| 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 | 51.1 | Low | 61.6 | Low | 229 Ų | 229 | 144.5 Ų | 144.5 | 100% | 1.128 | 77% | 0.773 | S | S | * | * | 0 | 111.7 | 0 | -67.1 | 177.5 | 174.3 | 0 | 0 | 109.7 | K3 | M1-K3 PolarHBondContact O-N 3.38Š| |||
| 2 | P | 62.8 | Low | 61.9 | Low | 130 Ų | 130 | 143.5 Ų | 143.5 | 84% | 0.844 | 75% | 0.75 | S | S | * | * | trans | -66.8 | 122.4 | 173.1 | -15.1 | 30 | 0 | 0 | 0 | 110 | ||||
| 3 | K | 59 | Low | 62 | Low | 195 Ų | 195 | 149.7 Ų | 149.7 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -89 | 121.9 | 168.2 | -70.3 | 176.2 | 178.5 | 172.7 | 0 | 107.6 | M1 K5 | M1-K3 PolarHBondContact O-N 3.38Å; K3-K5 PolarHBondContact O-N 3.39Å | ||
| 4 | N | 58.3 | Low | 62.5 | Low | 137 Ų | 137 | 155 Ų | 155 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -55.6 | 100.7 | 176.6 | -78.7 | 43.2 | 0 | 0 | 0 | 111 | G6 | N4-G6 PolarHBondContact O-N 2.74Š| ||
| 5 | K | 54.7 | Low | 62.8 | Low | 218 Ų | 218 | 148.1 Ų | 148.1 | 95% | 0.948 | 75% | 0.748 | S | S | * | * | trans | -87.5 | 52.9 | -171.4 | -158.5 | 177.5 | -178.4 | -175.1 | 0 | 111.2 | K3 | K3-K5 PolarHBondContact O-N 3.39Š| ||
| 6 | G | 64.4 | Low | 63.2 | Low | 39 Ų | 39 | 148.9 Ų | 148.9 | 40% | 0.402 | 75% | 0.745 | S | S | . | * | trans | -127.4 | 142.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N4 G8 | N4-G6 PolarHBondContact O-N 2.74Å; G6-G8 PolarHBondContact O-N 2.75Å | ||
| 7 | K | 54.6 | Low | 63.2 | Low | 200 Ų | 200 | 147.8 Ų | 147.8 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | trans | 23.8 | 79.9 | 177.1 | -103.8 | 177.7 | 178.1 | 172.9 | 0 | 115.1 | G9 R12 | K7-G9 PolarHBondContact O-N 2.91Å; K7-G9 VanDerWaalsContact O-N 3.13Å; K7-R12 WeakPolarHBondContact O-CD 3.48Å | ||
| 8 | G | 58.2 | Low | 63.3 | Low | 77 Ų | 77 | 143.9 Ų | 143.9 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -78.1 | 86.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G6 | G6-G8 PolarHBondContact O-N 2.75Š| ||
| 9 | G | 71.5 | Confident | 63.3 | Low | 36 Ų | 36 | 140.4 Ų | 140.4 | 37% | 0.371 | 71% | 0.705 | S | S | . | * | trans | -97.7 | 152.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | K7 N11 R12 | K7-G9 PolarHBondContact O-N 2.91Å; K7-G9 VanDerWaalsContact O-N 3.13Å; G9-N11 PolarHBondContact O-N 2.83Å; G9-N11 VanDerWaalsContact O-N 3.15Å; G9-R12 PolarHBondContact O-N 3.03Å | ||
| 10 | K | 74.7 | Confident | 63.1 | Low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -37.5 | 176.5 | -70.9 | -178.6 | -179.7 | 176.1 | 0 | 112.5 | ||
| 11 | N | 68.8 | Low | 62.9 | Low | 138 Ų | 138 | 134.7 Ų | 134.7 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -34 | 179.7 | -65 | -2.2 | 0 | 0 | 0 | 112.9 | G9 R13 R14 | G9-N11 PolarHBondContact O-N 2.83Å; G9-N11 VanDerWaalsContact O-N 3.15Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 3.37Å; N11-R14 PolarHBondContact O-N 3.13Å |
| 12 | R | 65.3 | Low | 63.5 | Low | 133 Ų | 133 | 129.6 Ų | 129.6 | 50% | 0.502 | 67% | 0.665 | S | S | . | * | G | 310 helix | trans | -64.4 | -35.6 | 179.5 | -172.8 | 177.2 | -179.5 | 137.8 | 9.7 | 111.8 | K7 G9 R14 G15 | K7-R12 WeakPolarHBondContact O-CD 3.48Å; G9-R12 PolarHBondContact O-N 3.03Å; R12-R14 PolarHBondContact O-N 2.74Å; R12-R14 VanDerWaalsContact O-N 3.15Å; R12-G15 PolarHBondContact O-N 2.82Å; R12-G15 VanDerWaalsContact O-N 3.15Å |
| 13 | R | 63.3 | Low | 63.7 | Low | 224 Ų | 224 | 132.7 Ų | 132.7 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -65.1 | -13.5 | 178.3 | -64.7 | -171.8 | -177.9 | -175.9 | 1.5 | 114.3 | N11 | N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 3.37Å |
| 14 | R | 68.5 | Low | 64.4 | Low | 224 Ų | 224 | 129.9 Ų | 129.9 | 85% | 0.845 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -94.1 | -7.7 | 176.9 | -64.2 | -176.4 | 176 | -179.6 | -2.6 | 113.5 | N11 R12 | N11-R14 PolarHBondContact O-N 3.13Å; R12-R14 PolarHBondContact O-N 2.74Å; R12-R14 VanDerWaalsContact O-N 3.15Å |
| 15 | G | 66.8 | Low | 65.5 | Low | 51 Ų | 51 | 132.1 Ų | 132.1 | 53% | 0.526 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -81.8 | 126 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R12 N17 | R12-G15 PolarHBondContact O-N 2.82Å; R12-G15 VanDerWaalsContact O-N 3.15Å; G15-N17 PolarHBondContact O-N 3.39Å |
| 16 | K | 69.5 | Low | 66.9 | Low | 162 Ų | 162 | 123.4 Ų | 123.4 | 70% | 0.704 | 62% | 0.619 | S | S | * | * | trans | -67.8 | 113.6 | 163.9 | -169.7 | -175.8 | 174.8 | -157.2 | 0 | 107.5 | E18 | K16-E18 HydrophobicContact CD-CG 4.15Å; K16-E18 VanDerWaalsContact CD-OE1 3.31Å; K16-E18 WeakPolarHBondContact CD-OE1 3.26Å; K16-E18 VanDerWaalsContact CE-OE1 3.22Å; K16-E18 WeakPolarHBondContact CE-OE1 3.41Å; K16-E18 HydrophobicContact CG-CG 4.19Å; K16-E18 IonicContact NZ-OE1 2.68Å; K16-E18 PolarHBondContact NZ-OE1 2.87Å; K16-E18 PolarHBondContact O-N 3.02Å | ||
| 17 | N | 63.6 | Low | 68.1 | Low | 130 Ų | 130 | 124.9 Ų | 124.9 | 70% | 0.695 | 62% | 0.62 | S | S | * | * | trans | -77.7 | 76.1 | -177.6 | -169 | 85.5 | 0 | 0 | 0 | 110.2 | G15 | G15-N17 PolarHBondContact O-N 3.39Š| ||
| 18 | E | 64.3 | Low | 69.8 | Low | 78 Ų | 78 | 119.5 Ų | 119.5 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | trans | -80.3 | 120.3 | 167.8 | -71.3 | 168.7 | 166.7 | 0 | 0 | 107.8 | K16 D20 K68 | K16-E18 HydrophobicContact CD-CG 4.15Å; K16-E18 VanDerWaalsContact CD-OE1 3.31Å; K16-E18 WeakPolarHBondContact CD-OE1 3.26Å; K16-E18 VanDerWaalsContact CE-OE1 3.22Å; K16-E18 WeakPolarHBondContact CE-OE1 3.41Å; K16-E18 HydrophobicContact CG-CG 4.19Å; K16-E18 IonicContact NZ-OE1 2.68Å; K16-E18 PolarHBondContact NZ-OE1 2.87Å; K16-E18 PolarHBondContact O-N 3.02Å; E18-D20 PolarHBondContact O-N 3.15Å; E18-K68 IonicContact OE2-NZ 2.87Å; E18-K68 PolarHBondContact OE2-NZ 3.13Å | ||
| 19 | N | 62.8 | Low | 71.4 | Confident | 77 Ų | 77 | 119.4 Ų | 119.4 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | trans | -79.7 | 89.7 | -176.6 | -154.8 | 13.7 | 0 | 0 | 0 | 108.6 | A21 E22 R24 | N19-A21 PolarHBondContact O-N 2.75Å; N19-E22 HydrophobicContact CB-CG 4.36Å; N19-E22 WeakPolarHBondContact CB-OE1 3.45Å; N19-E22 PolarHBondContact ND2-OE1 3.24Å; N19-R24 PolarHBondContact O-NH2 2.87Å | ||
| 20 | D | 60.3 | Low | 72.5 | Confident | 69 Ų | 69 | 124 Ų | 124 | 37% | 0.369 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -7.1 | 177.7 | -92.8 | 4.7 | 0 | 0 | 0 | 113.5 | E18 R24 | E18-D20 PolarHBondContact O-N 3.15Å; D20-R24 IonicContact OD1-CZ 3.59Å; D20-R24 IonicContact OD1-NH1 3.33Å; D20-R24 PolarHBondContact OD1-NH1 2.79Å; D20-R24 IonicContact OD1-NH2 2.6Å; D20-R24 PolarHBondContact OD1-NH2 3.06Å |
| 21 | A | 59.3 | Low | 73.2 | Confident | 91 Ų | 91 | 123.2 Ų | 123.2 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -2.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N19 | N19-A21 PolarHBondContact O-N 2.75Š|
| 22 | E | 63.2 | Low | 74.3 | Confident | 122 Ų | 122 | 118.5 Ų | 118.5 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -71.5 | 130.3 | 169.8 | -80.9 | 162.2 | -152.1 | 0 | 0 | 109.2 | N19 R24 | N19-E22 HydrophobicContact CB-CG 4.36Å; N19-E22 WeakPolarHBondContact CB-OE1 3.45Å; N19-E22 PolarHBondContact ND2-OE1 3.24Å; E22-R24 PolarHBondContact O-N 2.91Å |
| 23 | K | 66.2 | Low | 75.7 | Confident | 196 Ų | 196 | 113.8 Ų | 113.8 | 85% | 0.852 | 56% | 0.559 | S | S | * | * | trans | -59.4 | 105.6 | 179.3 | -66.9 | -174.3 | 175.3 | -168.7 | 0 | 109.3 | ||||
| 24 | R | 75 | Confident | 77.2 | Confident | 135 Ų | 135 | 104.5 Ų | 104.5 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 160.5 | 178.2 | -74.5 | 166.1 | -171.2 | 170.9 | 5.6 | 110.4 | N19 D20 E22 | N19-R24 PolarHBondContact O-NH2 2.87Å; D20-R24 IonicContact OD1-CZ 3.59Å; D20-R24 IonicContact OD1-NH1 3.33Å; D20-R24 PolarHBondContact OD1-NH1 2.79Å; D20-R24 IonicContact OD1-NH2 2.6Å; D20-R24 PolarHBondContact OD1-NH2 3.06Å; E22-R24 PolarHBondContact O-N 2.91Å |
| 25 | E | 80.5 | Confident | 78.4 | Confident | 185 Ų | 185 | 93.9 Ų | 93.9 | 86% | 0.864 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 141.3 | 168.1 | -66.1 | 172.3 | 178 | 0 | 0 | 109.6 | V27 | E25-V27 PolarHBondContact O-N 3.31Š|
| 26 | L | 85 | Confident | 79.8 | Confident | 34 Ų | 34 | 91.4 Ų | 91.4 | 18% | 0.178 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 119.6 | 179.5 | -173.1 | 70 | 0 | 0 | 0 | 109.2 | F28 Y95 E99 N102 L103 Y106 | L26-F28 HydrophobicContact CD2-CE1 4.05Å; L26-F28 HydrophobicContact CD2-CZ 3.96Å; L26-F28 PolarHBondContact O-N 3.15Å; L26-Y95 HydrophobicContact CD1-CD1 4.14Å; L26-Y95 HydrophobicContact CD1-CE1 4.11Å; L26-E99 HydrophobicContact CD1-CB 3.72Å; L26-E99 HydrophobicContact CD1-CG 4.08Å; L26-N102 HydrophobicContact CD2-CB 4.28Å; L26-L103 HydrophobicContact CD1-CD2 4.4Å; L26-L103 HydrophobicContact CD1-CG 4.15Å; L26-L103 HydrophobicContact CD2-CD2 3.82Å; L26-L103 HydrophobicContact CD2-CG 4.06Å; L26-L103 HydrophobicContact CG-CD2 4.24Å; L26-L103 HydrophobicContact CG-CG 4.48Å; L26-Y106 HydrophobicContact CD2-CD2 3.68Å; L26-Y106 HydrophobicContact CD2-CE2 3.64Å |
