| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.5 | Very low | 39 | Very low | 212 Ų | 212 | 99.3 Ų | 99.3 | 100% | 1.044 | 51% | 0.511 | S | S | * | . | 0 | 7.4 | 0 | -96.1 | 167.4 | 50 | 0 | 0 | 115.1 | S4 | M1-S4 PolarHBondContact O-OG 2.64Š| |||
| 2 | L | 27 | Very low | 39.1 | Very low | 105 Ų | 105 | 98.2 Ų | 98.2 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -85.1 | -26.7 | -179.4 | -79.8 | 137.8 | 0 | 0 | 0 | 115.7 | S4 E5 L6 T124 | L2-S4 PolarHBondContact O-N 3.5Å; L2-E5 PolarHBondContact O-N 2.84Å; L2-E5 VanDerWaalsContact O-N 3.15Å; L2-L6 PolarHBondContact O-N 3.18Å; L2-L6 VanDerWaalsContact O-N 3.15Å; L2-T124 HydrophobicContact CD1-CG2 3.28Å; L2-T124 HydrophobicContact CD2-CG2 3.71Å; L2-T124 HydrophobicContact CG-CG2 4.1Å |
| 3 | A | 30.2 | Very low | 38.8 | Very low | 80 Ų | 80 | 95.9 Ų | 95.9 | 66% | 0.661 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.2 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E7 | A3-E7 WeakPolarHBondContact O-CB 3.27Å; A3-E7 PolarHBondContact O-N 2.78Å |
| 4 | S | 37 | Very low | 38.5 | Very low | 70 Ų | 70 | 92.6 Ų | 92.6 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72 | -33.6 | 177.6 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | M1 L2 R8 | M1-S4 PolarHBondContact O-OG 2.64Å; L2-S4 PolarHBondContact O-N 3.5Å; S4-R8 VanDerWaalsContact O-CB 3.22Å; S4-R8 WeakPolarHBondContact O-CB 3.48Å; S4-R8 PolarHBondContact O-N 2.9Å |
| 5 | E | 40.3 | Very low | 38.2 | Very low | 93 Ų | 93 | 90.1 Ų | 90.1 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.2 | -47.3 | -178.8 | -146.1 | 87.7 | -136.9 | 0 | 0 | 111.2 | L2 R8 L9 | L2-E5 PolarHBondContact O-N 2.84Å; L2-E5 VanDerWaalsContact O-N 3.15Å; E5-R8 WeakPolarHBondContact O-CB 3.41Å; E5-R8 PolarHBondContact O-N 2.97Å; E5-R8 IonicContact OE1-CZ 3.51Å; E5-R8 IonicContact OE1-NE 3.82Å; E5-R8 IonicContact OE1-NH2 2.74Å; E5-R8 PolarHBondContact OE1-NH2 3.41Å; E5-L9 WeakPolarHBondContact O-CG 3.45Å; E5-L9 PolarHBondContact O-N 2.82Å |
| 6 | L | 40.8 | Very low | 38.2 | Very low | 87 Ų | 87 | 91.1 Ų | 91.1 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.3 | -178.4 | 63.4 | 0 | 0 | 0 | 110.8 | L2 R8 L9 L10 | L2-L6 PolarHBondContact O-N 3.18Å; L2-L6 VanDerWaalsContact O-N 3.15Å; L6-R8 VanDerWaalsContact C-N 3.3Å; L6-R8 PolarHBondContact O-N 2.81Å; L6-L9 PolarHBondContact O-N 2.76Å; L6-L10 HydrophobicContact CD1-CD1 4.23Å; L6-L10 HydrophobicContact CD1-CG 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.93Å; L6-L10 HydrophobicContact CG-CG 4.39Å; L6-L10 WeakPolarHBondContact O-CB 3.24Å; L6-L10 WeakPolarHBondContact O-CG 2.95Å; L6-L10 PolarHBondContact O-N 3.47Å |
