Q16 W17 N18 I101 I102 G103 Y107 | Q16-T105 HydrophobicContact CB-CG2 4.04Å; Q16-T105 HydrophobicContact CG-CG2 4.47Å; W17-T105 WeakPolarHBondContact O-CA 3.42Å; N18-T105 HydrophobicContact CB-CG2 3.97Å; N18-T105 VanDerWaalsContact CG-OG1 3.27Å; N18-T105 PolarHBondContact OD1-OG1 2.83Å; N18-T105 VanDerWaalsContact OD1-OG1 3.11Å; I101-T105 WeakPolarHBondContact CA-O 3.19Å; I102-T105 PolarHBondContact N-O 3.21Å; I102-T105 PolarHBondContact O-N 3.33Å; G103-T105 PolarHBondContact O-N 2.99Å; T105-Y107 HydrophobicContact CG2-CD2 4.18Å; T105-Y107 HydrophobicContact CG2-CE1 3.94Å; T105-Y107 HydrophobicContact CG2-CE2 3.49Å; T105-Y107 VanDerWaalsContact CG2-CE2 3.49Å; T105-Y107 WeakPolarHBondContact CG2-OH 3.37Å |
| 106 | V | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.7 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | Q16 W17 Y34 F35 F42 Y100 I101 | Q16-V106 WeakPolarHBondContact CA-O 3.21Å; W17-V106 HydrophobicContact CB-CB 4.29Å; W17-V106 HydrophobicContact CE3-CB 4.2Å; W17-V106 HydrophobicContact CE3-CG2 3.59Å; W17-V106 HydrophobicContact CZ3-CG2 4.11Å; W17-V106 PolarHBondContact N-O 3.33Å; W17-V106 PolarHBondContact O-N 3.12Å; Y34-V106 HydrophobicContact CE1-CG2 3.87Å; F35-V106 HydrophobicContact CD2-CG1 3.92Å; F35-V106 HydrophobicContact CD2-CG2 4.43Å; F35-V106 HydrophobicContact CE2-CG1 3.62Å; F42-V106 HydrophobicContact CD2-CB 4.33Å; F42-V106 HydrophobicContact CD2-CG1 3.68Å; F42-V106 HydrophobicContact CE2-CB 4.42Å; F42-V106 HydrophobicContact CE2-CG1 4.07Å; Y100-V106 CarbonylContact O-C 3.25Å; Y100-V106 WeakPolarHBondContact O-CA 2.96Å; I101-V106 HydrophobicContact CD1-CG2 4.07Å; I101-V106 HydrophobicContact CG1-CG1 4.42Å; I101-V106 HydrophobicContact CG1-CG2 3.95Å; I101-V106 HydrophobicContact CG2-CG2 4.2Å |
| 107 | Y | 94.1 | Very high | 92.3 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 35% | 0.349 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143 | 178.3 | -58 | -89.1 | 0 | 0 | 0 | 109.7 | Q16 Y99 Y100 T105 | Q16-Y107 HydrophobicContact CB-CD1 3.94Å; Q16-Y107 HydrophobicContact CB-CE1 3.94Å; Q16-Y107 PolarHBondContact OE1-OH 3.47Å; Y99-Y107 CarbonylContact C-O 3.56Å; Y99-Y107 VanDerWaalsContact CA-O 3.24Å; Y99-Y107 WeakPolarHBondContact CA-O 3.48Å; Y100-Y107 PolarHBondContact N-O 3.21Å; Y100-Y107 PolarHBondContact O-N 2.99Å; T105-Y107 HydrophobicContact CG2-CD2 4.18Å; T105-Y107 HydrophobicContact CG2-CE1 3.94Å; T105-Y107 HydrophobicContact CG2-CE2 3.49Å; T105-Y107 VanDerWaalsContact CG2-CE2 3.49Å; T105-Y107 WeakPolarHBondContact CG2-OH 3.37Å |
| 108 | Q | 92.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 52 Ų | 52 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 132.3 | 166.9 | -171 | 173.4 | 22.6 | 0 | 0 | 110.1 | L13 F42 E97 Y99 | L13-Q108 HydrophobicContact CD2-CB 4.34Å; L13-Q108 HydrophobicContact CD2-CG 4.28Å; F42-Q108 HydrophobicContact CE1-CB 4.06Å; F42-Q108 HydrophobicContact CZ-CB 4.45Å; E97-Q108 PolarHBondContact OE1-NE2 3.34Å; Y99-Q108 HydrophobicContact CD1-CB 4.08Å; Y99-Q108 HydrophobicContact CD1-CG 4.17Å; Y99-Q108 HydrophobicContact CE1-CB 4.01Å; Y99-Q108 HydrophobicContact CE1-CG 3.8Å |
| 109 | A | 89.7 | Confident | 92.4 | Very high | 14 Ų | 14 | 58.2 Ų | 58.2 | 12% | 0.116 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 133.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | D98 Y100 | D98-A109 HydrophobicContact CB-CB 3.81Å; D98-A109 WeakPolarHBondContact O-CB 3.43Å; D98-A109 PolarHBondContact O-N 2.53Å; Y100-A109 HydrophobicContact CD2-CB 3.83Å; Y100-A109 HydrophobicContact CE2-CB 3.18Å |
| 110 | P | 89.5 | Confident | 92.5 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 147.9 | 169.3 | 29.4 | -34.9 | 0 | 0 | 0 | 110.4 | L13 V115 | L13-P110 HydrophobicContact CD1-CB 3.85Å; L13-P110 HydrophobicContact CD2-CB 4.07Å; P110-V115 HydrophobicContact CB-CG2 3.8Å; P110-V115 HydrophobicContact CG-CG2 3.45Å; P110-V115 VanDerWaalsContact CG-CG2 3.45Å |
| 111 | D | 87.9 | Confident | 92.6 | Very high | 84 Ų | 84 | 64.4 Ų | 64.4 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 146.2 | 169 | 64.6 | -55.4 | 0 | 0 | 0 | 110.3 | C113 S114 V115 | D111-C113 PolarHBondContact O-N 3.01Å; D111-C113 VanDerWaalsContact O-N 3.16Å; D111-C113 WeakPolarHBondContact OD2-CB 3.35Å; D111-S114 VanDerWaalsContact CG-OG 3.23Å; D111-S114 PolarHBondContact O-N 3.13Å; D111-S114 VanDerWaalsContact O-N 3.13Å; D111-S114 WeakPolarHBondContact OD1-CB 3.36Å; D111-S114 PolarHBondContact OD1-OG 2.86Å; D111-S114 PolarHBondContact OD2-N 3.13Å; D111-S114 PolarHBondContact OD2-OG 3.3Å; D111-V115 PolarHBondContact O-N 3.16Å; D111-V115 VanDerWaalsContact O-N 3.13Å |
| 112 | L | 88 | Confident | 92.7 | Very high | 127 Ų | 127 | 66.4 Ų | 66.4 | 67% | 0.665 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -56.4 | -35.5 | -179 | 179.7 | 60.9 | 0 | 0 | 0 | 111.8 | V115 L116 | L112-V115 PolarHBondContact O-N 3.42Å; L112-L116 HydrophobicContact CD1-CD1 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.18Å; L112-L116 HydrophobicContact CG-CD1 4.05Å; L112-L116 HydrophobicContact CG-CG 4.39Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 2.74Å |
| 113 | C | 91.3 | Very high | 92.9 | Very high | 72 Ų | 72 | 65.9 Ų | 65.9 | 49% | 0.486 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 178.9 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | D111 V115 L116 N117 | D111-C113 PolarHBondContact O-N 3.01Å; D111-C113 VanDerWaalsContact O-N 3.16Å; D111-C113 WeakPolarHBondContact OD2-CB 3.35Å; C113-V115 VanDerWaalsContact C-N 3.34Å; C113-V115 PolarHBondContact O-N 2.84Å; C113-L116 PolarHBondContact O-N 3.35Å; C113-N117 VanDerWaalsContact O-CB 3.32Å; C113-N117 WeakPolarHBondContact O-CB 3.33Å; C113-N117 PolarHBondContact O-N 3.25Å; C113-N117 PolarHBondContact O-ND2 3.46Å; C113-N117 PolarHBondContact SG-ND2 3.47Å |