| 27 | V | 89.4 | Confident | 80.9 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 43% | 0.43 | 44% | 0.436 | S | S | . | . | trans | -82.4 | 113.2 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | E25 L78 L93 Y95 | E25-V27 PolarHBondContact O-N 3.31Å; V27-L78 HydrophobicContact CG1-CD2 4.15Å; V27-L93 HydrophobicContact CB-CD2 3.92Å; V27-L93 HydrophobicContact CG2-CD2 4.1Å; V27-Y95 WeakPolarHBondContact O-CE1 3.43Å; V27-Y95 PolarHBondContact O-OH 3.07Å | ||
| 28 | F | 90.6 | Very high | 82.4 | Confident | 87 Ų | 87 | 79.7 Ų | 79.7 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | trans | -77.1 | 162.5 | 170.5 | -64.2 | -83.9 | 0 | 0 | 0 | 110.9 | L26 L103 Y106 E108 | L26-F28 HydrophobicContact CD2-CE1 4.05Å; L26-F28 HydrophobicContact CD2-CZ 3.96Å; L26-F28 PolarHBondContact O-N 3.15Å; F28-L103 HydrophobicContact CD1-CD2 4.39Å; F28-Y106 HydrophobicContact CE1-CD2 4.06Å; F28-Y106 HydrophobicContact CE1-CG 4.21Å; F28-Y106 HydrophobicContact CZ-CD2 4.08Å; F28-Y106 HydrophobicContact CZ-CE2 4.2Å; F28-Y106 HydrophobicContact CZ-CG 4.38Å; F28-E108 HydrophobicContact CD1-CG 3.96Å; F28-E108 HydrophobicContact CE1-CG 4.12Å | ||
| 29 | K | 91.5 | Very high | 83.8 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | trans | -68.7 | 143.4 | 172.6 | 65.8 | 177.2 | 171.8 | -176.9 | 0 | 111.6 | Q33 E34 Y35 L78 | K29-Q33 HydrophobicContact CB-CB 4.4Å; K29-E34 IonicContact NZ-OE1 2.67Å; K29-E34 PolarHBondContact NZ-OE1 2.97Å; K29-E34 IonicContact NZ-OE2 2.87Å; K29-E34 PolarHBondContact NZ-OE2 3.44Å; K29-Y35 HydrophobicContact CB-CE1 4.06Å; K29-Y35 HydrophobicContact CB-CE2 4.12Å; K29-Y35 HydrophobicContact CD-CD2 3.79Å; K29-Y35 HydrophobicContact CD-CE2 3.48Å; K29-Y35 VanDerWaalsContact CD-CE2 3.48Å; K29-Y35 HydrophobicContact CG-CD2 4.37Å; K29-Y35 HydrophobicContact CG-CE1 4.45Å; K29-Y35 HydrophobicContact CG-CE2 3.66Å; K29-Y35 PolarHBondContact N-OH 3.15Å; K29-L78 HydrophobicContact CB-CD1 3.87Å | ||
| 30 | E | 93.5 | Very high | 85.3 | Confident | 133 Ų | 133 | 80.8 Ų | 80.8 | 62% | 0.621 | 41% | 0.406 | S | S | * | . | trans | -105.6 | 174.3 | 171.3 | -58 | 174.7 | 147.2 | 0 | 0 | 109.7 | Q33 | E30-Q33 HydrophobicContact CB-CG 4.46Å; E30-Q33 WeakPolarHBondContact O-CB 3.31Å; E30-Q33 PolarHBondContact O-N 3.21Å; E30-Q33 PolarHBondContact OE2-NE2 2.68Å | ||
| 31 | D | 90.4 | Very high | 87 | Confident | 173 Ų | 173 | 81.7 Ų | 81.7 | 93% | 0.925 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 141.6 | 172.4 | -172.6 | 26.7 | 0 | 0 | 0 | 111.6 | Q33 | D31-Q33 PolarHBondContact O-N 2.68Š|
| 32 | G | 92.2 | Very high | 88.6 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 8.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L81 | G32-L81 WeakPolarHBondContact O-CB 3.22Å; G32-L81 PolarHBondContact O-N 2.78Å |
| 33 | Q | 94.7 | Very high | 90.1 | Very high | 34 Ų | 34 | 77.3 Ų | 77.3 | 16% | 0.159 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 148.7 | 174.6 | -50.7 | -179.2 | 30.7 | 0 | 0 | 111.1 | K29 E30 D31 L78 I79 I92 | K29-Q33 HydrophobicContact CB-CB 4.4Å; E30-Q33 HydrophobicContact CB-CG 4.46Å; E30-Q33 WeakPolarHBondContact O-CB 3.31Å; E30-Q33 PolarHBondContact O-N 3.21Å; E30-Q33 PolarHBondContact OE2-NE2 2.68Å; D31-Q33 PolarHBondContact O-N 2.68Å; Q33-L78 HydrophobicContact CB-CD1 4.24Å; Q33-I79 CarbonylContact C-O 3.51Å; Q33-I79 WeakPolarHBondContact CA-O 3.19Å; Q33-I92 HydrophobicContact CG-CD1 3.88Å |
| 34 | E | 93.9 | Very high | 91.3 | Very high | 30 Ų | 30 | 74.7 Ų | 74.7 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 150.8 | 176 | -168 | 46.9 | -98.2 | 0 | 0 | 110.8 | K29 C51 D53 I79 | K29-E34 IonicContact NZ-OE1 2.67Å; K29-E34 PolarHBondContact NZ-OE1 2.97Å; K29-E34 IonicContact NZ-OE2 2.87Å; K29-E34 PolarHBondContact NZ-OE2 3.44Å; E34-C51 HydrophobicContact CG-CB 4.5Å; E34-D53 HydrophobicContact CG-CB 4.49Å; E34-I79 PolarHBondContact N-O 3.01Å; E34-I79 WeakPolarHBondContact O-CB 3.34Å; E34-I79 PolarHBondContact O-N 2.93Å |
| 35 | Y | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 152.7 | 172.2 | -51.3 | -69.4 | 0 | 0 | 0 | 110.1 | K29 C51 F52 L78 Y95 L103 E108 L109 | K29-Y35 HydrophobicContact CB-CE1 4.06Å; K29-Y35 HydrophobicContact CB-CE2 4.12Å; K29-Y35 HydrophobicContact CD-CD2 3.79Å; K29-Y35 HydrophobicContact CD-CE2 3.48Å; K29-Y35 VanDerWaalsContact CD-CE2 3.48Å; K29-Y35 HydrophobicContact CG-CD2 4.37Å; K29-Y35 HydrophobicContact CG-CE1 4.45Å; K29-Y35 HydrophobicContact CG-CE2 3.66Å; K29-Y35 PolarHBondContact N-OH 3.15Å; Y35-C51 WeakPolarHBondContact O-CA 3.44Å; Y35-F52 WeakPolarHBondContact O-CD2 3.32Å; Y35-F52 PolarHBondContact O-N 2.6Å; Y35-F52 VanDerWaalsContact O-N 3.08Å; Y35-L78 HydrophobicContact CD1-CD1 3.95Å; Y35-L78 HydrophobicContact CE1-CD1 4.1Å; Y35-Y95 AromaticContact CD1-CE2 3.94Å; Y35-Y95 HydrophobicContact CD1-CE2 3.94Å; Y35-Y95 HydrophobicContact CE1-CE2 4.23Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.31Å; Y35-L103 HydrophobicContact CD1-CD1 4.38Å; Y35-L103 HydrophobicContact CE1-CD1 4.15Å; Y35-L103 HydrophobicContact CE1-CD2 3.97Å; Y35-E108 HydrophobicContact CE2-CB 3.81Å; Y35-E108 HydrophobicContact CE2-CG 4.46Å; Y35-E108 WeakPolarHBondContact CE2-OE2 3.07Å; Y35-E108 PolarHBondContact OH-OE2 2.9Å; Y35-L109 HydrophobicContact CD2-CD2 3.72Å; Y35-L109 HydrophobicContact CG-CD2 3.74Å |
| 36 | A | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 156.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A49 F50 C51 I76 V77 I79 | A36-A49 HydrophobicContact CB-CB 3.78Å; A36-F50 CarbonylContact C-O 3.51Å; A36-F50 WeakPolarHBondContact CA-O 3.04Å; A36-F50 VanDerWaalsContact CB-O 3.28Å; A36-F50 WeakPolarHBondContact CB-O 3.48Å; A36-C51 HydrophobicContact CB-CB 4.23Å; A36-I76 WeakPolarHBondContact O-CA 3.38Å; A36-V77 HydrophobicContact CB-CG2 4.21Å; A36-V77 PolarHBondContact N-O 3.2Å; A36-V77 WeakPolarHBondContact O-CG2 3.44Å; A36-V77 PolarHBondContact O-N 3.47Å; A36-I79 HydrophobicContact CB-CD1 3.34Å; A36-I79 HydrophobicContact CB-CG1 3.87Å |
| 37 | Q | 94.1 | Very high | 93.3 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.9 | 168.6 | -179.3 | 161.7 | 47.8 | 0 | 0 | 110.8 | I39 A49 F50 G74 I76 R114 | Q37-I39 PolarHBondContact O-N 2.73Å; Q37-A49 CarbonylContact O-C 3.39Å; Q37-A49 WeakPolarHBondContact O-CA 3.48Å; Q37-A49 WeakPolarHBondContact O-CB 3.36Å; Q37-F50 PolarHBondContact N-O 2.86Å; Q37-F50 PolarHBondContact O-N 3.28Å; Q37-G74 PolarHBondContact NE2-O 3.37Å; Q37-I76 HydrophobicContact CB-CD1 3.89Å; Q37-I76 HydrophobicContact CG-CD1 4.07Å; Q37-R114 PolarHBondContact NE2-O 3.16Å |
| 38 | V | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 117.8 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | M41 L47 I71 N72 G74 D75 V77 | V38-M41 HydrophobicContact CG1-SD 4.12Å; V38-L47 HydrophobicContact CG1-CB 4.2Å; V38-L47 HydrophobicContact CG1-CD1 4.15Å; V38-L47 HydrophobicContact CG1-CD2 4.07Å; V38-L47 HydrophobicContact CG1-CG 4.38Å; V38-L47 HydrophobicContact CG2-CD1 4.05Å; V38-L47 HydrophobicContact CG2-CD2 3.89Å; V38-I71 HydrophobicContact CG2-CG2 3.78Å; V38-N72 WeakPolarHBondContact CB-O 3.48Å; V38-N72 WeakPolarHBondContact CG1-O 3.28Å; V38-G74 PolarHBondContact O-N 2.63Å; V38-D75 HydrophobicContact CG2-CB 4.35Å; V38-D75 PolarHBondContact N-O 3.12Å; V38-V77 HydrophobicContact CG2-CG1 3.95Å; V38-V77 HydrophobicContact CG2-CG2 3.96Å |
| 39 | I | 94.1 | Very high | 93.9 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 36% | 0.359 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -54.5 | 177.5 | -55.8 | 163.9 | 0 | 0 | 0 | 109.9 | Q37 Q48 F50 M56 | Q37-I39 PolarHBondContact O-N 2.73Å; I39-Q48 HydrophobicContact CD1-CG 4.15Å; I39-Q48 PolarHBondContact N-O 3.25Å; I39-F50 HydrophobicContact CD1-CB 3.83Å; I39-F50 HydrophobicContact CG1-CB 4Å; I39-M56 HydrophobicContact CD1-CE 3.33Å; I39-M56 HydrophobicContact CD1-CG 4.41Å |
| 40 | K | 94.4 | Very high | 94 | Very high | 107 Ų | 107 | 61.8 Ų | 61.8 | 47% | 0.465 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 150.3 | -177.6 | 60.5 | 173.7 | 171.7 | -179 | 0 | 112.7 | L42 L47 Q48 | K40-L42 HydrophobicContact CD-CD2 4.28Å; K40-L42 HydrophobicContact CG-CD2 4.27Å; K40-L47 WeakPolarHBondContact O-CA 3.31Å; K40-Q48 HydrophobicContact CG-CB 4.05Å; K40-Q48 PolarHBondContact N-O 3.41Å; K40-Q48 PolarHBondContact O-N 2.86Å |