| 114 | S | 88.8 | Confident | 93.3 | Very high | 53 Ų | 53 | 67.5 Ų | 67.5 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 174.8 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | D111 S118 | D111-S114 VanDerWaalsContact CG-OG 3.23Å; D111-S114 PolarHBondContact O-N 3.13Å; D111-S114 VanDerWaalsContact O-N 3.13Å; D111-S114 WeakPolarHBondContact OD1-CB 3.36Å; D111-S114 PolarHBondContact OD1-OG 2.86Å; D111-S114 PolarHBondContact OD2-N 3.13Å; D111-S114 PolarHBondContact OD2-OG 3.3Å; S114-S118 WeakPolarHBondContact O-CB 3.32Å; S114-S118 PolarHBondContact O-N 2.96Å; S114-S118 PolarHBondContact O-OG 3.01Å |
| 115 | V | 91 | Very high | 93.6 | Very high | 48 Ų | 48 | 72.8 Ų | 72.8 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.1 | -50.1 | 176 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | P110 D111 L112 C113 N117 S118 R119 | P110-V115 HydrophobicContact CB-CG2 3.8Å; P110-V115 HydrophobicContact CG-CG2 3.45Å; P110-V115 VanDerWaalsContact CG-CG2 3.45Å; D111-V115 PolarHBondContact O-N 3.16Å; D111-V115 VanDerWaalsContact O-N 3.13Å; L112-V115 PolarHBondContact O-N 3.42Å; C113-V115 VanDerWaalsContact C-N 3.34Å; C113-V115 PolarHBondContact O-N 2.84Å; V115-N117 PolarHBondContact O-N 3.5Å; V115-S118 PolarHBondContact O-N 2.86Å; V115-S118 PolarHBondContact O-OG 2.89Å; V115-R119 HydrophobicContact CG1-CG 4.33Å; V115-R119 WeakPolarHBondContact O-CB 3.45Å; V115-R119 WeakPolarHBondContact O-CG 3.5Å; V115-R119 PolarHBondContact O-N 3.06Å |
| 116 | L | 95.6 | Very high | 93.8 | Very high | 104 Ų | 104 | 78.8 Ų | 78.8 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 179.7 | -70.4 | 175.9 | 0 | 0 | 0 | 112.2 | L112 C113 S118 R119 L120 | L112-L116 HydrophobicContact CD1-CD1 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.18Å; L112-L116 HydrophobicContact CG-CD1 4.05Å; L112-L116 HydrophobicContact CG-CG 4.39Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.32Å; L112-L116 PolarHBondContact O-N 2.74Å; C113-L116 PolarHBondContact O-N 3.35Å; L116-S118 PolarHBondContact O-N 3.36Å; L116-R119 PolarHBondContact O-N 3.37Å; L116-L120 VanDerWaalsContact O-CB 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.16Å; L116-L120 PolarHBondContact O-N 2.95Å |
| 117 | N | 94.8 | Very high | 94 | Very high | 91 Ų | 91 | 83.5 Ų | 83.5 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 179.3 | -72.8 | -23.4 | 0 | 0 | 0 | 111.4 | C113 V115 R119 L120 Q121 | C113-N117 VanDerWaalsContact O-CB 3.32Å; C113-N117 WeakPolarHBondContact O-CB 3.33Å; C113-N117 PolarHBondContact O-N 3.25Å; C113-N117 PolarHBondContact O-ND2 3.46Å; C113-N117 PolarHBondContact SG-ND2 3.47Å; V115-N117 PolarHBondContact O-N 3.5Å; N117-R119 PolarHBondContact O-N 3.43Å; N117-L120 PolarHBondContact O-N 2.91Å; N117-Q121 WeakPolarHBondContact O-CB 3.46Å; N117-Q121 WeakPolarHBondContact O-CG 3.17Å; N117-Q121 PolarHBondContact O-N 3.42Å |
| 118 | S | 93.5 | Very high | 94.1 | Very high | 61 Ų | 61 | 87.2 Ų | 87.2 | 43% | 0.427 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | S114 V115 L116 A122 | S114-S118 WeakPolarHBondContact O-CB 3.32Å; S114-S118 PolarHBondContact O-N 2.96Å; S114-S118 PolarHBondContact O-OG 3.01Å; V115-S118 PolarHBondContact O-N 2.86Å; V115-S118 PolarHBondContact O-OG 2.89Å; L116-S118 PolarHBondContact O-N 3.36Å; S118-A122 WeakPolarHBondContact O-CB 3.24Å; S118-A122 PolarHBondContact O-N 3.04Å |
| 119 | R | 94.6 | Very high | 94.3 | Very high | 169 Ų | 169 | 88.3 Ų | 88.3 | 64% | 0.638 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.7 | -45 | 177.3 | -66 | -69.4 | -177.7 | -112.4 | -0.3 | 111.7 | V115 L116 N117 A122 S123 | V115-R119 HydrophobicContact CG1-CG 4.33Å; V115-R119 WeakPolarHBondContact O-CB 3.45Å; V115-R119 WeakPolarHBondContact O-CG 3.5Å; V115-R119 PolarHBondContact O-N 3.06Å; L116-R119 PolarHBondContact O-N 3.37Å; N117-R119 PolarHBondContact O-N 3.43Å; R119-A122 PolarHBondContact O-N 3.3Å; R119-S123 PolarHBondContact O-N 3.47Å; R119-S123 PolarHBondContact O-OG 3.09Å; R119-S123 VanDerWaalsContact O-OG 3.09Å |
| 120 | L | 97.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 90 Ų | 90 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 178.1 | -176.9 | 152.7 | 0 | 0 | 0 | 111.4 | L116 N117 S123 I124 | L116-L120 VanDerWaalsContact O-CB 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.16Å; L116-L120 PolarHBondContact O-N 2.95Å; N117-L120 PolarHBondContact O-N 2.91Å; L120-S123 PolarHBondContact O-N 3.38Å; L120-I124 HydrophobicContact CD2-CD1 3.41Å; L120-I124 VanDerWaalsContact CD2-CD1 3.41Å; L120-I124 HydrophobicContact CD2-CG1 4.22Å; L120-I124 HydrophobicContact CG-CD1 4.32Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.28Å |
| 121 | Q | 97.8 | Very high | 95 | Very high | 126 Ų | 126 | 94.6 Ų | 94.6 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -47.1 | 174.9 | -73.8 | -70.7 | -28.5 | 0 | 0 | 111.3 | N117 S123 I124 E125 | N117-Q121 WeakPolarHBondContact O-CB 3.46Å; N117-Q121 WeakPolarHBondContact O-CG 3.17Å; N117-Q121 PolarHBondContact O-N 3.42Å; Q121-S123 PolarHBondContact O-N 2.91Å; Q121-I124 PolarHBondContact O-N 2.89Å; Q121-E125 WeakPolarHBondContact O-CB 3.48Å; Q121-E125 PolarHBondContact O-N 2.93Å |
| 122 | A | 97.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 97.7 Ų | 97.7 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S118 R119 I124 E125 H126 | S118-A122 WeakPolarHBondContact O-CB 3.24Å; S118-A122 PolarHBondContact O-N 3.04Å; R119-A122 PolarHBondContact O-N 3.3Å; A122-I124 PolarHBondContact O-N 3.42Å; A122-E125 PolarHBondContact O-N 3.01Å; A122-H126 PolarHBondContact O-CD2 2.92Å; A122-H126 PolarHBondContact O-N 3.32Å |
| 123 | S | 97.2 | Very high | 95.6 | Very high | 69 Ų | 69 | 98.6 Ų | 98.6 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.1 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | R119 L120 Q121 H126 L127 | R119-S123 PolarHBondContact O-N 3.47Å; R119-S123 PolarHBondContact O-OG 3.09Å; R119-S123 VanDerWaalsContact O-OG 3.09Å; L120-S123 PolarHBondContact O-N 3.38Å; Q121-S123 PolarHBondContact O-N 2.91Å; S123-H126 PolarHBondContact O-N 3.47Å; S123-L127 VanDerWaalsContact O-CG 3.31Å; S123-L127 WeakPolarHBondContact O-CG 3.29Å; S123-L127 PolarHBondContact O-N 3.3Å |
| 124 | I | 98 | Very high | 95.8 | Very high | 76 Ų | 76 | 98 Ų | 98 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 176.7 | -70.4 | 177.3 | 0 | 0 | 0 | 110.7 | L120 Q121 A122 H126 L127 R128 | L120-I124 HydrophobicContact CD2-CD1 3.41Å; L120-I124 VanDerWaalsContact CD2-CD1 3.41Å; L120-I124 HydrophobicContact CD2-CG1 4.22Å; L120-I124 HydrophobicContact CG-CD1 4.32Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.28Å; Q121-I124 PolarHBondContact O-N 2.89Å; A122-I124 PolarHBondContact O-N 3.42Å; I124-H126 VanDerWaalsContact C-N 3.35Å; I124-H126 PolarHBondContact O-N 2.86Å; I124-L127 PolarHBondContact O-N 3.21Å; I124-R128 HydrophobicContact CG2-CG 4.26Å; I124-R128 VanDerWaalsContact O-CG 3.29Å; I124-R128 WeakPolarHBondContact O-CG 3.31Å; I124-R128 PolarHBondContact O-N 3.48Å |
| 125 | E | 98 | Very high | 95.9 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -44 | 178.3 | -172.6 | 57.4 | -155.4 | 0 | 0 | 111.5 | Q121 A122 L127 R128 A129 | Q121-E125 WeakPolarHBondContact O-CB 3.48Å; Q121-E125 PolarHBondContact O-N 2.93Å; A122-E125 PolarHBondContact O-N 3.01Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.2Å; E125-R128 PolarHBondContact O-N 2.88Å; E125-A129 WeakPolarHBondContact O-CB 3.41Å; E125-A129 PolarHBondContact O-N 3.42Å |
| 126 | H | 97.8 | Very high | 95.9 | Very high | 137 Ų | 137 | 101.7 Ų | 101.7 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 174.5 | -70.7 | -48.5 | 0 | 0 | 0 | 112.8 | A122 S123 I124 A130 | A122-H126 PolarHBondContact O-CD2 2.92Å; A122-H126 PolarHBondContact O-N 3.32Å; S123-H126 PolarHBondContact O-N 3.47Å; I124-H126 VanDerWaalsContact C-N 3.35Å; I124-H126 PolarHBondContact O-N 2.86Å; H126-A130 VanDerWaalsContact O-CB 3.28Å; H126-A130 WeakPolarHBondContact O-CB 3.39Å; H126-A130 PolarHBondContact O-N 3.43Å |
| 127 | L | 98 | Very high | 95.5 | Very high | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 175.3 | -72.3 | 173.8 | 0 | 0 | 0 | 111.9 | S123 I124 E125 A130 F131 | S123-L127 VanDerWaalsContact O-CG 3.31Å; S123-L127 WeakPolarHBondContact O-CG 3.29Å; S123-L127 PolarHBondContact O-N 3.3Å; I124-L127 PolarHBondContact O-N 3.21Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.2Å; L127-A130 PolarHBondContact O-N 3.31Å; L127-F131 HydrophobicContact CB-CE2 4.48Å; L127-F131 WeakPolarHBondContact O-CD2 3.44Å; L127-F131 WeakPolarHBondContact O-CG 3.42Å; L127-F131 PolarHBondContact O-N 2.89Å |
| 128 | R | 96.8 | Very high | 95 | Very high | 167 Ų | 167 | 103.5 Ų | 103.5 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | 176.1 | -72.3 | 173.2 | 67.9 | 121.8 | 4.6 | 111 | I124 E125 A130 F131 E132 | I124-R128 HydrophobicContact CG2-CG 4.26Å; I124-R128 VanDerWaalsContact O-CG 3.29Å; I124-R128 WeakPolarHBondContact O-CG 3.31Å; I124-R128 PolarHBondContact O-N 3.48Å; E125-R128 PolarHBondContact O-N 2.88Å; R128-A130 PolarHBondContact O-N 3.25Å; R128-F131 PolarHBondContact O-N 3.46Å; R128-E132 WeakPolarHBondContact O-CB 3.28Å; R128-E132 PolarHBondContact O-N 2.95Å |
| 129 | A | 97.2 | Very high | 94.5 | Very high | 45 Ų | 45 | 107.9 Ų | 107.9 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E125 F131 E132 E133 | E125-A129 WeakPolarHBondContact O-CB 3.41Å; E125-A129 PolarHBondContact O-N 3.42Å; A129-F131 PolarHBondContact O-N 3.28Å; A129-E132 PolarHBondContact O-N 2.91Å; A129-E133 WeakPolarHBondContact O-CB 3.17Å; A129-E133 PolarHBondContact O-N 2.98Å |
| 130 | A | 96.5 | Very high | 93.6 | Very high | 51 Ų | 51 | 104.7 Ų | 104.7 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H126 L127 R128 A134 | H126-A130 VanDerWaalsContact O-CB 3.28Å; H126-A130 WeakPolarHBondContact O-CB 3.39Å; H126-A130 PolarHBondContact O-N 3.43Å; L127-A130 PolarHBondContact O-N 3.31Å; R128-A130 PolarHBondContact O-N 3.25Å; A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 2.93Å |
| 131 | F | 96.7 | Very high | 92.5 | Very high | 151 Ų | 151 | 104 Ų | 104 | 66% | 0.662 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.5 | -36.5 | 175.9 | -70.5 | -41.5 | 0 | 0 | 0 | 112.9 | L127 R128 A129 A134 A135 | L127-F131 HydrophobicContact CB-CE2 4.48Å; L127-F131 WeakPolarHBondContact O-CD2 3.44Å; L127-F131 WeakPolarHBondContact O-CG 3.42Å; L127-F131 PolarHBondContact O-N 2.89Å; R128-F131 PolarHBondContact O-N 3.46Å; A129-F131 PolarHBondContact O-N 3.28Å; F131-A134 PolarHBondContact O-N 2.87Å; F131-A135 VanDerWaalsContact O-CB 3.28Å; F131-A135 WeakPolarHBondContact O-CB 3.15Å; F131-A135 PolarHBondContact O-N 3.25Å |
| 132 | E | 95.7 | Very high | 91.5 | Very high | 149 Ų | 149 | 102 Ų | 102 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 175.1 | -175.5 | 171.5 | -177.2 | 0 | 0 | 111.4 | R128 A129 A135 K136 | R128-E132 WeakPolarHBondContact O-CB 3.28Å; R128-E132 PolarHBondContact O-N 2.95Å; A129-E132 PolarHBondContact O-N 2.91Å; E132-A135 PolarHBondContact O-N 3.47Å; E132-K136 WeakPolarHBondContact O-CB 3.28Å; E132-K136 PolarHBondContact O-N 2.89Å |
| 133 | E | 94 | Very high | 90.3 | Very high | 146 Ų | 146 | 102.9 Ų | 102.9 | 68% | 0.682 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 175.5 | -171.2 | -179 | 173.2 | 0 | 0 | 111.6 | A129 A135 K136 K137 | A129-E133 WeakPolarHBondContact O-CB 3.17Å; A129-E133 PolarHBondContact O-N 2.98Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 3.31Å; E133-K136 PolarHBondContact O-N 3.43Å; E133-K137 WeakPolarHBondContact O-CB 3.41Å; E133-K137 PolarHBondContact O-N 3.39Å |
| 134 | A | 93.8 | Very high | 89 | Confident | 59 Ų | 59 | 106 Ų | 106 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A130 F131 N138 | A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 2.93Å; F131-A134 PolarHBondContact O-N 2.87Å; A134-N138 WeakPolarHBondContact O-CB 3.46Å; A134-N138 PolarHBondContact O-N 2.91Å |
| 135 | A | 92 | Very high | 87.9 | Confident | 50 Ų | 50 | 108.1 Ų | 108.1 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F131 E132 E133 K139 | F131-A135 VanDerWaalsContact O-CB 3.28Å; F131-A135 WeakPolarHBondContact O-CB 3.15Å; F131-A135 PolarHBondContact O-N 3.25Å; E132-A135 PolarHBondContact O-N 3.47Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 3.31Å; A135-K139 WeakPolarHBondContact O-CG 3.23Å; A135-K139 PolarHBondContact O-N 3.33Å |