| 41 | M | 94.5 | Very high | 94 | Very high | 88 Ų | 88 | 55.4 Ų | 55.4 | 43% | 0.433 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 132.9 | 172.6 | -59.2 | -59.8 | -82.2 | 0 | 0 | 109.7 | V38 L47 I61 I71 | V38-M41 HydrophobicContact CG1-SD 4.12Å; M41-L47 HydrophobicContact SD-CB 3.73Å; M41-L47 HydrophobicContact SD-CD2 4.12Å; M41-I61 HydrophobicContact CE-CD1 4.17Å; M41-I71 VanDerWaalsContact CE-O 3.27Å; M41-I71 WeakPolarHBondContact CE-O 3.47Å |
| 42 | L | 94.5 | Very high | 94 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -4.6 | -177.6 | -62 | 177.7 | 0 | 0 | 0 | 113.4 | K40 R46 Q48 I58 | K40-L42 HydrophobicContact CD-CD2 4.28Å; K40-L42 HydrophobicContact CG-CD2 4.27Å; L42-R46 HydrophobicContact CB-CB 4.19Å; L42-R46 PolarHBondContact N-O 2.93Å; L42-Q48 HydrophobicContact CD1-CB 4.3Å; L42-Q48 HydrophobicContact CG-CB 4.45Å; L42-I58 HydrophobicContact CD1-CG1 4.44Å; L42-I58 HydrophobicContact CD1-CG2 4.09Å |
| 43 | G | 92.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.4 | 179.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N45 R46 | G43-N45 PolarHBondContact O-N 2.72Å; G43-N45 VanDerWaalsContact O-N 3.08Å; G43-R46 PolarHBondContact O-N 3.03Å |
| 44 | N | 92.8 | Very high | 93.8 | Very high | 141 Ų | 141 | 51.5 Ų | 51.5 | 75% | 0.754 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 42 | -179.1 | -65.5 | 4.6 | 0 | 0 | 0 | 114.4 | R46 | N44-R46 PolarHBondContact O-N 3.21Å; N44-R46 PolarHBondContact O-NH1 3.22Å |
| 45 | N | 91.4 | Very high | 93.7 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 32.7 | -174.6 | -62.4 | 116.5 | 0 | 0 | 0 | 114.9 | G43 I61 | G43-N45 PolarHBondContact O-N 2.72Å; G43-N45 VanDerWaalsContact O-N 3.08Å; N45-I61 HydrophobicContact CB-CB 4.37Å; N45-I61 PolarHBondContact O-N 3.19Å |
| 46 | R | 95 | Very high | 93.8 | Very high | 116 Ų | 116 | 57.4 Ų | 57.4 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151 | 171.6 | -62.7 | 177.9 | -175.5 | 80.5 | -5.8 | 111.1 | L42 G43 N44 C59 | L42-R46 HydrophobicContact CB-CB 4.19Å; L42-R46 PolarHBondContact N-O 2.93Å; G43-R46 PolarHBondContact O-N 3.03Å; N44-R46 PolarHBondContact O-N 3.21Å; N44-R46 PolarHBondContact O-NH1 3.22Å; R46-C59 VanDerWaalsContact CA-O 3.29Å; R46-C59 WeakPolarHBondContact CA-O 3.29Å |
| 47 | L | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 163.7 | 171.8 | 62.2 | 81.6 | 0 | 0 | 0 | 109.5 | V38 K40 M41 A49 C59 I61 I71 V91 | V38-L47 HydrophobicContact CG1-CB 4.2Å; V38-L47 HydrophobicContact CG1-CD1 4.15Å; V38-L47 HydrophobicContact CG1-CD2 4.07Å; V38-L47 HydrophobicContact CG1-CG 4.38Å; V38-L47 HydrophobicContact CG2-CD1 4.05Å; V38-L47 HydrophobicContact CG2-CD2 3.89Å; K40-L47 WeakPolarHBondContact O-CA 3.31Å; M41-L47 HydrophobicContact SD-CB 3.73Å; M41-L47 HydrophobicContact SD-CD2 4.12Å; L47-A49 HydrophobicContact CD1-CB 3.79Å; L47-C59 HydrophobicContact CD1-CB 3.54Å; L47-C59 HydrophobicContact CG-CB 4.08Å; L47-C59 PolarHBondContact N-O 2.97Å; L47-C59 PolarHBondContact O-N 3.49Å; L47-I61 HydrophobicContact CD2-CD1 4.45Å; L47-I61 HydrophobicContact CD2-CG1 4.3Å; L47-I71 HydrophobicContact CD2-CG2 3.86Å; L47-V91 HydrophobicContact CD2-CG2 4.23Å |
| 48 | Q | 96.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.1 | 167.2 | -171.8 | 173.8 | 13.1 | 0 | 0 | 108 | I39 K40 L42 | I39-Q48 HydrophobicContact CD1-CG 4.15Å; I39-Q48 PolarHBondContact N-O 3.25Å; K40-Q48 HydrophobicContact CG-CB 4.05Å; K40-Q48 PolarHBondContact N-O 3.41Å; K40-Q48 PolarHBondContact O-N 2.86Å; L42-Q48 HydrophobicContact CD1-CB 4.3Å; L42-Q48 HydrophobicContact CG-CB 4.45Å |
| 49 | A | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 145.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A36 Q37 L47 M56 R57 C59 I79 | A36-A49 HydrophobicContact CB-CB 3.78Å; Q37-A49 CarbonylContact O-C 3.39Å; Q37-A49 WeakPolarHBondContact O-CA 3.48Å; Q37-A49 WeakPolarHBondContact O-CB 3.36Å; L47-A49 HydrophobicContact CD1-CB 3.79Å; A49-M56 WeakPolarHBondContact O-CA 3.45Å; A49-R57 PolarHBondContact N-O 2.83Å; A49-R57 VanDerWaalsContact N-O 3.09Å; A49-R57 PolarHBondContact O-N 2.9Å; A49-C59 WeakPolarHBondContact CB-SG 3.37Å; A49-I79 HydrophobicContact CB-CD1 3.75Å |
| 50 | F | 94.8 | Very high | 94 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 37% | 0.373 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 112.7 | 166 | -173.5 | -101.7 | 0 | 0 | 0 | 107.6 | A36 Q37 I39 M56 | A36-F50 CarbonylContact C-O 3.51Å; A36-F50 WeakPolarHBondContact CA-O 3.04Å; A36-F50 VanDerWaalsContact CB-O 3.28Å; A36-F50 WeakPolarHBondContact CB-O 3.48Å; Q37-F50 PolarHBondContact N-O 2.86Å; Q37-F50 PolarHBondContact O-N 3.28Å; I39-F50 HydrophobicContact CD1-CB 3.83Å; I39-F50 HydrophobicContact CG1-CB 4Å; F50-M56 HydrophobicContact CD2-CG 4.01Å |
| 51 | C | 93.3 | Very high | 94 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 149.5 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 109 | E34 Y35 A36 D53 G54 V55 R57 | E34-C51 HydrophobicContact CG-CB 4.5Å; Y35-C51 WeakPolarHBondContact O-CA 3.44Å; A36-C51 HydrophobicContact CB-CB 4.23Å; C51-D53 WeakPolarHBondContact CB-OD1 3.33Å; C51-D53 PolarHBondContact O-N 3.06Å; C51-D53 VanDerWaalsContact O-N 3.16Å; C51-G54 PolarHBondContact O-N 3.37Å; C51-V55 WeakPolarHBondContact CB-O 3.34Å; C51-V55 PolarHBondContact N-O 2.8Å; C51-R57 VanDerWaalsContact SG-CD 3.55Å |
| 52 | F | 90.7 | Very high | 94 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 1.3 | -176.9 | -69.5 | -79.4 | 0 | 0 | 0 | 113.9 | Y35 L109 P110 A113 | Y35-F52 WeakPolarHBondContact O-CD2 3.32Å; Y35-F52 PolarHBondContact O-N 2.6Å; Y35-F52 VanDerWaalsContact O-N 3.08Å; F52-L109 HydrophobicContact CD2-CD2 3.68Å; F52-L109 HydrophobicContact CE2-CD2 3.55Å; F52-L109 HydrophobicContact CG-CD2 4.29Å; F52-L109 HydrophobicContact CZ-CD2 4.07Å; F52-P110 VanDerWaalsContact CD1-CD 3.49Å; F52-P110 HydrophobicContact CD1-CG 3.48Å; F52-P110 VanDerWaalsContact CD1-CG 3.48Å; F52-P110 HydrophobicContact CE1-CG 3.74Å; F52-P110 HydrophobicContact CG-CG 4.5Å; F52-A113 HydrophobicContact CE1-CB 3.85Å; F52-A113 HydrophobicContact CZ-CB 3.82Å |
| 53 | D | 90.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -6.9 | 161.2 | 65.8 | -1 | 0 | 0 | 0 | 113.5 | E34 C51 V55 R57 | E34-D53 HydrophobicContact CG-CB 4.49Å; C51-D53 WeakPolarHBondContact CB-OD1 3.33Å; C51-D53 PolarHBondContact O-N 3.06Å; C51-D53 VanDerWaalsContact O-N 3.16Å; D53-V55 WeakPolarHBondContact OD1-CB 3.38Å; D53-V55 PolarHBondContact OD1-N 3.2Å; D53-R57 IonicContact OD2-CZ 2.71Å; D53-R57 VanDerWaalsContact OD2-CZ 3.3Å; D53-R57 IonicContact OD2-NE 3.73Å; D53-R57 PolarHBondContact OD2-NE 2.9Å; D53-R57 IonicContact OD2-NH2 3.56Å; D53-R57 PolarHBondContact OD2-NH2 3.46Å |
| 54 | G | 90.7 | Very high | 93.7 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 91.1 | -1.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | C51 | C51-G54 PolarHBondContact O-N 3.37Š|
| 55 | V | 93.5 | Very high | 93.4 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | trans | -96.5 | 129.3 | -175.7 | -174 | 0 | 0 | 0 | 0 | 111.2 | C51 D53 R57 | C51-V55 WeakPolarHBondContact CB-O 3.34Å; C51-V55 PolarHBondContact N-O 2.8Å; D53-V55 WeakPolarHBondContact OD1-CB 3.38Å; D53-V55 PolarHBondContact OD1-N 3.2Å; V55-R57 HydrophobicContact CB-CG 4.34Å; V55-R57 HydrophobicContact CG1-CG 3.89Å; V55-R57 PolarHBondContact O-N 3.44Å | ||
| 56 | M | 95 | Very high | 93.2 | Very high | 104 Ų | 104 | 56.1 Ų | 56.1 | 51% | 0.512 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 114.5 | 169.1 | -62.4 | 176.7 | 96.6 | 0 | 0 | 110.2 | I39 A49 F50 | I39-M56 HydrophobicContact CD1-CE 3.33Å; I39-M56 HydrophobicContact CD1-CG 4.41Å; A49-M56 WeakPolarHBondContact O-CA 3.45Å; F50-M56 HydrophobicContact CD2-CG 4.01Å |
| 57 | R | 95.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.2 | -176.9 | -58.1 | -178.9 | -173.5 | -108.9 | -0.6 | 111 | A49 C51 D53 V55 C59 D86 | A49-R57 PolarHBondContact N-O 2.83Å; A49-R57 VanDerWaalsContact N-O 3.09Å; A49-R57 PolarHBondContact O-N 2.9Å; C51-R57 VanDerWaalsContact SG-CD 3.55Å; D53-R57 IonicContact OD2-CZ 2.71Å; D53-R57 VanDerWaalsContact OD2-CZ 3.3Å; D53-R57 IonicContact OD2-NE 3.73Å; D53-R57 PolarHBondContact OD2-NE 2.9Å; D53-R57 IonicContact OD2-NH2 3.56Å; D53-R57 PolarHBondContact OD2-NH2 3.46Å; V55-R57 HydrophobicContact CB-CG 4.34Å; V55-R57 HydrophobicContact CG1-CG 3.89Å; V55-R57 PolarHBondContact O-N 3.44Å; R57-C59 PolarHBondContact O-SG 3.14Å; R57-C59 VanDerWaalsContact O-SG 3.38Å; R57-D86 IonicContact CZ-OD1 2.66Å; R57-D86 IonicContact CZ-OD2 2.72Å; R57-D86 PolarHBondContact NH1-O 3.22Å; R57-D86 IonicContact NH1-OD1 3.21Å; R57-D86 PolarHBondContact NH1-OD1 3.48Å; R57-D86 IonicContact NH1-OD2 2.73Å; R57-D86 PolarHBondContact NH1-OD2 3.09Å; R57-D86 IonicContact NH2-OD1 3.4Å; R57-D86 PolarHBondContact NH2-OD1 2.88Å; R57-D86 IonicContact NH2-OD2 2.87Å |