| 136 | K | 91.4 | Very high | 86.9 | Confident | 129 Ų | 129 | 106.4 Ų | 106.4 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.1 | -48.4 | 175.6 | -173.9 | -176.6 | 177.3 | -166.9 | 0 | 111.4 | E132 E133 N138 K139 E140 | E132-K136 WeakPolarHBondContact O-CB 3.28Å; E132-K136 PolarHBondContact O-N 2.89Å; E133-K136 PolarHBondContact O-N 3.43Å; K136-N138 VanDerWaalsContact C-N 3.27Å; K136-N138 PolarHBondContact O-N 3.19Å; K136-K139 WeakPolarHBondContact O-CB 3.49Å; K136-K139 PolarHBondContact O-N 3.06Å; K136-E140 WeakPolarHBondContact CE-OE1 3.48Å; K136-E140 IonicContact NZ-OE1 2.79Å; K136-E140 PolarHBondContact O-N 2.91Å |
| 137 | K | 86.9 | Confident | 85.8 | Confident | 130 Ų | 130 | 107 Ų | 107 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.4 | -37.6 | 177.8 | -173.3 | 173.8 | -178.1 | 175.2 | 0 | 112 | E133 E140 N141 | E133-K137 WeakPolarHBondContact O-CB 3.41Å; E133-K137 PolarHBondContact O-N 3.39Å; K137-E140 PolarHBondContact O-N 3.38Å; K137-N141 WeakPolarHBondContact O-CB 3.43Å; K137-N141 PolarHBondContact O-N 3.48Å; K137-N141 PolarHBondContact O-ND2 2.98Å |
| 138 | N | 85 | Confident | 84.7 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 174.6 | -169 | 33.1 | 0 | 0 | 0 | 112 | A134 K136 V142 | A134-N138 WeakPolarHBondContact O-CB 3.46Å; A134-N138 PolarHBondContact O-N 2.91Å; K136-N138 VanDerWaalsContact C-N 3.27Å; K136-N138 PolarHBondContact O-N 3.19Å; N138-V142 VanDerWaalsContact O-CG2 3.29Å; N138-V142 WeakPolarHBondContact O-CG2 3.32Å; N138-V142 PolarHBondContact O-N 3.06Å; N138-V142 VanDerWaalsContact O-N 3.13Å |
| 139 | K | 81.4 | Confident | 84 | Confident | 152 Ų | 152 | 99.4 Ų | 99.4 | 66% | 0.661 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 174.7 | -68.8 | 174.4 | -177.7 | 177.7 | 0 | 111.8 | A135 K136 V142 V143 | A135-K139 WeakPolarHBondContact O-CG 3.23Å; A135-K139 PolarHBondContact O-N 3.33Å; K136-K139 WeakPolarHBondContact O-CB 3.49Å; K136-K139 PolarHBondContact O-N 3.06Å; K139-V142 PolarHBondContact O-N 3.32Å; K139-V143 VanDerWaalsContact O-CG2 3.23Å; K139-V143 WeakPolarHBondContact O-CG2 3.46Å; K139-V143 PolarHBondContact O-N 2.95Å |
| 140 | E | 75.8 | Confident | 83.5 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 178.6 | -71.6 | 174.2 | 174.5 | 0 | 0 | 112 | K136 K137 V142 V143 E144 | K136-E140 WeakPolarHBondContact CE-OE1 3.48Å; K136-E140 IonicContact NZ-OE1 2.79Å; K136-E140 PolarHBondContact O-N 2.91Å; K137-E140 PolarHBondContact O-N 3.38Å; E140-V142 PolarHBondContact O-N 3.46Å; E140-V143 PolarHBondContact O-N 3.13Å; E140-E144 PolarHBondContact O-N 2.97Å |
| 141 | N | 75.6 | Confident | 82.9 | Confident | 82 Ų | 82 | 107.5 Ų | 107.5 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176.4 | -71.3 | -19.7 | 0 | 0 | 0 | 112.1 | K137 V143 E144 D145 | K137-N141 WeakPolarHBondContact O-CB 3.43Å; K137-N141 PolarHBondContact O-N 3.48Å; K137-N141 PolarHBondContact O-ND2 2.98Å; N141-V143 VanDerWaalsContact C-N 3.32Å; N141-V143 PolarHBondContact O-N 3.35Å; N141-E144 PolarHBondContact O-N 3.47Å; N141-D145 WeakPolarHBondContact O-CB 3.29Å; N141-D145 PolarHBondContact O-N 3.05Å |
| 142 | V | 76 | Confident | 82.4 | Confident | 82 Ų | 82 | 106.9 Ų | 106.9 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 177 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | N138 K139 E140 V146 | N138-V142 VanDerWaalsContact O-CG2 3.29Å; N138-V142 WeakPolarHBondContact O-CG2 3.32Å; N138-V142 PolarHBondContact O-N 3.06Å; N138-V142 VanDerWaalsContact O-N 3.13Å; K139-V142 PolarHBondContact O-N 3.32Å; E140-V142 PolarHBondContact O-N 3.46Å; V142-V146 HydrophobicContact CG1-CG2 4.47Å; V142-V146 WeakPolarHBondContact O-CB 3.44Å; V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.46Å |
| 143 | V | 72.3 | Confident | 81.9 | Confident | 62 Ų | 62 | 107.7 Ų | 107.7 | 38% | 0.376 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 178 | 171 | 0 | 0 | 0 | 0 | 111.5 | K139 E140 N141 R147 | K139-V143 VanDerWaalsContact O-CG2 3.23Å; K139-V143 WeakPolarHBondContact O-CG2 3.46Å; K139-V143 PolarHBondContact O-N 2.95Å; E140-V143 PolarHBondContact O-N 3.13Å; N141-V143 VanDerWaalsContact C-N 3.32Å; N141-V143 PolarHBondContact O-N 3.35Å; V143-R147 HydrophobicContact CG1-CG 4.44Å; V143-R147 VanDerWaalsContact CG1-NE 3.3Å; V143-R147 WeakPolarHBondContact O-CB 3.15Å; V143-R147 WeakPolarHBondContact O-CD 3.45Å; V143-R147 WeakPolarHBondContact O-CG 3.48Å; V143-R147 PolarHBondContact O-N 2.86Å |
| 144 | E | 71.1 | Confident | 81.6 | Confident | 136 Ų | 136 | 106.9 Ų | 106.9 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 176.3 | -171.4 | 172.1 | -174.3 | 0 | 0 | 111.9 | E140 N141 R147 A148 | E140-E144 PolarHBondContact O-N 2.97Å; N141-E144 PolarHBondContact O-N 3.47Å; E144-R147 PolarHBondContact O-N 3.03Å; E144-A148 WeakPolarHBondContact O-CB 3.22Å; E144-A148 PolarHBondContact O-N 3.19Å |
| 145 | D | 74.4 | Confident | 81.3 | Confident | 120 Ų | 120 | 113 Ų | 113 | 64% | 0.642 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 179.1 | -161.4 | 24 | 0 | 0 | 0 | 111.8 | N141 R147 A148 S149 | N141-D145 WeakPolarHBondContact O-CB 3.29Å; N141-D145 PolarHBondContact O-N 3.05Å; D145-R147 PolarHBondContact O-N 3.04Å; D145-A148 PolarHBondContact O-N 3.44Å; D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.99Å |
| 146 | V | 77.5 | Confident | 81.2 | Confident | 80 Ų | 80 | 115.5 Ų | 115.5 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 173.4 | 172 | 0 | 0 | 0 | 0 | 111.3 | V142 S149 L150 | V142-V146 HydrophobicContact CG1-CG2 4.47Å; V142-V146 WeakPolarHBondContact O-CB 3.44Å; V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.46Å; V146-S149 PolarHBondContact O-N 3.26Å; V146-L150 HydrophobicContact CG1-CD1 4.24Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.44Å |
| 147 | R | 72.7 | Confident | 81.2 | Confident | 151 Ų | 151 | 113.5 Ų | 113.5 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 176.8 | -76.4 | 171.3 | -175.6 | 173.1 | 4.8 | 111.2 | V143 E144 D145 S149 L150 Y151 | V143-R147 HydrophobicContact CG1-CG 4.44Å; V143-R147 VanDerWaalsContact CG1-NE 3.3Å; V143-R147 WeakPolarHBondContact O-CB 3.15Å; V143-R147 WeakPolarHBondContact O-CD 3.45Å; V143-R147 WeakPolarHBondContact O-CG 3.48Å; V143-R147 PolarHBondContact O-N 2.86Å; E144-R147 PolarHBondContact O-N 3.03Å; D145-R147 PolarHBondContact O-N 3.04Å; R147-S149 VanDerWaalsContact C-N 3.33Å; R147-S149 PolarHBondContact O-N 3.34Å; R147-L150 PolarHBondContact O-N 3.35Å; R147-Y151 HydrophobicContact CB-CD2 4.46Å; R147-Y151 HydrophobicContact CB-CE2 4.26Å; R147-Y151 WeakPolarHBondContact O-CD2 3.5Å; R147-Y151 PolarHBondContact O-N 2.96Å |
| 148 | A | 75.1 | Confident | 81.4 | Confident | 40 Ų | 40 | 111.2 Ų | 111.2 | 33% | 0.331 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E144 D145 L150 Y151 Q152 | E144-A148 WeakPolarHBondContact O-CB 3.22Å; E144-A148 PolarHBondContact O-N 3.19Å; D145-A148 PolarHBondContact O-N 3.44Å; A148-L150 PolarHBondContact O-N 2.93Å; A148-Y151 PolarHBondContact O-N 2.93Å; A148-Q152 WeakPolarHBondContact O-CB 2.99Å; A148-Q152 VanDerWaalsContact O-CG 3.26Å; A148-Q152 WeakPolarHBondContact O-CG 3.39Å; A148-Q152 PolarHBondContact O-N 3.4Å |
| 149 | S | 82.9 | Confident | 81.8 | Confident | 67 Ų | 67 | 111.2 Ų | 111.2 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.8 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | D145 V146 R147 Q152 R153 | D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.99Å; V146-S149 PolarHBondContact O-N 3.26Å; R147-S149 VanDerWaalsContact C-N 3.33Å; R147-S149 PolarHBondContact O-N 3.34Å; S149-Q152 PolarHBondContact O-N 2.83Å; S149-R153 WeakPolarHBondContact O-CB 3.41Å; S149-R153 PolarHBondContact O-N 2.96Å |
| 150 | L | 86.3 | Confident | 82 | Confident | 106 Ų | 106 | 108.2 Ų | 108.2 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 176.4 | -72.8 | 173.5 | 0 | 0 | 0 | 112.5 | V146 R147 A148 R153 Q154 | V146-L150 HydrophobicContact CG1-CD1 4.24Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.44Å; R147-L150 PolarHBondContact O-N 3.35Å; A148-L150 PolarHBondContact O-N 2.93Å; L150-R153 PolarHBondContact O-N 3.21Å; L150-Q154 WeakPolarHBondContact O-CB 3.26Å; L150-Q154 PolarHBondContact O-N 3.47Å |
| 151 | Y | 83.7 | Confident | 82.6 | Confident | 160 Ų | 160 | 104.8 Ų | 104.8 | 63% | 0.627 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 175.8 | -76.1 | -65.5 | 0 | 0 | 0 | 112.2 | R147 A148 R153 Q154 R155 | R147-Y151 HydrophobicContact CB-CD2 4.46Å; R147-Y151 HydrophobicContact CB-CE2 4.26Å; R147-Y151 WeakPolarHBondContact O-CD2 3.5Å; R147-Y151 PolarHBondContact O-N 2.96Å; A148-Y151 PolarHBondContact O-N 2.93Å; Y151-R153 VanDerWaalsContact C-N 3.34Å; Y151-Q154 PolarHBondContact O-N 2.9Å; Y151-R155 WeakPolarHBondContact O-CB 3.47Å; Y151-R155 PolarHBondContact O-N 2.85Å |
| 152 | Q | 86.5 | Confident | 83.4 | Confident | 137 Ų | 137 | 104.4 Ų | 104.4 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 175.6 | -74.6 | 173 | -10 | 0 | 0 | 111.1 | A148 S149 R155 M156 | A148-Q152 WeakPolarHBondContact O-CB 2.99Å; A148-Q152 VanDerWaalsContact O-CG 3.26Å; A148-Q152 WeakPolarHBondContact O-CG 3.39Å; A148-Q152 PolarHBondContact O-N 3.4Å; S149-Q152 PolarHBondContact O-N 2.83Å; Q152-R155 PolarHBondContact O-N 3.34Å; Q152-M156 WeakPolarHBondContact O-CB 3.42Å; Q152-M156 PolarHBondContact O-N 3.44Å |
| 153 | R | 85.5 | Confident | 84 | Confident | 167 Ų | 167 | 105 Ų | 105 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -48.3 | 176.8 | -174.7 | 168.8 | 177.9 | 169 | -1.1 | 111.8 | S149 L150 Y151 R155 M156 D157 | S149-R153 WeakPolarHBondContact O-CB 3.41Å; S149-R153 PolarHBondContact O-N 2.96Å; L150-R153 PolarHBondContact O-N 3.21Å; Y151-R153 VanDerWaalsContact C-N 3.34Å; R153-R155 VanDerWaalsContact C-N 3.29Å; R153-R155 PolarHBondContact O-N 3.38Å; R153-M156 WeakPolarHBondContact O-CB 3.33Å; R153-M156 PolarHBondContact O-N 2.93Å; R153-D157 VanDerWaalsContact O-CG 3.32Å; R153-D157 PolarHBondContact O-N 3.32Å |
| 154 | Q | 88.2 | Confident | 84.5 | Confident | 129 Ų | 129 | 105.3 Ų | 105.3 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -38.8 | 178.7 | -171.9 | 172.6 | 19.4 | 0 | 0 | 112.5 | L150 Y151 T158 | L150-Q154 WeakPolarHBondContact O-CB 3.26Å; L150-Q154 PolarHBondContact O-N 3.47Å; Y151-Q154 PolarHBondContact O-N 2.9Å; Q154-T158 PolarHBondContact O-N 3.37Å; Q154-T158 VanDerWaalsContact O-N 3.12Å; Q154-T158 PolarHBondContact O-OG1 3.12Å |
| 155 | R | 88.1 | Confident | 85.1 | Confident | 186 Ų | 186 | 105 Ų | 105 | 70% | 0.702 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.8 | -42.6 | 176.2 | -175.5 | 175.5 | 176.4 | 147.7 | -0.3 | 112 | Y151 Q152 R153 T158 L159 | Y151-R155 WeakPolarHBondContact O-CB 3.47Å; Y151-R155 PolarHBondContact O-N 2.85Å; Q152-R155 PolarHBondContact O-N 3.34Å; R153-R155 VanDerWaalsContact C-N 3.29Å; R153-R155 PolarHBondContact O-N 3.38Å; R155-T158 PolarHBondContact O-N 3.36Å; R155-L159 HydrophobicContact CG-CD1 4.38Å; R155-L159 WeakPolarHBondContact O-CG 3.36Å; R155-L159 PolarHBondContact O-N 2.96Å |
| 156 | M | 89.7 | Confident | 85.8 | Confident | 104 Ų | 104 | 106 Ų | 106 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 174.9 | -177.2 | -172.2 | 76.9 | 0 | 0 | 110.6 | Q152 R153 T158 L159 I160 | Q152-M156 WeakPolarHBondContact O-CB 3.42Å; Q152-M156 PolarHBondContact O-N 3.44Å; R153-M156 WeakPolarHBondContact O-CB 3.33Å; R153-M156 PolarHBondContact O-N 2.93Å; M156-T158 VanDerWaalsContact C-N 3.27Å; M156-T158 PolarHBondContact O-N 3.07Å; M156-L159 WeakPolarHBondContact O-CB 3.47Å; M156-L159 PolarHBondContact O-N 3.44Å; M156-I160 HydrophobicContact CG-CG1 4.33Å; M156-I160 WeakPolarHBondContact O-CG1 3.35Å; M156-I160 PolarHBondContact O-N 3.21Å |