| 58 | I | 96.2 | Very high | 92.2 | Very high | 79 Ų | 79 | 65.2 Ų | 65.2 | 41% | 0.405 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 113 | 170.1 | -63.3 | 175.4 | 0 | 0 | 0 | 108.2 | L42 K87 K88 A89 | L42-I58 HydrophobicContact CD1-CG1 4.44Å; L42-I58 HydrophobicContact CD1-CG2 4.09Å; I58-K87 PolarHBondContact N-O 3.13Å; I58-K88 WeakPolarHBondContact O-CA 3.26Å; I58-A89 PolarHBondContact O-N 3.12Å |
| 59 | C | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.9 | -170 | -39.3 | 0 | 0 | 0 | 0 | 110 | R46 L47 A49 R57 I79 A89 V91 | R46-C59 VanDerWaalsContact CA-O 3.29Å; R46-C59 WeakPolarHBondContact CA-O 3.29Å; L47-C59 HydrophobicContact CD1-CB 3.54Å; L47-C59 HydrophobicContact CG-CB 4.08Å; L47-C59 PolarHBondContact N-O 2.97Å; L47-C59 PolarHBondContact O-N 3.49Å; A49-C59 WeakPolarHBondContact CB-SG 3.37Å; R57-C59 PolarHBondContact O-SG 3.14Å; R57-C59 VanDerWaalsContact O-SG 3.38Å; C59-I79 HydrophobicContact CB-CD1 4.2Å; C59-I79 WeakPolarHBondContact SG-CD1 3.39Å; C59-A89 CarbonylContact C-O 3.52Å; C59-A89 VanDerWaalsContact CA-O 3.31Å; C59-A89 WeakPolarHBondContact CA-O 3.27Å; C59-V91 HydrophobicContact CB-CG2 3.81Å |
| 60 | H | 95.2 | Very high | 91.6 | Very high | 51 Ų | 51 | 75.2 Ų | 75.2 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130 | 179.8 | 172.5 | -109.2 | 0 | 0 | 0 | 110.4 | R62 R66 A89 D90 V91 | H60-R62 PolarHBondContact O-N 3.18Å; H60-R66 PolarHBondContact CE1-NH2 2.71Å; H60-R66 PolarHBondContact NE2-NH2 2.87Å; H60-A89 PolarHBondContact N-O 3.22Å; H60-D90 IonicContact CG-OD1 2.66Å; H60-D90 IonicContact ND1-OD1 3.15Å; H60-D90 PolarHBondContact ND1-OD1 3.31Å; H60-D90 WeakPolarHBondContact O-CA 3.28Å; H60-V91 PolarHBondContact O-N 3.08Å |
| 61 | I | 95.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 71.7 Ų | 71.7 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.8 | -175.8 | -56.7 | 172.6 | 0 | 0 | 0 | 109.1 | M41 N45 L47 M65 R66 I71 | M41-I61 HydrophobicContact CE-CD1 4.17Å; N45-I61 HydrophobicContact CB-CB 4.37Å; N45-I61 PolarHBondContact O-N 3.19Å; L47-I61 HydrophobicContact CD2-CD1 4.45Å; L47-I61 HydrophobicContact CD2-CG1 4.3Å; I61-M65 HydrophobicContact CG2-CB 4.04Å; I61-R66 HydrophobicContact CG2-CG 4.24Å; I61-R66 PolarHBondContact O-NE 3.03Å; I61-R66 VanDerWaalsContact O-NE 3.12Å; I61-I71 HydrophobicContact CD1-CD1 4.34Å; I61-I71 HydrophobicContact CG1-CD1 4.28Å; I61-I71 HydrophobicContact CG2-CD1 4.26Å |
| 62 | R | 92.9 | Very high | 91.5 | Very high | 147 Ų | 147 | 76.4 Ų | 76.4 | 56% | 0.555 | 37% | 0.37 | S | S | * | . | trans | -52.3 | 138.1 | 179.6 | -179.7 | 74.4 | 95.3 | 126.3 | 3.9 | 110.7 | H60 K64 M65 R66 V91 | H60-R62 PolarHBondContact O-N 3.18Å; R62-K64 HydrophobicContact CG-CB 4.27Å; R62-K64 PolarHBondContact O-N 3Å; R62-M65 PolarHBondContact O-N 2.93Å; R62-R66 PolarHBondContact O-N 2.94Å; R62-V91 WeakPolarHBondContact CB-O 3.48Å | ||
| 63 | G | 91.7 | Very high | 91.5 | Very high | 49 Ų | 49 | 76.7 Ų | 76.7 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -32.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M65 R66 | G63-M65 VanDerWaalsContact C-N 3.32Å; G63-M65 PolarHBondContact O-N 3.2Å; G63-R66 PolarHBondContact O-N 3.4Å |
| 64 | K | 89.1 | Confident | 91.6 | Very high | 164 Ų | 164 | 74.6 Ų | 74.6 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -35.7 | 176.7 | -172.1 | -178.2 | 177.7 | -172.1 | 0 | 113.3 | R62 K68 | R62-K64 HydrophobicContact CG-CB 4.27Å; R62-K64 PolarHBondContact O-N 3Å; K64-K68 WeakPolarHBondContact O-CD 3.09Å |
| 65 | M | 87.2 | Confident | 91.8 | Very high | 9 Ų | 9 | 73 Ų | 73 | 4% | 0.044 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -27 | -178.7 | -64 | 179.4 | 81.7 | 0 | 0 | 112.7 | I61 R62 G63 K67 K68 V69 I71 V91 K94 | I61-M65 HydrophobicContact CG2-CB 4.04Å; R62-M65 PolarHBondContact O-N 2.93Å; G63-M65 VanDerWaalsContact C-N 3.32Å; G63-M65 PolarHBondContact O-N 3.2Å; M65-K67 PolarHBondContact O-N 2.76Å; M65-K68 PolarHBondContact O-N 3.15Å; M65-V69 HydrophobicContact CB-CB 4.32Å; M65-V69 HydrophobicContact CE-CB 3.96Å; M65-V69 HydrophobicContact CE-CG1 3.76Å; M65-V69 HydrophobicContact CE-CG2 4.43Å; M65-V69 PolarHBondContact O-N 2.73Å; M65-I71 HydrophobicContact CE-CD1 3.79Å; M65-I71 HydrophobicContact CE-CG1 4.28Å; M65-I71 HydrophobicContact SD-CD1 4.46Å; M65-V91 HydrophobicContact CE-CG1 4.25Å; M65-V91 HydrophobicContact SD-CB 4.44Å; M65-V91 HydrophobicContact SD-CG1 3.86Å; M65-K94 HydrophobicContact CE-CB 3.82Å |
| 66 | R | 87.1 | Confident | 91.7 | Very high | 100 Ų | 100 | 70.9 Ų | 70.9 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 123.7 | -176.5 | -62.5 | -176.4 | -175.4 | -172 | -2.5 | 110.9 | H60 I61 R62 G63 K68 | H60-R66 PolarHBondContact CE1-NH2 2.71Å; H60-R66 PolarHBondContact NE2-NH2 2.87Å; I61-R66 HydrophobicContact CG2-CG 4.24Å; I61-R66 PolarHBondContact O-NE 3.03Å; I61-R66 VanDerWaalsContact O-NE 3.12Å; R62-R66 PolarHBondContact O-N 2.94Å; G63-R66 PolarHBondContact O-N 3.4Å; R66-K68 PolarHBondContact O-N 3.21Å |
| 67 | K | 83.5 | Confident | 91.7 | Very high | 208 Ų | 208 | 65.9 Ų | 65.9 | 90% | 0.904 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 0.5 | -176.3 | -48.9 | 178.4 | 179.4 | 179.8 | 0 | 115.9 | M65 | M65-K67 PolarHBondContact O-N 2.76Š|
| 68 | K | 86.4 | Confident | 91.7 | Very high | 100 Ų | 100 | 65.6 Ų | 65.6 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -58 | 169.4 | -67.5 | -165.3 | -176 | 179.1 | 0 | 110.9 | E18 K64 M65 R66 | E18-K68 IonicContact OE2-NZ 2.87Å; E18-K68 PolarHBondContact OE2-NZ 3.13Å; K64-K68 WeakPolarHBondContact O-CD 3.09Å; M65-K68 PolarHBondContact O-N 3.15Å; R66-K68 PolarHBondContact O-N 3.21Å |
| 69 | V | 89.5 | Confident | 91.7 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 26% | 0.261 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -107.8 | 131 | -175.8 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | M65 K94 | M65-V69 HydrophobicContact CB-CB 4.32Å; M65-V69 HydrophobicContact CE-CB 3.96Å; M65-V69 HydrophobicContact CE-CG1 3.76Å; M65-V69 HydrophobicContact CE-CG2 4.43Å; M65-V69 PolarHBondContact O-N 2.73Å; V69-K94 HydrophobicContact CG1-CB 3.94Å; V69-K94 HydrophobicContact CG1-CD 4.01Å; V69-K94 HydrophobicContact CG1-CG 4.46Å |
| 70 | W | 90.4 | Very high | 91.6 | Very high | 205 Ų | 205 | 62.4 Ų | 62.4 | 78% | 0.777 | 31% | 0.305 | S | S | * | . | trans | -98.7 | 131 | 177 | -68.7 | 61.9 | 0 | 0 | 0 | 109 | K94 | W70-K94 WeakPolarHBondContact O-CD 3.48Å; W70-K94 PolarHBondContact O-NZ 3.44Å | ||
| 71 | I | 92.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | trans | -121.1 | 125.9 | -177.3 | -53.1 | 172.4 | 0 | 0 | 0 | 107.4 | V38 M41 L47 I61 M65 D75 V77 V91 K94 | V38-I71 HydrophobicContact CG2-CG2 3.78Å; M41-I71 VanDerWaalsContact CE-O 3.27Å; M41-I71 WeakPolarHBondContact CE-O 3.47Å; L47-I71 HydrophobicContact CD2-CG2 3.86Å; I61-I71 HydrophobicContact CD1-CD1 4.34Å; I61-I71 HydrophobicContact CG1-CD1 4.28Å; I61-I71 HydrophobicContact CG2-CD1 4.26Å; M65-I71 HydrophobicContact CE-CD1 3.79Å; M65-I71 HydrophobicContact CE-CG1 4.28Å; M65-I71 HydrophobicContact SD-CD1 4.46Å; I71-D75 WeakPolarHBondContact CA-OD2 3.38Å; I71-D75 HydrophobicContact CG2-CB 4.29Å; I71-V77 HydrophobicContact CG2-CG1 4.2Å; I71-V91 HydrophobicContact CD1-CG1 4.05Å; I71-K94 HydrophobicContact CG1-CD 4.3Å | ||
| 72 | N | 92.3 | Very high | 91.5 | Very high | 98 Ų | 98 | 65 Ų | 65 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | trans | -112.5 | 174.2 | 178.8 | -64.9 | -18.4 | 0 | 0 | 0 | 109.9 | V38 D75 | V38-N72 WeakPolarHBondContact CB-O 3.48Å; V38-N72 WeakPolarHBondContact CG1-O 3.28Å; N72-D75 PolarHBondContact N-OD2 3.27Å | ||
| 73 | A | 92.6 | Very high | 91.5 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 150.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | D75 | A73-D75 PolarHBondContact O-N 3.49Š|
| 74 | G | 91.7 | Very high | 91.5 | Very high | 23 Ų | 23 | 70.4 Ų | 70.4 | 24% | 0.237 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -22 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q37 V38 | Q37-G74 PolarHBondContact NE2-O 3.37Å; V38-G74 PolarHBondContact O-N 2.63Å |