| 157 | D | 90.8 | Very high | 86.1 | Confident | 87 Ų | 87 | 109 Ų | 109 | 47% | 0.465 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -38 | -179.4 | -69.5 | -23.3 | 0 | 0 | 0 | 111.7 | R153 I160 G161 | R153-D157 VanDerWaalsContact O-CG 3.32Å; R153-D157 PolarHBondContact O-N 3.32Å; D157-I160 PolarHBondContact O-N 2.91Å; D157-G161 PolarHBondContact O-N 2.9Å |
| 158 | T | 91.7 | Very high | 86.4 | Confident | 82 Ų | 82 | 106.6 Ų | 106.6 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 174.4 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | Q154 R155 M156 G161 D162 | Q154-T158 PolarHBondContact O-N 3.37Å; Q154-T158 VanDerWaalsContact O-N 3.12Å; Q154-T158 PolarHBondContact O-OG1 3.12Å; R155-T158 PolarHBondContact O-N 3.36Å; M156-T158 VanDerWaalsContact C-N 3.27Å; M156-T158 PolarHBondContact O-N 3.07Å; T158-G161 PolarHBondContact O-N 2.86Å; T158-D162 PolarHBondContact O-N 3.32Å |
| 159 | L | 92.4 | Very high | 86.4 | Confident | 103 Ų | 103 | 111.2 Ų | 111.2 | 54% | 0.539 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -38.5 | 177.5 | -71.7 | 170.6 | 0 | 0 | 0 | 112.8 | R155 M156 D162 L163 | R155-L159 HydrophobicContact CG-CD1 4.38Å; R155-L159 WeakPolarHBondContact O-CG 3.36Å; R155-L159 PolarHBondContact O-N 2.96Å; M156-L159 WeakPolarHBondContact O-CB 3.47Å; M156-L159 PolarHBondContact O-N 3.44Å; L159-D162 PolarHBondContact O-N 2.92Å; L159-L163 WeakPolarHBondContact O-CB 3.22Å; L159-L163 PolarHBondContact O-N 3.34Å |
| 160 | I | 86.2 | Confident | 86 | Confident | 90 Ų | 90 | 113.6 Ų | 113.6 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.9 | -44 | 174.8 | -65.3 | -62.5 | 0 | 0 | 0 | 109.9 | M156 D157 D162 L163 V164 | M156-I160 HydrophobicContact CG-CG1 4.33Å; M156-I160 WeakPolarHBondContact O-CG1 3.35Å; M156-I160 PolarHBondContact O-N 3.21Å; D157-I160 PolarHBondContact O-N 2.91Å; I160-D162 VanDerWaalsContact C-N 3.34Å; I160-D162 PolarHBondContact O-N 3.37Å; I160-L163 PolarHBondContact O-N 2.95Å; I160-V164 HydrophobicContact CG2-CG2 4.21Å; I160-V164 WeakPolarHBondContact O-CB 3.27Å; I160-V164 VanDerWaalsContact O-CG2 3.27Å; I160-V164 WeakPolarHBondContact O-CG2 3.45Å; I160-V164 PolarHBondContact O-N 3.45Å |
| 161 | G | 87.8 | Confident | 85.1 | Confident | 30 Ų | 30 | 117.1 Ų | 117.1 | 31% | 0.309 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.2 | -46.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D157 T158 L163 V164 N165 | D157-G161 PolarHBondContact O-N 2.9Å; T158-G161 PolarHBondContact O-N 2.86Å; G161-L163 VanDerWaalsContact C-N 3.32Å; G161-L163 PolarHBondContact O-N 3.07Å; G161-V164 PolarHBondContact O-N 2.85Å; G161-N165 VanDerWaalsContact O-CB 3.29Å; G161-N165 WeakPolarHBondContact O-CB 3.43Å; G161-N165 PolarHBondContact O-N 3.02Å; G161-N165 PolarHBondContact O-ND2 3.45Å; G161-N165 VanDerWaalsContact O-ND2 3.11Å |
| 162 | D | 92.4 | Very high | 83.9 | Confident | 74 Ų | 74 | 117.5 Ų | 117.5 | 40% | 0.396 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.6 | -37 | 175.9 | -80.6 | -5.4 | 0 | 0 | 0 | 112.9 | T158 L159 I160 K166 | T158-D162 PolarHBondContact O-N 3.32Å; L159-D162 PolarHBondContact O-N 2.92Å; I160-D162 VanDerWaalsContact C-N 3.34Å; I160-D162 PolarHBondContact O-N 3.37Å; D162-K166 WeakPolarHBondContact O-CB 3.29Å; D162-K166 WeakPolarHBondContact O-CE 3.47Å; D162-K166 WeakPolarHBondContact O-CG 3.36Å; D162-K166 PolarHBondContact O-N 3.26Å |
| 163 | L | 88.4 | Confident | 82.3 | Confident | 94 Ų | 94 | 119.3 Ų | 119.3 | 49% | 0.492 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.6 | -46.1 | 178.4 | -173.8 | 69.5 | 0 | 0 | 0 | 111.4 | L159 I160 G161 N165 K166 F167 | L159-L163 WeakPolarHBondContact O-CB 3.22Å; L159-L163 PolarHBondContact O-N 3.34Å; I160-L163 PolarHBondContact O-N 2.95Å; G161-L163 VanDerWaalsContact C-N 3.32Å; G161-L163 PolarHBondContact O-N 3.07Å; L163-N165 VanDerWaalsContact C-N 3.26Å; L163-N165 PolarHBondContact O-N 3.18Å; L163-K166 PolarHBondContact O-N 3.11Å; L163-K166 VanDerWaalsContact O-N 3.12Å; L163-F167 HydrophobicContact CD1-CD2 3.82Å; L163-F167 HydrophobicContact CD1-CE2 4.1Å; L163-F167 PolarHBondContact O-N 2.9Å |
| 164 | V | 83.7 | Confident | 80.7 | Confident | 68 Ų | 68 | 120.4 Ų | 120.4 | 41% | 0.412 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.4 | -38.3 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | I160 G161 F167 P168 | I160-V164 HydrophobicContact CG2-CG2 4.21Å; I160-V164 WeakPolarHBondContact O-CB 3.27Å; I160-V164 VanDerWaalsContact O-CG2 3.27Å; I160-V164 WeakPolarHBondContact O-CG2 3.45Å; I160-V164 PolarHBondContact O-N 3.45Å; G161-V164 PolarHBondContact O-N 2.85Å; V164-F167 CarbonylContact O-C 3.46Å; V164-P168 WeakPolarHBondContact O-CA 3.38Å |
| 165 | N | 83.4 | Confident | 78.9 | Confident | 130 Ų | 130 | 121 Ų | 121 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.7 | -33.3 | 175.4 | -72.5 | -26 | 0 | 0 | 0 | 112.7 | G161 L163 | G161-N165 VanDerWaalsContact O-CB 3.29Å; G161-N165 WeakPolarHBondContact O-CB 3.43Å; G161-N165 PolarHBondContact O-N 3.02Å; G161-N165 PolarHBondContact O-ND2 3.45Å; G161-N165 VanDerWaalsContact O-ND2 3.11Å; L163-N165 VanDerWaalsContact C-N 3.26Å; L163-N165 PolarHBondContact O-N 3.18Å |
| 166 | K | 88.8 | Confident | 76.7 | Confident | 141 Ų | 141 | 114.6 Ų | 114.6 | 61% | 0.613 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.7 | -35.2 | 177.3 | -74.7 | 174.7 | -137.4 | -63.3 | 0 | 112.8 | D162 L163 | D162-K166 WeakPolarHBondContact O-CB 3.29Å; D162-K166 WeakPolarHBondContact O-CE 3.47Å; D162-K166 WeakPolarHBondContact O-CG 3.36Å; D162-K166 PolarHBondContact O-N 3.26Å; L163-K166 PolarHBondContact O-N 3.11Å; L163-K166 VanDerWaalsContact O-N 3.12Å |
| 167 | F | 84.7 | Confident | 74.5 | Confident | 144 Ų | 144 | 117.7 Ų | 117.7 | 63% | 0.632 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -125.6 | 79.7 | 178.9 | -60.4 | -81 | 0 | 0 | 0 | 108.3 | L163 V164 L169 | L163-F167 HydrophobicContact CD1-CD2 3.82Å; L163-F167 HydrophobicContact CD1-CE2 4.1Å; L163-F167 PolarHBondContact O-N 2.9Å; V164-F167 CarbonylContact O-C 3.46Å; F167-L169 PolarHBondContact O-N 3.41Å; F167-L169 VanDerWaalsContact O-N 3.12Å |
| 168 | P | 79 | Confident | 72.2 | Confident | 100 Ų | 100 | 122.3 Ų | 122.3 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 123.8 | 176 | 23.7 | -32.2 | 0 | 0 | 0 | 108.1 | V164 | V164-P168 WeakPolarHBondContact O-CA 3.38Š|
| 169 | L | 74.4 | Confident | 69.7 | Low | 137 Ų | 137 | 125.3 Ų | 125.3 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127.8 | 177 | -68.6 | 165.6 | 0 | 0 | 0 | 107.3 | F167 M171 | F167-L169 PolarHBondContact O-N 3.41Å; F167-L169 VanDerWaalsContact O-N 3.12Å; L169-M171 PolarHBondContact O-N 3.04Å |
| 170 | P | 75.2 | Confident | 67 | Low | 116 Ų | 116 | 125.1 Ų | 125.1 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 120.8 | 170.4 | -24.6 | 33.5 | 0 | 0 | 0 | 106.9 | L172 | P170-L172 PolarHBondContact O-N 2.87Š|
| 171 | M | 65.7 | Low | 64.7 | Low | 180 Ų | 180 | 129.4 Ų | 129.4 | 89% | 0.887 | 70% | 0.7 | S | S | * | * | trans | -52.8 | 115.5 | 175.9 | -76.1 | -127.5 | 148.6 | 0 | 0 | 105.9 | L169 E173 | L169-M171 PolarHBondContact O-N 3.04Å; M171-E173 PolarHBondContact O-N 3.39Å | ||
| 172 | L | 58.7 | Low | 62.2 | Low | 168 Ų | 168 | 136.9 Ų | 136.9 | 88% | 0.88 | 73% | 0.727 | S | S | * | * | trans | -61.6 | 100.2 | 172 | -74.2 | 170.7 | 0 | 0 | 0 | 104.3 | P170 E174 | P170-L172 PolarHBondContact O-N 2.87Å; L172-E174 PolarHBondContact O-N 3.12Å; L172-E174 VanDerWaalsContact O-N 3.07Å | ||
| 173 | E | 53.7 | Low | 59.5 | Low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -49.4 | 119.3 | 168.9 | -71.5 | 171.4 | 166.2 | 0 | 0 | 105.6 | M171 V175 | M171-E173 PolarHBondContact O-N 3.39Å; E173-V175 VanDerWaalsContact C-N 3.29Å; E173-V175 PolarHBondContact O-N 3.44Å | ||
| 174 | E | 52 | Low | 56.8 | Low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -54.5 | 96.2 | 178.3 | -64.3 | -178.4 | 167.5 | 0 | 0 | 107.4 | L172 G176 | L172-E174 PolarHBondContact O-N 3.12Å; L172-E174 VanDerWaalsContact O-N 3.07Å; E174-G176 PolarHBondContact O-N 3.12Å | ||
| 175 | V | 49.3 | Very low | 54.3 | Low | 140 Ų | 140 | 149.8 Ų | 149.8 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 97.7 | 167.8 | 179.6 | 0 | 0 | 0 | 0 | 104.5 | E173 | E173-V175 VanDerWaalsContact C-N 3.29Å; E173-V175 PolarHBondContact O-N 3.44Å | ||
| 176 | G | 43.3 | Very low | 52 | Low | 53 Ų | 53 | 149.5 Ų | 149.5 | 55% | 0.546 | 79% | 0.791 | S | S | . | * | trans | -49.1 | 138 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | E174 M178 | E174-G176 PolarHBondContact O-N 3.12Å; G176-M178 PolarHBondContact O-N 3.42Å; G176-M178 VanDerWaalsContact O-N 3.1Å | ||
| 177 | D | 42.8 | Very low | 49.4 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | 22.8 | 77.4 | 151.3 | -68.5 | -27 | 0 | 0 | 0 | 115.4 | ||||
| 178 | M | 42.6 | Very low | 46.8 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -107.1 | 93.1 | 149.1 | -89.5 | -170.8 | 68.1 | 0 | 0 | 109.3 | G176 | G176-M178 PolarHBondContact O-N 3.42Å; G176-M178 VanDerWaalsContact O-N 3.1Å | ||
| 179 | D | 39 | Very low | 44.7 | Very low | 146 Ų | 146 | 156.8 Ų | 156.8 | 78% | 0.781 | 82% | 0.824 | S | S | * | * | trans | -45.7 | 151.8 | 163.6 | -157.7 | 1.2 | 0 | 0 | 0 | 112.7 | ||||
| 180 | S | 36 | Very low | 42.7 | Very low | 98 Ų | 98 | 154.5 Ų | 154.5 | 69% | 0.685 | 82% | 0.824 | S | S | * | * | trans | 68.5 | 97.6 | 169.7 | 71.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 181 | M | 37.6 | Very low | 40.5 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | -176.6 | 113.7 | 112.1 | -97.8 | -180 | -176.7 | 0 | 0 | 111.3 | |||||
| 182 | E | 36 | Very low | 39 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | 42.2 | 107.9 | 145.4 | -65.2 | -176.7 | 155.1 | 0 | 0 | 120.6 | E184 | E182-E184 PolarHBondContact O-N 2.86Š| ||
| 183 | K | 35 | Very low | 37.7 | Very low | 210 Ų | 210 | 149.7 Ų | 149.7 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -18.3 | 117.1 | 149 | -63.2 | 173.9 | 179 | 174.7 | 0 | 115.3 | ||||
| 184 | E | 32.9 | Very low | 37 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -142.8 | 89.6 | 133.5 | -147.7 | 175.7 | -167.3 | 0 | 0 | 109.5 | E182 P186 | E182-E184 PolarHBondContact O-N 2.86Å; E184-P186 WeakPolarHBondContact O-CD 3.37Å | ||
| 185 | S | 30.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 119.5 | 174.9 | 44.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 186 | P | 36.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 135.5 | 171.3 | 26.6 | -23.4 | 0 | 0 | 0 | 109.4 | E184 K188 | E184-P186 WeakPolarHBondContact O-CD 3.37Å; P186-K188 PolarHBondContact O-N 3.43Å |
| 187 | K | 32.8 | Very low | 34.4 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 118.8 | -172.8 | -68.5 | 171 | 177.1 | 171.9 | 0 | 112.4 | V189 | K187-V189 PolarHBondContact O-N 2.9Å; K187-V189 VanDerWaalsContact O-N 3.07Å |
| 188 | K | 31.7 | Very low | 33.8 | Very low | 207 Ų | 207 | 153.4 Ų | 153.4 | 90% | 0.9 | 83% | 0.826 | S | S | * | * | trans | -64.4 | 98 | 166.4 | -145 | -178.4 | -169.9 | -174.1 | 0 | 108.3 | P186 A190 | P186-K188 PolarHBondContact O-N 3.43Å; K188-A190 PolarHBondContact O-N 3.01Å | ||
| 189 | V | 33 | Very low | 33.3 | Very low | 134 Ų | 134 | 154.1 Ų | 154.1 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | -85.1 | 103.2 | 169.7 | -178 | 0 | 0 | 0 | 0 | 107.9 | K187 | K187-V189 PolarHBondContact O-N 2.9Å; K187-V189 VanDerWaalsContact O-N 3.07Å | ||
| 190 | A | 32.4 | Very low | 32.8 | Very low | 89 Ų | 89 | 153.2 Ų | 153.2 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | trans | 16.6 | 99.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | K188 | K188-A190 PolarHBondContact O-N 3.01Š| ||
| 191 | S | 29.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 151.8 Ų | 151.8 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -80.7 | 116.3 | 143 | 32.6 | 0 | 0 | 0 | 0 | 106.8 | D193 | S191-D193 PolarHBondContact O-N 2.76Š| ||
| 192 | A | 34.2 | Very low | 32 | Very low | 87 Ų | 87 | 152.7 Ų | 152.7 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | trans | -67.6 | 118.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V194 | A192-V194 VanDerWaalsContact C-N 3.31Å; A192-V194 PolarHBondContact O-N 3.07Å | ||