| 75 | D | 93.5 | Very high | 91.6 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | trans | -59.1 | 143.1 | 177.3 | -81.5 | -33.9 | 0 | 0 | 0 | 112.3 | V38 I71 N72 A73 K94 | V38-D75 HydrophobicContact CG2-CB 4.35Å; V38-D75 PolarHBondContact N-O 3.12Å; I71-D75 WeakPolarHBondContact CA-OD2 3.38Å; I71-D75 HydrophobicContact CG2-CB 4.29Å; N72-D75 PolarHBondContact N-OD2 3.27Å; A73-D75 PolarHBondContact O-N 3.49Å; D75-K94 VanDerWaalsContact CG-CE 3.5Å; D75-K94 VanDerWaalsContact OD1-CE 3.26Å; D75-K94 WeakPolarHBondContact OD1-CE 3.18Å; D75-K94 IonicContact OD1-NZ 3.14Å; D75-K94 PolarHBondContact OD1-NZ 3.48Å; D75-K94 WeakPolarHBondContact OD2-CE 3.47Å; D75-K94 IonicContact OD2-NZ 2.73Å; D75-K94 PolarHBondContact OD2-NZ 3.43Å | ||
| 76 | I | 93.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.1 | 169.8 | -52 | -57.2 | 0 | 0 | 0 | 109.3 | A36 Q37 Y95 A100 L109 | A36-I76 WeakPolarHBondContact O-CA 3.38Å; Q37-I76 HydrophobicContact CB-CD1 3.89Å; Q37-I76 HydrophobicContact CG-CD1 4.07Å; I76-Y95 HydrophobicContact CG2-CD2 4.1Å; I76-Y95 PolarHBondContact O-N 2.86Å; I76-A100 HydrophobicContact CB-CB 4.27Å; I76-A100 HydrophobicContact CG1-CB 4.09Å; I76-L109 HydrophobicContact CG2-CD1 4.24Å |
| 77 | V | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.4 | -174.6 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | A36 V38 I71 I79 V91 L93 K94 | A36-V77 HydrophobicContact CB-CG2 4.21Å; A36-V77 PolarHBondContact N-O 3.2Å; A36-V77 WeakPolarHBondContact O-CG2 3.44Å; A36-V77 PolarHBondContact O-N 3.47Å; V38-V77 HydrophobicContact CG2-CG1 3.95Å; V38-V77 HydrophobicContact CG2-CG2 3.96Å; I71-V77 HydrophobicContact CG2-CG1 4.2Å; V77-I79 HydrophobicContact CG2-CD1 4.09Å; V77-I79 HydrophobicContact CG2-CG1 3.95Å; V77-V91 HydrophobicContact CB-CG1 4.02Å; V77-V91 HydrophobicContact CG1-CG1 4.18Å; V77-L93 WeakPolarHBondContact CA-O 3.36Å; V77-L93 WeakPolarHBondContact CB-O 3.47Å; V77-K94 HydrophobicContact CG1-CB 4.23Å |
| 78 | L | 94.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 130.5 | 168.2 | -172.3 | 61.8 | 0 | 0 | 0 | 109.2 | V27 K29 Q33 Y35 I92 L93 Y95 | V27-L78 HydrophobicContact CG1-CD2 4.15Å; K29-L78 HydrophobicContact CB-CD1 3.87Å; Q33-L78 HydrophobicContact CB-CD1 4.24Å; Y35-L78 HydrophobicContact CD1-CD1 3.95Å; Y35-L78 HydrophobicContact CE1-CD1 4.1Å; L78-I92 HydrophobicContact CD2-CG2 4.36Å; L78-I92 HydrophobicContact CG-CB 4.46Å; L78-I92 PolarHBondContact O-N 2.83Å; L78-L93 HydrophobicContact CB-CB 4.01Å; L78-L93 HydrophobicContact CD2-CB 4.46Å; L78-L93 PolarHBondContact N-O 2.67Å; L78-L93 PolarHBondContact O-N 3.06Å; L78-Y95 HydrophobicContact CB-CE2 3.8Å |
| 79 | I | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.2 | -174.2 | -63.2 | -162.4 | 0 | 0 | 0 | 109.9 | Q33 E34 A36 A49 C59 V77 L81 A89 | Q33-I79 CarbonylContact C-O 3.51Å; Q33-I79 WeakPolarHBondContact CA-O 3.19Å; E34-I79 PolarHBondContact N-O 3.01Å; E34-I79 WeakPolarHBondContact O-CB 3.34Å; E34-I79 PolarHBondContact O-N 2.93Å; A36-I79 HydrophobicContact CB-CD1 3.34Å; A36-I79 HydrophobicContact CB-CG1 3.87Å; A49-I79 HydrophobicContact CB-CD1 3.75Å; C59-I79 HydrophobicContact CB-CD1 4.2Å; C59-I79 WeakPolarHBondContact SG-CD1 3.39Å; V77-I79 HydrophobicContact CG2-CD1 4.09Å; V77-I79 HydrophobicContact CG2-CG1 3.95Å; I79-L81 HydrophobicContact CG2-CD2 4.27Å; I79-A89 HydrophobicContact CG2-CB 3.18Å |
| 80 | G | 95.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A89 D90 | G80-A89 WeakPolarHBondContact O-CB 3.44Å; G80-D90 PolarHBondContact N-O 2.93Å; G80-D90 PolarHBondContact O-N 3.21Å |
| 81 | L | 94.3 | Very high | 93.7 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | trans | -74.7 | 167.2 | 177.1 | -55.5 | -174.9 | 0 | 0 | 0 | 110.9 | G32 I79 A89 | G32-L81 WeakPolarHBondContact O-CB 3.22Å; G32-L81 PolarHBondContact O-N 2.78Å; I79-L81 HydrophobicContact CG2-CD2 4.27Å; L81-A89 HydrophobicContact CD2-CB 4.45Å | ||
| 82 | R | 93.5 | Very high | 93.8 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | trans | -122.9 | 115.3 | 175.8 | -63.2 | 176.2 | 179.9 | -167.8 | 0.5 | 109.2 | F84 Q85 K88 D90 | R82-F84 HydrophobicContact CB-CE1 4.24Å; R82-F84 HydrophobicContact CB-CZ 4.37Å; R82-F84 HydrophobicContact CG-CZ 4.46Å; R82-F84 PolarHBondContact O-N 3.37Å; R82-Q85 CarbonylContact O-C 3.56Å; R82-Q85 PolarHBondContact O-N 3.48Å; R82-K88 WeakPolarHBondContact CD-O 3.42Å; R82-D90 IonicContact CZ-OD2 3.3Å; R82-D90 IonicContact NE-OD2 3.68Å; R82-D90 PolarHBondContact NE-OD2 2.79Å; R82-D90 IonicContact NH2-OD1 3.21Å; R82-D90 PolarHBondContact NH2-OD1 3.03Å; R82-D90 IonicContact NH2-OD2 3.6Å; R82-D90 PolarHBondContact NH2-OD2 3.12Å | ||
| 83 | D | 91.8 | Very high | 93.8 | Very high | 159 Ų | 159 | 51.8 Ų | 51.8 | 85% | 0.85 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | -45.1 | 172.5 | 60.9 | -33.2 | 0 | 0 | 0 | 113.3 | ||
| 84 | F | 92.1 | Very high | 93.8 | Very high | 150 Ų | 150 | 51.1 Ų | 51.1 | 66% | 0.658 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.3 | -178.3 | 67 | -95.7 | 0 | 0 | 0 | 115.1 | R82 | R82-F84 HydrophobicContact CB-CE1 4.24Å; R82-F84 HydrophobicContact CB-CZ 4.37Å; R82-F84 HydrophobicContact CG-CZ 4.46Å; R82-F84 PolarHBondContact O-N 3.37Å |
| 85 | Q | 92.5 | Very high | 93.9 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | trans | -155.2 | 81.4 | -176.1 | -174.1 | 158.2 | 47.3 | 0 | 0 | 113.2 | R82 K87 K88 | R82-Q85 CarbonylContact O-C 3.56Å; R82-Q85 PolarHBondContact O-N 3.48Å; Q85-K87 VanDerWaalsContact C-N 3.29Å; Q85-K87 PolarHBondContact O-N 2.86Å; Q85-K87 VanDerWaalsContact O-N 3.14Å; Q85-K88 HydrophobicContact CG-CB 4.15Å; Q85-K88 HydrophobicContact CG-CD 4.35Å; Q85-K88 HydrophobicContact CG-CG 4.09Å; Q85-K88 PolarHBondContact O-N 2.71Å; Q85-K88 VanDerWaalsContact OE1-CD 3.24Å | ||
| 86 | D | 92.4 | Very high | 93.7 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -44 | 177.4 | -170.7 | 76.7 | 0 | 0 | 0 | 114.4 | R57 K88 | R57-D86 IonicContact CZ-OD1 2.66Å; R57-D86 IonicContact CZ-OD2 2.72Å; R57-D86 PolarHBondContact NH1-O 3.22Å; R57-D86 IonicContact NH1-OD1 3.21Å; R57-D86 PolarHBondContact NH1-OD1 3.48Å; R57-D86 IonicContact NH1-OD2 2.73Å; R57-D86 PolarHBondContact NH1-OD2 3.09Å; R57-D86 IonicContact NH2-OD1 3.4Å; R57-D86 PolarHBondContact NH2-OD1 2.88Å; R57-D86 IonicContact NH2-OD2 2.87Å; D86-K88 PolarHBondContact O-N 3.3Å |
| 87 | K | 93.9 | Very high | 93.4 | Very high | 162 Ų | 162 | 55.4 Ų | 55.4 | 70% | 0.704 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -9.9 | 179.1 | -62.1 | -174.3 | 179.9 | -177.9 | 0 | 115.1 | I58 Q85 | I58-K87 PolarHBondContact N-O 3.13Å; Q85-K87 VanDerWaalsContact C-N 3.29Å; Q85-K87 PolarHBondContact O-N 2.86Å; Q85-K87 VanDerWaalsContact O-N 3.14Å |
| 88 | K | 94.8 | Very high | 93.1 | Very high | 83 Ų | 83 | 61.1 Ų | 61.1 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146 | 179.2 | -62.8 | -173.7 | -161.7 | 148.4 | 0 | 111.4 | I58 R82 Q85 D86 | I58-K88 WeakPolarHBondContact O-CA 3.26Å; R82-K88 WeakPolarHBondContact CD-O 3.42Å; Q85-K88 HydrophobicContact CG-CB 4.15Å; Q85-K88 HydrophobicContact CG-CD 4.35Å; Q85-K88 HydrophobicContact CG-CG 4.09Å; Q85-K88 PolarHBondContact O-N 2.71Å; Q85-K88 VanDerWaalsContact OE1-CD 3.24Å; D86-K88 PolarHBondContact O-N 3.3Å |
| 89 | A | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I58 C59 H60 I79 G80 L81 | I58-A89 PolarHBondContact O-N 3.12Å; C59-A89 CarbonylContact C-O 3.52Å; C59-A89 VanDerWaalsContact CA-O 3.31Å; C59-A89 WeakPolarHBondContact CA-O 3.27Å; H60-A89 PolarHBondContact N-O 3.22Å; I79-A89 HydrophobicContact CG2-CB 3.18Å; G80-A89 WeakPolarHBondContact O-CB 3.44Å; L81-A89 HydrophobicContact CD2-CB 4.45Å |
| 90 | D | 95.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 63 Ų | 63 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.5 | 175.9 | -70.4 | -91.8 | 0 | 0 | 0 | 110.8 | H60 G80 R82 I92 | H60-D90 IonicContact CG-OD1 2.66Å; H60-D90 IonicContact ND1-OD1 3.15Å; H60-D90 PolarHBondContact ND1-OD1 3.31Å; H60-D90 WeakPolarHBondContact O-CA 3.28Å; G80-D90 PolarHBondContact N-O 2.93Å; G80-D90 PolarHBondContact O-N 3.21Å; R82-D90 IonicContact CZ-OD2 3.3Å; R82-D90 IonicContact NE-OD2 3.68Å; R82-D90 PolarHBondContact NE-OD2 2.79Å; R82-D90 IonicContact NH2-OD1 3.21Å; R82-D90 PolarHBondContact NH2-OD1 3.03Å; R82-D90 IonicContact NH2-OD2 3.6Å; R82-D90 PolarHBondContact NH2-OD2 3.12Å; D90-I92 PolarHBondContact O-N 2.82Å |
| 91 | V | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123.2 | 177.7 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | L47 C59 H60 R62 M65 I71 V77 | L47-V91 HydrophobicContact CD2-CG2 4.23Å; C59-V91 HydrophobicContact CB-CG2 3.81Å; H60-V91 PolarHBondContact O-N 3.08Å; R62-V91 WeakPolarHBondContact CB-O 3.48Å; M65-V91 HydrophobicContact CE-CG1 4.25Å; M65-V91 HydrophobicContact SD-CB 4.44Å; M65-V91 HydrophobicContact SD-CG1 3.86Å; I71-V91 HydrophobicContact CD1-CG1 4.05Å; V77-V91 HydrophobicContact CB-CG1 4.02Å; V77-V91 HydrophobicContact CG1-CG1 4.18Å |
| 92 | I | 94.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 70.2 Ų | 70.2 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -51.3 | -179 | -62.9 | 175 | 0 | 0 | 0 | 110.5 | Q33 L78 D90 | Q33-I92 HydrophobicContact CG-CD1 3.88Å; L78-I92 HydrophobicContact CD2-CG2 4.36Å; L78-I92 HydrophobicContact CG-CB 4.46Å; L78-I92 PolarHBondContact O-N 2.83Å; D90-I92 PolarHBondContact O-N 2.82Å |
| 93 | L | 92.9 | Very high | 91.8 | Very high | 57 Ų | 57 | 67.4 Ų | 67.4 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152.1 | -172.7 | -173.5 | 63.2 | 0 | 0 | 0 | 109.8 | V27 V77 L78 Y95 | V27-L93 HydrophobicContact CB-CD2 3.92Å; V27-L93 HydrophobicContact CG2-CD2 4.1Å; V77-L93 WeakPolarHBondContact CA-O 3.36Å; V77-L93 WeakPolarHBondContact CB-O 3.47Å; L78-L93 HydrophobicContact CB-CB 4.01Å; L78-L93 HydrophobicContact CD2-CB 4.46Å; L78-L93 PolarHBondContact N-O 2.67Å; L78-L93 PolarHBondContact O-N 3.06Å; L93-Y95 HydrophobicContact CD2-CD1 4.48Å; L93-Y95 HydrophobicContact CD2-CE1 4.01Å |
| 94 | K | 93.1 | Very high | 91.6 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.6 | 163.8 | 163.1 | 176 | 165.8 | 163.1 | 0 | 106.9 | M65 V69 W70 I71 D75 V77 | M65-K94 HydrophobicContact CE-CB 3.82Å; V69-K94 HydrophobicContact CG1-CB 3.94Å; V69-K94 HydrophobicContact CG1-CD 4.01Å; V69-K94 HydrophobicContact CG1-CG 4.46Å; W70-K94 WeakPolarHBondContact O-CD 3.48Å; W70-K94 PolarHBondContact O-NZ 3.44Å; I71-K94 HydrophobicContact CG1-CD 4.3Å; D75-K94 VanDerWaalsContact CG-CE 3.5Å; D75-K94 VanDerWaalsContact OD1-CE 3.26Å; D75-K94 WeakPolarHBondContact OD1-CE 3.18Å; D75-K94 IonicContact OD1-NZ 3.14Å; D75-K94 PolarHBondContact OD1-NZ 3.48Å; D75-K94 WeakPolarHBondContact OD2-CE 3.47Å; D75-K94 IonicContact OD2-NZ 2.73Å; D75-K94 PolarHBondContact OD2-NZ 3.43Å; V77-K94 HydrophobicContact CG1-CB 4.23Å |
| 95 | Y | 92.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | trans | -87.1 | 143.3 | 171.2 | -63.2 | -77.4 | 0 | 0 | 0 | 110.7 | L26 V27 Y35 I76 L78 L93 E99 L103 | L26-Y95 HydrophobicContact CD1-CD1 4.14Å; L26-Y95 HydrophobicContact CD1-CE1 4.11Å; V27-Y95 WeakPolarHBondContact O-CE1 3.43Å; V27-Y95 PolarHBondContact O-OH 3.07Å; Y35-Y95 AromaticContact CD1-CE2 3.94Å; Y35-Y95 HydrophobicContact CD1-CE2 3.94Å; Y35-Y95 HydrophobicContact CE1-CE2 4.23Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.31Å; I76-Y95 HydrophobicContact CG2-CD2 4.1Å; I76-Y95 PolarHBondContact O-N 2.86Å; L78-Y95 HydrophobicContact CB-CE2 3.8Å; L93-Y95 HydrophobicContact CD2-CD1 4.48Å; L93-Y95 HydrophobicContact CD2-CE1 4.01Å; Y95-E99 VanDerWaalsContact CA-OE2 3.31Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.41Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; Y95-L103 HydrophobicContact CD1-CD1 3.93Å; Y95-L103 HydrophobicContact CD2-CD1 3.94Å; Y95-L103 HydrophobicContact CE1-CD1 3.89Å; Y95-L103 HydrophobicContact CE2-CD1 3.92Å; Y95-L103 HydrophobicContact CG-CD1 3.93Å | ||
| 96 | N | 89.8 | Confident | 91.3 | Very high | 85 Ų | 85 | 66.4 Ų | 66.4 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | trans | -71.2 | 160.4 | 165.9 | -65.9 | -51.6 | 0 | 0 | 0 | 110.4 | E98 E99 A100 | N96-E98 PolarHBondContact O-N 2.9Å; N96-E99 HydrophobicContact CB-CB 4.5Å; N96-E99 HydrophobicContact CB-CG 4.26Å; N96-E99 PolarHBondContact N-OE2 2.95Å; N96-E99 PolarHBondContact ND2-OE1 3.08Å; N96-E99 PolarHBondContact O-N 2.86Å; N96-E99 VanDerWaalsContact O-N 3.09Å; N96-A100 PolarHBondContact O-N 3.01Å | ||
| 97 | S | 87.9 | Confident | 91 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -29.8 | 179.7 | -51.7 | 0 | 0 | 0 | 0 | 113.2 | R101 | S97-R101 WeakPolarHBondContact O-CG 3.44Å; S97-R101 PolarHBondContact O-N 2.87Å |
| 98 | E | 87.4 | Confident | 90.5 | Very high | 119 Ų | 119 | 61.1 Ų | 61.1 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.6 | -46.7 | 171.9 | -65.7 | -177.1 | -175.6 | 0 | 0 | 112.1 | N96 A100 R101 N102 | N96-E98 PolarHBondContact O-N 2.9Å; E98-A100 VanDerWaalsContact C-N 3.33Å; E98-A100 PolarHBondContact O-N 2.78Å; E98-R101 PolarHBondContact O-N 3.33Å; E98-N102 VanDerWaalsContact O-CG 3.3Å; E98-N102 PolarHBondContact O-N 2.88Å; E98-N102 PolarHBondContact O-OD1 3.35Å |
| 99 | E | 89.8 | Confident | 90 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.9 | -68.3 | 161.3 | -172.5 | 0 | 0 | 111.6 | L26 Y95 N96 N102 L103 | L26-E99 HydrophobicContact CD1-CB 3.72Å; L26-E99 HydrophobicContact CD1-CG 4.08Å; Y95-E99 VanDerWaalsContact CA-OE2 3.31Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.41Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; N96-E99 HydrophobicContact CB-CB 4.5Å; N96-E99 HydrophobicContact CB-CG 4.26Å; N96-E99 PolarHBondContact N-OE2 2.95Å; N96-E99 PolarHBondContact ND2-OE1 3.08Å; N96-E99 PolarHBondContact O-N 2.86Å; N96-E99 VanDerWaalsContact O-N 3.09Å; E99-N102 WeakPolarHBondContact O-CB 3.37Å; E99-N102 PolarHBondContact O-N 2.88Å; E99-L103 WeakPolarHBondContact O-CG 3.45Å; E99-L103 PolarHBondContact O-N 2.89Å |
| 100 | A | 89.2 | Confident | 89.3 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I76 N96 E98 L103 K104 I115 | I76-A100 HydrophobicContact CB-CB 4.27Å; I76-A100 HydrophobicContact CG1-CB 4.09Å; N96-A100 PolarHBondContact O-N 3.01Å; E98-A100 VanDerWaalsContact C-N 3.33Å; E98-A100 PolarHBondContact O-N 2.78Å; A100-L103 PolarHBondContact O-N 3.18Å; A100-K104 PolarHBondContact O-N 3.37Å; A100-I115 HydrophobicContact CB-CD1 4.3Å; A100-I115 HydrophobicContact CB-CG1 4.22Å; A100-I115 HydrophobicContact CB-CG2 3.55Å; A100-I115 WeakPolarHBondContact O-CD1 3.19Å |
| 101 | R | 87.7 | Confident | 88.3 | Confident | 145 Ų | 145 | 66.5 Ų | 66.5 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 170.9 | -71.9 | -179.7 | -148.2 | 127.6 | -0.5 | 111.2 | S97 E98 L103 K104 T105 | S97-R101 WeakPolarHBondContact O-CG 3.44Å; S97-R101 PolarHBondContact O-N 2.87Å; E98-R101 PolarHBondContact O-N 3.33Å; R101-L103 PolarHBondContact O-N 3.3Å; R101-K104 WeakPolarHBondContact O-CB 3.29Å; R101-K104 PolarHBondContact O-N 2.92Å; R101-K104 VanDerWaalsContact O-N 3.14Å; R101-T105 PolarHBondContact O-N 2.95Å; R101-T105 PolarHBondContact O-OG1 3.09Å |
| 102 | N | 89.2 | Confident | 87.4 | Confident | 79 Ų | 79 | 72.2 Ų | 72.2 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 177.1 | -65.5 | -12.7 | 0 | 0 | 0 | 111.4 | L26 E98 E99 K104 T105 Y106 | L26-N102 HydrophobicContact CD2-CB 4.28Å; E98-N102 VanDerWaalsContact O-CG 3.3Å; E98-N102 PolarHBondContact O-N 2.88Å; E98-N102 PolarHBondContact O-OD1 3.35Å; E99-N102 WeakPolarHBondContact O-CB 3.37Å; E99-N102 PolarHBondContact O-N 2.88Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.38Å; N102-T105 CarbonylContact O-C 3.56Å; N102-T105 WeakPolarHBondContact O-CA 3.42Å; N102-T105 WeakPolarHBondContact O-CB 3.21Å; N102-T105 PolarHBondContact O-N 2.87Å; N102-Y106 HydrophobicContact CB-CD2 4.44Å; N102-Y106 HydrophobicContact CB-CE2 4.19Å; N102-Y106 WeakPolarHBondContact O-CD2 3.39Å; N102-Y106 PolarHBondContact O-N 2.85Å |
| 103 | L | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.6 | -40.1 | 173.7 | -74.5 | 169.2 | 0 | 0 | 0 | 112.5 | L26 F28 Y35 Y95 E99 A100 R101 Y106 G107 E108 L109 | L26-L103 HydrophobicContact CD1-CD2 4.4Å; L26-L103 HydrophobicContact CD1-CG 4.15Å; L26-L103 HydrophobicContact CD2-CD2 3.82Å; L26-L103 HydrophobicContact CD2-CG 4.06Å; L26-L103 HydrophobicContact CG-CD2 4.24Å; L26-L103 HydrophobicContact CG-CG 4.48Å; F28-L103 HydrophobicContact CD1-CD2 4.39Å; Y35-L103 HydrophobicContact CD1-CD1 4.38Å; Y35-L103 HydrophobicContact CE1-CD1 4.15Å; Y35-L103 HydrophobicContact CE1-CD2 3.97Å; Y95-L103 HydrophobicContact CD1-CD1 3.93Å; Y95-L103 HydrophobicContact CD2-CD1 3.94Å; Y95-L103 HydrophobicContact CE1-CD1 3.89Å; Y95-L103 HydrophobicContact CE2-CD1 3.92Å; Y95-L103 HydrophobicContact CG-CD1 3.93Å; E99-L103 WeakPolarHBondContact O-CG 3.45Å; E99-L103 PolarHBondContact O-N 2.89Å; A100-L103 PolarHBondContact O-N 3.18Å; R101-L103 PolarHBondContact O-N 3.3Å; L103-Y106 PolarHBondContact O-N 3.38Å; L103-G107 PolarHBondContact O-N 2.85Å; L103-E108 HydrophobicContact CD2-CB 4.05Å; L103-E108 HydrophobicContact CD2-CG 4.32Å; L103-E108 PolarHBondContact O-N 2.95Å; L103-E108 VanDerWaalsContact O-N 3.12Å; L103-L109 HydrophobicContact CB-CD1 3.67Å; L103-L109 HydrophobicContact CB-CG 3.97Å; L103-L109 HydrophobicContact CD1-CD1 4.18Å |
| 104 | K | 88.9 | Confident | 85.9 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 172.8 | 179.6 | 168 | 170.4 | 166.6 | 0 | 111.9 | A100 R101 N102 Y106 G107 E111 I115 | A100-K104 PolarHBondContact O-N 3.37Å; R101-K104 WeakPolarHBondContact O-CB 3.29Å; R101-K104 PolarHBondContact O-N 2.92Å; R101-K104 VanDerWaalsContact O-N 3.14Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.38Å; K104-Y106 VanDerWaalsContact C-N 3.35Å; K104-Y106 PolarHBondContact O-N 2.87Å; K104-G107 PolarHBondContact O-N 2.85Å; K104-E111 PolarHBondContact NZ-O 2.89Å; K104-I115 HydrophobicContact CB-CD1 4.07Å; K104-I115 HydrophobicContact CD-CD1 4.05Å |