| 193 | D | 32.1 | Very low | 31.8 | Very low | 166 Ų | 166 | 155 Ų | 155 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | -64.6 | 88.3 | 167.2 | -78.9 | -43.8 | 0 | 0 | 0 | 109.6 | S191 | S191-D193 PolarHBondContact O-N 2.76Š| ||
| 194 | V | 38.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 74% | 0.739 | 83% | 0.829 | S | S | * | * | trans | -103.2 | 72.9 | 162.2 | -173.7 | 0 | 0 | 0 | 0 | 106.9 | A192 | A192-V194 VanDerWaalsContact C-N 3.31Å; A192-V194 PolarHBondContact O-N 3.07Å | ||
| 195 | N | 30.1 | Very low | 32 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -160.1 | 64.2 | 166.8 | -89.3 | -29.7 | 0 | 0 | 0 | 109.9 | ||||
| 196 | N | 26.7 | Very low | 32.3 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 80% | 0.797 | 84% | 0.838 | S | S | * | * | trans | -137.5 | 63.2 | 160.2 | -152.2 | 11.5 | 0 | 0 | 0 | 110.1 | ||||
| 197 | L | 33.3 | Very low | 32.4 | Very low | 180 Ų | 180 | 158 Ų | 158 | 94% | 0.942 | 84% | 0.838 | S | S | * | * | trans | -131.2 | 74.8 | 158.1 | -90.7 | 100.2 | 0 | 0 | 0 | 107.9 | ||||
| 198 | K | 30.2 | Very low | 32.6 | Very low | 194 Ų | 194 | 157.2 Ų | 157.2 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -140.9 | 134.6 | 158.3 | -117.6 | 178.9 | 179 | 179.2 | 0 | 107.2 | ||||
| 199 | E | 31.9 | Very low | 33 | Very low | 198 Ų | 198 | 156 Ų | 156 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | trans | 82.4 | 64.5 | 177.2 | -60.4 | -174.6 | 140.5 | 0 | 0 | 117.4 | ||||
| 200 | S | 29.2 | Very low | 33.5 | Very low | 128 Ų | 128 | 158.8 Ų | 158.8 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | -117.4 | 101 | 128.9 | 51.2 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 201 | G | 27.2 | Very low | 34 | Very low | 68 Ų | 68 | 161.9 Ų | 161.9 | 70% | 0.701 | 84% | 0.84 | S | S | * | * | trans | -81.2 | 160.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 202 | K | 28.8 | Very low | 34.7 | Very low | 198 Ų | 198 | 161.7 Ų | 161.7 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | trans | 78.9 | 136 | 161.7 | -79 | 174.8 | 168.3 | 172.7 | 0 | 117.8 | ||||
| 203 | R | 32.4 | Very low | 35.3 | Very low | 237 Ų | 237 | 163 Ų | 163 | 89% | 0.894 | 84% | 0.842 | S | S | * | * | trans | 89.3 | 99.3 | 175.4 | -49.6 | 167 | -159.2 | -150.5 | 5.3 | 108.7 | ||||
| 204 | E | 36.8 | Very low | 36.1 | Very low | 179 Ų | 179 | 164.6 Ų | 164.6 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | -172.7 | 25.1 | 85.2 | -91.5 | 174.6 | 177.5 | 0 | 0 | 114.8 | D206 | E204-D206 VanDerWaalsContact C-N 3.33Å; E204-D206 PolarHBondContact O-N 2.79Å | |||
| 205 | D | 34.8 | Very low | 36.3 | Very low | 169 Ų | 169 | 169.9 Ų | 169.9 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 20.8 | -172.8 | -65.5 | -21 | 0 | 0 | 0 | 116.4 | ||
| 206 | D | 37.1 | Very low | 37 | Very low | 169 Ų | 169 | 170 Ų | 170 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 4 | -177.5 | -81.9 | -26.1 | 0 | 0 | 0 | 115.7 | E204 | E204-D206 VanDerWaalsContact C-N 3.33Å; E204-D206 PolarHBondContact O-N 2.79Å |
| 207 | E | 38.3 | Very low | 37.7 | Very low | 175 Ų | 175 | 172.9 Ų | 172.9 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -103.9 | -16.6 | -175.2 | -77.6 | -124.7 | 131.1 | 0 | 0 | 117.5 | ||
| 208 | E | 36 | Very low | 38.2 | Very low | 182 Ų | 182 | 173.4 Ų | 173.4 | 85% | 0.85 | 87% | 0.872 | S | S | * | * | G | 310 helix | trans | -90.4 | -9.6 | -173 | -77.9 | -163.2 | 153.2 | 0 | 0 | 116.6 | K210 | E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.1Å |
| 209 | Q | 40.9 | Very low | 38.7 | Very low | 182 Ų | 182 | 172.4 Ų | 172.4 | 85% | 0.85 | 87% | 0.874 | S | S | * | * | G | 310 helix | trans | -83.1 | -2.6 | 177.3 | -77.9 | -166.3 | -13.1 | 0 | 0 | 115.1 | ||
| 210 | K | 43 | Very low | 39 | Very low | 192 Ų | 192 | 171.1 Ų | 171.1 | 84% | 0.835 | 87% | 0.871 | S | S | * | * | G | 310 helix | trans | -86.5 | -6.3 | -178.5 | -130.7 | 177.3 | -173 | 177 | 0 | 115.6 | E208 | E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.1Å |
| 211 | L | 43.3 | Very low | 39.6 | Very low | 154 Ų | 154 | 173.4 Ų | 173.4 | 81% | 0.806 | 87% | 0.869 | S | S | * | * | S | Bend | trans | -99.3 | -16.9 | -178.9 | -84.3 | 150.2 | 0 | 0 | 0 | 114.8 | ||
| 212 | S | 43.6 | Very low | 40.3 | Very low | 105 Ų | 105 | 179.6 Ų | 179.6 | 73% | 0.734 | 88% | 0.879 | S | S | * | * | G | 310 helix | trans | -84.5 | -23.5 | -176.3 | -161.8 | 0 | 0 | 0 | 0 | 114.5 | K214 | S212-K214 PolarHBondContact O-N 2.89Š|
| 213 | S | 47.8 | Very low | 41 | Very low | 115 Ų | 115 | 178.5 Ų | 178.5 | 80% | 0.804 | 88% | 0.88 | S | S | * | * | G | 310 helix | trans | -85.5 | 4.2 | -176.9 | -62.4 | 0 | 0 | 0 | 0 | 116.1 | ||
| 214 | K | 48.4 | Very low | 41.6 | Very low | 200 Ų | 200 | 174.6 Ų | 174.6 | 87% | 0.87 | 88% | 0.88 | S | S | * | * | G | 310 helix | trans | -99.5 | 3.7 | 179.2 | -96 | -173.2 | 179 | -178.6 | 0 | 116 | S212 | S212-K214 PolarHBondContact O-N 2.89Š|
| 215 | R | 42.2 | Very low | 41.9 | Very low | 232 Ų | 232 | 174.3 Ų | 174.3 | 88% | 0.875 | 88% | 0.883 | S | S | * | * | S | Bend | trans | -113.5 | 12.2 | -175.5 | -136.2 | 177.5 | -176.4 | -177 | 0.3 | 117.2 | ||
| 216 | L | 44.3 | Very low | 42.5 | Very low | 163 Ų | 163 | 174.7 Ų | 174.7 | 85% | 0.853 | 88% | 0.881 | S | S | * | * | S | Bend | trans | -139.4 | 67.3 | 175.5 | -75.6 | 157.2 | 0 | 0 | 0 | 110.3 | ||
| 217 | K | 42.1 | Very low | 42.9 | Very low | 211 Ų | 211 | 175.2 Ų | 175.2 | 92% | 0.917 | 88% | 0.879 | S | S | * | * | trans | -175.6 | 61.9 | 160.2 | -102.2 | 168.7 | -167.6 | -176.1 | 0 | 109.7 | ||||
| 218 | S | 45.2 | Very low | 43.3 | Very low | 191 Ų | 191 | 175.2 Ų | 175.2 | 100% | 1.336 | 89% | 0.885 | S | S | * | * | trans | -173.2 | 0 | 147.1 | -171.7 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 218 of 218 residues in 292.7 ms
(Link to these results)