| 105 | T | 88.2 | Confident | 85.1 | Confident | 120 Ų | 120 | 74.1 Ų | 74.1 | 74% | 0.736 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.8 | -32.8 | 174.1 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | R101 N102 G107 | R101-T105 PolarHBondContact O-N 2.95Å; R101-T105 PolarHBondContact O-OG1 3.09Å; N102-T105 CarbonylContact O-C 3.56Å; N102-T105 WeakPolarHBondContact O-CA 3.42Å; N102-T105 WeakPolarHBondContact O-CB 3.21Å; N102-T105 PolarHBondContact O-N 2.87Å; T105-G107 VanDerWaalsContact C-N 3.27Å; T105-G107 PolarHBondContact O-N 3.37Å |
| 106 | Y | 89.2 | Confident | 83.7 | Confident | 152 Ų | 152 | 78 Ų | 78 | 60% | 0.596 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -8.8 | 174.1 | -71.3 | -61.4 | 0 | 0 | 0 | 113.9 | L26 F28 N102 L103 K104 E108 | L26-Y106 HydrophobicContact CD2-CD2 3.68Å; L26-Y106 HydrophobicContact CD2-CE2 3.64Å; F28-Y106 HydrophobicContact CE1-CD2 4.06Å; F28-Y106 HydrophobicContact CE1-CG 4.21Å; F28-Y106 HydrophobicContact CZ-CD2 4.08Å; F28-Y106 HydrophobicContact CZ-CE2 4.2Å; F28-Y106 HydrophobicContact CZ-CG 4.38Å; N102-Y106 HydrophobicContact CB-CD2 4.44Å; N102-Y106 HydrophobicContact CB-CE2 4.19Å; N102-Y106 WeakPolarHBondContact O-CD2 3.39Å; N102-Y106 PolarHBondContact O-N 2.85Å; L103-Y106 PolarHBondContact O-N 3.38Å; K104-Y106 VanDerWaalsContact C-N 3.35Å; K104-Y106 PolarHBondContact O-N 2.87Å; Y106-E108 VanDerWaalsContact C-N 3.3Å |
| 107 | G | 87 | Confident | 82.2 | Confident | 62 Ų | 62 | 79.4 Ų | 79.4 | 64% | 0.639 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 9.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L103 K104 T105 L109 | L103-G107 PolarHBondContact O-N 2.85Å; K104-G107 PolarHBondContact O-N 2.85Å; T105-G107 VanDerWaalsContact C-N 3.27Å; T105-G107 PolarHBondContact O-N 3.37Å; G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 3.01Å |
| 108 | E | 83.7 | Confident | 80.1 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 34% | 0.336 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -73.5 | -21.3 | 178.8 | -74.2 | -72.3 | 133.8 | 0 | 0 | 113.1 | F28 Y35 L103 Y106 | F28-E108 HydrophobicContact CD1-CG 3.96Å; F28-E108 HydrophobicContact CE1-CG 4.12Å; Y35-E108 HydrophobicContact CE2-CB 3.81Å; Y35-E108 HydrophobicContact CE2-CG 4.46Å; Y35-E108 WeakPolarHBondContact CE2-OE2 3.07Å; Y35-E108 PolarHBondContact OH-OE2 2.9Å; L103-E108 HydrophobicContact CD2-CB 4.05Å; L103-E108 HydrophobicContact CD2-CG 4.32Å; L103-E108 PolarHBondContact O-N 2.95Å; L103-E108 VanDerWaalsContact O-N 3.12Å; Y106-E108 VanDerWaalsContact C-N 3.3Å |
| 109 | L | 82.6 | Confident | 77.8 | Confident | 5 Ų | 5 | 80.8 Ų | 80.8 | 3% | 0.026 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -120.8 | 139.8 | 177.3 | -63.4 | 177.5 | 0 | 0 | 0 | 109.9 | Y35 F52 I76 L103 G107 A113 | Y35-L109 HydrophobicContact CD2-CD2 3.72Å; Y35-L109 HydrophobicContact CG-CD2 3.74Å; F52-L109 HydrophobicContact CD2-CD2 3.68Å; F52-L109 HydrophobicContact CE2-CD2 3.55Å; F52-L109 HydrophobicContact CG-CD2 4.29Å; F52-L109 HydrophobicContact CZ-CD2 4.07Å; I76-L109 HydrophobicContact CG2-CD1 4.24Å; L103-L109 HydrophobicContact CB-CD1 3.67Å; L103-L109 HydrophobicContact CB-CG 3.97Å; L103-L109 HydrophobicContact CD1-CD1 4.18Å; G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 3.01Å; L109-A113 HydrophobicContact CB-CB 4.48Å |
| 110 | P | 81.7 | Confident | 75.3 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 38% | 0.383 | 44% | 0.443 | S | S | . | . | trans | -63.1 | 146 | 174.8 | 28.6 | -34.8 | 0 | 0 | 0 | 110.4 | F52 T112 A113 | F52-P110 VanDerWaalsContact CD1-CD 3.49Å; F52-P110 HydrophobicContact CD1-CG 3.48Å; F52-P110 VanDerWaalsContact CD1-CG 3.48Å; F52-P110 HydrophobicContact CE1-CG 3.74Å; F52-P110 HydrophobicContact CG-CG 4.5Å; P110-T112 PolarHBondContact O-N 2.74Å; P110-A113 VanDerWaalsContact O-CB 3.28Å; P110-A113 WeakPolarHBondContact O-CB 3.45Å; P110-A113 PolarHBondContact O-N 2.84Å | ||
| 111 | E | 74.6 | Confident | 72.9 | Confident | 164 Ų | 164 | 89.6 Ų | 89.6 | 77% | 0.766 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.6 | -176.3 | -63.9 | -172.4 | 163.1 | 0 | 0 | 113.6 | K104 A113 | K104-E111 PolarHBondContact NZ-O 2.89Å; E111-A113 PolarHBondContact O-N 2.7Å |
| 112 | T | 77.4 | Confident | 70.8 | Confident | 121 Ų | 121 | 89.8 Ų | 89.8 | 74% | 0.742 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9 | 175.6 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | P110 R114 | P110-T112 PolarHBondContact O-N 2.74Å; T112-R114 PolarHBondContact O-N 3.01Å; T112-R114 VanDerWaalsContact O-N 3.12Å |
| 113 | A | 76.9 | Confident | 68.5 | Low | 6 Ų | 6 | 93.6 Ų | 93.6 | 5% | 0.05 | 51% | 0.508 | C | S | . | . | trans | -64.2 | 109.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F52 L109 P110 E111 I115 | F52-A113 HydrophobicContact CE1-CB 3.85Å; F52-A113 HydrophobicContact CZ-CB 3.82Å; L109-A113 HydrophobicContact CB-CB 4.48Å; P110-A113 VanDerWaalsContact O-CB 3.28Å; P110-A113 WeakPolarHBondContact O-CB 3.45Å; P110-A113 PolarHBondContact O-N 2.84Å; E111-A113 PolarHBondContact O-N 2.7Å; A113-I115 PolarHBondContact O-N 2.66Å; A113-I115 VanDerWaalsContact O-N 3.13Å | ||
| 114 | R | 77.1 | Confident | 66.5 | Low | 159 Ų | 159 | 100.2 Ų | 100.2 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | trans | -74.6 | 95.7 | 175 | -68.2 | -177.9 | 178.5 | -129.1 | 11.2 | 110.2 | Q37 T112 N116 E117 | Q37-R114 PolarHBondContact NE2-O 3.16Å; T112-R114 PolarHBondContact O-N 3.01Å; T112-R114 VanDerWaalsContact O-N 3.12Å; R114-N116 PolarHBondContact O-N 2.96Å; R114-E117 VanDerWaalsContact CD-OE2 3.29Å; R114-E117 WeakPolarHBondContact CD-OE2 3.32Å; R114-E117 IonicContact CZ-OE2 2.7Å; R114-E117 IonicContact NE-OE2 2.84Å; R114-E117 IonicContact NH1-OE2 2.74Å; R114-E117 PolarHBondContact NH1-OE2 2.97Å | ||
| 115 | I | 76.7 | Confident | 64.4 | Low | 34 Ų | 34 | 103.7 Ų | 103.7 | 17% | 0.174 | 56% | 0.559 | C | S | . | * | trans | -84.1 | 95.6 | -177.3 | -61.2 | 159.5 | 0 | 0 | 0 | 109.5 | A100 K104 A113 E117 | A100-I115 HydrophobicContact CB-CD1 4.3Å; A100-I115 HydrophobicContact CB-CG1 4.22Å; A100-I115 HydrophobicContact CB-CG2 3.55Å; A100-I115 WeakPolarHBondContact O-CD1 3.19Å; K104-I115 HydrophobicContact CB-CD1 4.07Å; K104-I115 HydrophobicContact CD-CD1 4.05Å; A113-I115 PolarHBondContact O-N 2.66Å; A113-I115 VanDerWaalsContact O-N 3.13Å; I115-E117 PolarHBondContact O-N 2.84Å; I115-E117 VanDerWaalsContact O-N 3.15Å | ||
| 116 | N | 64.3 | Low | 62.4 | Low | 86 Ų | 86 | 100 Ų | 100 | 46% | 0.46 | 54% | 0.544 | S | S | . | . | trans | 43.5 | 51.5 | 174.5 | -165.7 | 39.5 | 0 | 0 | 0 | 112.7 | R114 G118 | R114-N116 PolarHBondContact O-N 2.96Å; N116-G118 PolarHBondContact O-N 3.06Å | ||
| 117 | E | 57.1 | Low | 60.8 | Low | 114 Ų | 114 | 99.1 Ų | 99.1 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | trans | -57.3 | 96.5 | 155 | -74.5 | 169.3 | -170.1 | 0 | 0 | 105.3 | R114 I115 T119 | R114-E117 VanDerWaalsContact CD-OE2 3.29Å; R114-E117 WeakPolarHBondContact CD-OE2 3.32Å; R114-E117 IonicContact CZ-OE2 2.7Å; R114-E117 IonicContact NE-OE2 2.84Å; R114-E117 IonicContact NH1-OE2 2.74Å; R114-E117 PolarHBondContact NH1-OE2 2.97Å; I115-E117 PolarHBondContact O-N 2.84Å; I115-E117 VanDerWaalsContact O-N 3.15Å; E117-T119 PolarHBondContact O-N 3.06Å | ||
| 118 | G | 43.1 | Very low | 59.1 | Low | 47 Ų | 47 | 105 Ų | 105 | 49% | 0.485 | 56% | 0.559 | S | S | . | * | trans | -56.5 | 131 | 176.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | N116 G120 | N116-G118 PolarHBondContact O-N 3.06Å; G118-G120 CarbonylContact O-C 3.19Å; G118-G120 PolarHBondContact O-N 3.45Å | ||
| 119 | T | 40 | Very low | 57.9 | Low | 145 Ų | 145 | 110.3 Ų | 110.3 | 89% | 0.89 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -74.5 | 34.6 | 170.2 | -26 | 0 | 0 | 0 | 0 | 110.8 | E117 | E117-T119 PolarHBondContact O-N 3.06Š|
| 120 | G | 38 | Very low | 56.2 | Low | 51 Ų | 51 | 112.6 Ų | 112.6 | 53% | 0.526 | 61% | 0.606 | S | S | . | * | trans | -77.3 | 76.8 | 130.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | G118 D122 | G118-G120 CarbonylContact O-C 3.19Å; G118-G120 PolarHBondContact O-N 3.45Å; G120-D122 VanDerWaalsContact C-N 3.27Å; G120-D122 PolarHBondContact O-N 3.06Å | ||
| 121 | E | 37.5 | Very low | 54.6 | Low | 175 Ų | 175 | 117.5 Ų | 117.5 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | -56.1 | 118 | 117.9 | -80.9 | -180 | 172.5 | 0 | 0 | 102.9 | E123 | E121-E123 PolarHBondContact O-N 2.87Š| |||
| 122 | D | 44.7 | Very low | 53.5 | Low | 150 Ų | 150 | 116 Ų | 116 | 80% | 0.802 | 63% | 0.632 | S | S | * | * | trans | -60.2 | 93.1 | 177.1 | -58.6 | -70.5 | 0 | 0 | 0 | 106.8 | G120 D124 | G120-D122 VanDerWaalsContact C-N 3.27Å; G120-D122 PolarHBondContact O-N 3.06Å; D122-D124 PolarHBondContact O-N 3.24Å | ||
| 123 | E | 39.4 | Very low | 51.9 | Low | 159 Ų | 159 | 113.1 Ų | 113.1 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | -57.2 | 74.6 | 131.5 | -78.8 | -166.7 | 178.3 | 0 | 0 | 106 | E121 F125 | E121-E123 PolarHBondContact O-N 2.87Å; E123-F125 HydrophobicContact CB-CD2 4.1Å; E123-F125 HydrophobicContact CG-CD2 4.39Å; E123-F125 PolarHBondContact O-N 2.66Å; E123-F125 WeakPolarHBondContact OE2-CD2 3.47Å; E123-F125 WeakPolarHBondContact OE2-CE2 3.5Å | ||
| 124 | D | 47.7 | Very low | 50.5 | Low | 138 Ų | 138 | 122.1 Ų | 122.1 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | trans | -54.8 | 64.5 | 134.8 | -165.1 | 38.5 | 0 | 0 | 0 | 107.5 | D122 G126 | D122-D124 PolarHBondContact O-N 3.24Å; D124-G126 PolarHBondContact O-N 3.4Å; D124-G126 VanDerWaalsContact OD1-CA 3.26Å; D124-G126 WeakPolarHBondContact OD1-CA 3.42Å; D124-G126 PolarHBondContact OD1-N 2.67Å; D124-G126 VanDerWaalsContact OD1-N 3.13Å | ||
| 125 | F | 45.1 | Very low | 49.1 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 70% | 0.697 | 67% | 0.671 | S | S | * | * | -59.5 | 66.9 | 125.7 | -85.7 | -74 | 0 | 0 | 0 | 106.8 | E123 I127 | E123-F125 HydrophobicContact CB-CD2 4.1Å; E123-F125 HydrophobicContact CG-CD2 4.39Å; E123-F125 PolarHBondContact O-N 2.66Å; E123-F125 WeakPolarHBondContact OE2-CD2 3.47Å; E123-F125 WeakPolarHBondContact OE2-CE2 3.5Å; F125-I127 PolarHBondContact O-N 2.7Å | |||
| 126 | G | 46.5 | Very low | 47.4 | Very low | 41 Ų | 41 | 125.6 Ų | 125.6 | 42% | 0.423 | 70% | 0.704 | S | S | . | * | trans | -53.2 | 103.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 103.4 | D124 E128 | D124-G126 PolarHBondContact O-N 3.4Å; D124-G126 VanDerWaalsContact OD1-CA 3.26Å; D124-G126 WeakPolarHBondContact OD1-CA 3.42Å; D124-G126 PolarHBondContact OD1-N 2.67Å; D124-G126 VanDerWaalsContact OD1-N 3.13Å; G126-E128 PolarHBondContact O-N 2.79Å | ||
| 127 | I | 56.5 | Low | 46.7 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | -67 | 85.4 | 164.6 | -59.1 | 174.6 | 0 | 0 | 0 | 103 | F125 F129 | F125-I127 PolarHBondContact O-N 2.7Å; I127-F129 HydrophobicContact CB-CD2 4.45Å; I127-F129 HydrophobicContact CG2-CD2 3.77Å; I127-F129 HydrophobicContact CG2-CE2 3.82Å; I127-F129 PolarHBondContact O-N 3.21Å | ||
| 128 | E | 50.7 | Low | 46.1 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -56.8 | 98.8 | 162.7 | -172.8 | 172.5 | -152.5 | 0 | 0 | 104.1 | G126 G130 | G126-E128 PolarHBondContact O-N 2.79Å; E128-G130 PolarHBondContact O-N 2.93Å | ||
| 129 | F | 57.9 | Low | 46.2 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | trans | -66.4 | 83.9 | 170.5 | -98.8 | -96.1 | 0 | 0 | 0 | 105.6 | I127 D131 | I127-F129 HydrophobicContact CB-CD2 4.45Å; I127-F129 HydrophobicContact CG2-CD2 3.77Å; I127-F129 HydrophobicContact CG2-CE2 3.82Å; I127-F129 PolarHBondContact O-N 3.21Å; F129-D131 PolarHBondContact O-N 3.14Å | ||
| 130 | G | 46.9 | Very low | 46.9 | Very low | 53 Ų | 53 | 136.8 Ų | 136.8 | 55% | 0.546 | 75% | 0.747 | S | S | . | * | trans | -56.8 | 104.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107 | E128 T132 | E128-G130 PolarHBondContact O-N 2.93Å; G130-T132 PolarHBondContact O-N 2.95Å; G130-T132 PolarHBondContact O-OG1 3.06Å | ||
| 131 | D | 47.7 | Very low | 47.4 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | trans | -68.5 | 77.3 | 178.6 | -175.9 | 25.3 | 0 | 0 | 0 | 109 | F129 | F129-D131 PolarHBondContact O-N 3.14Š| ||
| 132 | T | 51.7 | Low | 48.1 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -111.7 | 69 | -175.7 | -49 | 0 | 0 | 0 | 0 | 109.1 | G130 | G130-T132 PolarHBondContact O-N 2.95Å; G130-T132 PolarHBondContact O-OG1 3.06Å | ||
| 133 | G | 43.9 | Very low | 48.5 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | 68.4 | 89.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 134 | Q | 47.2 | Very low | 49.5 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -131.9 | 109.8 | 141.5 | -69.6 | -166.9 | 15.7 | 0 | 0 | 111.9 | ||||
| 135 | A | 49.2 | Very low | 50 | Low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | trans | 75 | 112.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 136 | E | 39.3 | Very low | 50.6 | Low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | 57.5 | 93.6 | 137.8 | -43.8 | -57.3 | 111.9 | 0 | 0 | 118.9 | ||||
| 137 | L | 49.8 | Very low | 51.2 | Low | 183 Ų | 183 | 144.3 Ų | 144.3 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -136.1 | 117.2 | 156.7 | -106.4 | 155.4 | 0 | 0 | 0 | 109.7 | ||||
| 138 | S | 45.6 | Very low | 51.3 | Low | 93 Ų | 93 | 144 Ų | 144 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -89.4 | 158.2 | -170.7 | 70.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 139 | D | 45.2 | Very low | 51.7 | Low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 62.9 | 104.1 | 154.3 | -42.9 | -41.3 | 0 | 0 | 0 | 118.9 | ||||
| 140 | K | 53.8 | Low | 51.8 | Low | 211 Ų | 211 | 135.1 Ų | 135.1 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -153.1 | 131.2 | 135.2 | -105.4 | 144.1 | -168.1 | 168.2 | 0 | 111.4 | ||||
| 141 | E | 50 | Low | 52.5 | Low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -85 | 173.9 | -178 | -63.5 | 165 | 117.2 | 0 | 0 | 112.1 | ||||
| 142 | E | 52.1 | Low | 53.1 | Low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | 67.9 | 139.4 | 163.9 | -62.3 | 160.4 | -158.8 | 0 | 0 | 115.4 | ||||
| 143 | D | 51.8 | Low | 53.3 | Low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | cis | -163.6 | 161.7 | 2.5 | -122 | 21.2 | 0 | 0 | 0 | 107.1 | ||||
| 144 | A | 60.4 | Low | 54.1 | Low | 69 Ų | 69 | 141.7 Ų | 141.7 | 57% | 0.57 | 77% | 0.768 | S | S | * | * | cis | -172.5 | -166.9 | -12.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 145 | I | 58.9 | Low | 54.8 | Low | 154 Ų | 154 | 142.5 Ų | 142.5 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | 81.2 | 86.6 | 159.5 | -54.8 | 155 | 0 | 0 | 0 | 117.2 | ||||
| 146 | D | 57.2 | Low | 55.3 | Low | 152 Ų | 152 | 147.2 Ų | 147.2 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | 35.4 | 155.4 | 110.3 | -61 | -35.8 | 0 | 0 | 0 | 124 | |||||
| 147 | D | 60.6 | Low | 56.1 | Low | 160 Ų | 160 | 153.5 Ų | 153.5 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | 82.2 | 130.2 | 160.2 | -131.9 | 51.4 | 0 | 0 | 0 | 116.9 | ||||
| 148 | D | 57.8 | Low | 56.4 | Low | 128 Ų | 128 | 152 Ų | 152 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | cis | -149.8 | 173.7 | -7.9 | -178 | 35.2 | 0 | 0 | 0 | 110.2 | ||||
| 149 | S | 58.9 | Low | 57 | Low | 91 Ų | 91 | 155.1 Ų | 155.1 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | -41.6 | 177 | 165.5 | 80.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 150 | S | 60.5 | Low | 57.7 | Low | 90 Ų | 90 | 155.9 Ų | 155.9 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | cis | -164.1 | 162.9 | 11.7 | 175.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 151 | S | 61.2 | Low | 57.9 | Low | 94 Ų | 94 | 152.7 Ų | 152.7 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | 64.6 | 150.6 | 149.1 | 37.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 152 | E | 60.7 | Low | 58.4 | Low | 181 Ų | 181 | 151.5 Ų | 151.5 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | cis | -149.1 | 164.5 | 7 | -131.8 | 160.5 | 167.4 | 0 | 0 | 112.1 | ||||
| 153 | S | 56 | Low | 58.8 | Low | 93 Ų | 93 | 150.2 Ų | 150.2 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -74.7 | 158.2 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 154 | E | 61 | Low | 59.3 | Low | 180 Ų | 180 | 149.9 Ų | 149.9 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | -174.1 | 112.8 | 126.5 | -101 | 178.3 | -172 | 0 | 0 | 108.2 | |||||
| 155 | Y | 61.1 | Low | 59.2 | Low | 211 Ų | 211 | 156.2 Ų | 156.2 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | 91.2 | 141.4 | 85.4 | -106.2 | -78.6 | 0 | 0 | 0 | 114.6 | |||||
| 156 | E | 59.1 | Low | 59.2 | Low | 181 Ų | 181 | 156.3 Ų | 156.3 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -67.5 | 149.2 | -167.2 | -60.2 | 173.3 | 112.4 | 0 | 0 | 115.3 | ||||
| 157 | R | 57 | Low | 59.4 | Low | 315 Ų | 315 | 156.7 Ų | 156.7 | 100% | 1.189 | 79% | 0.787 | S | S | * | * | trans | -151.6 | 0 | 130.3 | -148.5 | 178.1 | -163.5 | 161.9 | 8.4 | 112.8 |
Retrieved 157 of 157 residues in 348.1 ms
(Link to these results)