| 7 | E | 43.4 | Very low | 37.9 | Very low | 54 Ų | 54 | 98.7 Ų | 98.7 | 25% | 0.252 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -40 | 172 | 172.5 | 167.2 | -174.6 | 0 | 0 | 111.8 | A3 K11 W16 P18 | A3-E7 WeakPolarHBondContact O-CB 3.27Å; A3-E7 PolarHBondContact O-N 2.78Å; E7-K11 HydrophobicContact CG-CD 3.99Å; E7-K11 VanDerWaalsContact O-CB 3.25Å; E7-K11 WeakPolarHBondContact O-CB 3.44Å; E7-K11 VanDerWaalsContact O-CG 3.23Å; E7-K11 WeakPolarHBondContact O-CG 3.45Å; E7-K11 PolarHBondContact O-N 3.19Å; E7-K11 WeakPolarHBondContact OE1-CE 3.5Å; E7-K11 IonicContact OE1-NZ 2.63Å; E7-K11 PolarHBondContact OE1-NZ 2.91Å; E7-W16 HydrophobicContact CB-CZ3 4.12Å; E7-W16 HydrophobicContact CG-CE3 4.06Å; E7-W16 HydrophobicContact CG-CZ3 3.6Å; E7-P18 WeakPolarHBondContact OE1-CG 3.49Å |
| 8 | R | 46.6 | Very low | 37.7 | Very low | 158 Ų | 158 | 96 Ų | 96 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 174.6 | -174.9 | 178.6 | 70 | 148.4 | -3.1 | 111.5 | S4 E5 L6 K11 A12 | S4-R8 VanDerWaalsContact O-CB 3.22Å; S4-R8 WeakPolarHBondContact O-CB 3.48Å; S4-R8 PolarHBondContact O-N 2.9Å; E5-R8 WeakPolarHBondContact O-CB 3.41Å; E5-R8 PolarHBondContact O-N 2.97Å; E5-R8 IonicContact OE1-CZ 3.51Å; E5-R8 IonicContact OE1-NE 3.82Å; E5-R8 IonicContact OE1-NH2 2.74Å; E5-R8 PolarHBondContact OE1-NH2 3.41Å; L6-R8 VanDerWaalsContact C-N 3.3Å; L6-R8 PolarHBondContact O-N 2.81Å; R8-K11 PolarHBondContact O-N 2.91Å; R8-A12 VanDerWaalsContact O-CB 3.29Å; R8-A12 WeakPolarHBondContact O-CB 3.15Å; R8-A12 PolarHBondContact O-N 2.91Å |
| 9 | L | 41.2 | Very low | 37.3 | Very low | 98 Ų | 98 | 97.5 Ų | 97.5 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 178.3 | -74.5 | 169.4 | 0 | 0 | 0 | 112.2 | E5 L6 A12 S13 | E5-L9 WeakPolarHBondContact O-CG 3.45Å; E5-L9 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 2.76Å; L9-A12 PolarHBondContact O-N 3.04Å; L9-S13 WeakPolarHBondContact O-CB 3.32Å; L9-S13 PolarHBondContact O-N 2.7Å; L9-S13 PolarHBondContact O-OG 2.82Å |
| 10 | L | 40.9 | Very low | 36.7 | Very low | 37 Ų | 37 | 104.6 Ų | 104.6 | 19% | 0.194 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -69.2 | -39.3 | 176 | -69 | 171.5 | 0 | 0 | 0 | 111.7 | L6 C14 G15 W16 | L6-L10 HydrophobicContact CD1-CD1 4.23Å; L6-L10 HydrophobicContact CD1-CG 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.93Å; L6-L10 HydrophobicContact CG-CG 4.39Å; L6-L10 WeakPolarHBondContact O-CB 3.24Å; L6-L10 WeakPolarHBondContact O-CG 2.95Å; L6-L10 PolarHBondContact O-N 3.47Å; L10-C14 PolarHBondContact O-N 3.45Å; L10-C14 PolarHBondContact O-SG 2.94Å; L10-G15 PolarHBondContact O-N 3.42Å; L10-W16 HydrophobicContact CB-CB 3.69Å; L10-W16 HydrophobicContact CB-CD2 4.31Å; L10-W16 HydrophobicContact CB-CG 3.95Å; L10-W16 HydrophobicContact CD1-CD2 4.43Å; L10-W16 HydrophobicContact CD1-CG 4.48Å; L10-W16 PolarHBondContact O-N 3.34Å |
| 11 | K | 44.8 | Very low | 36.3 | Very low | 98 Ų | 98 | 107.7 Ų | 107.7 | 43% | 0.426 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 172.3 | -82.4 | 171.8 | -176.6 | 173.6 | 0 | 111.8 | E7 R8 G15 W16 | E7-K11 HydrophobicContact CG-CD 3.99Å; E7-K11 VanDerWaalsContact O-CB 3.25Å; E7-K11 WeakPolarHBondContact O-CB 3.44Å; E7-K11 VanDerWaalsContact O-CG 3.23Å; E7-K11 WeakPolarHBondContact O-CG 3.45Å; E7-K11 PolarHBondContact O-N 3.19Å; E7-K11 WeakPolarHBondContact OE1-CE 3.5Å; E7-K11 IonicContact OE1-NZ 2.63Å; E7-K11 PolarHBondContact OE1-NZ 2.91Å; R8-K11 PolarHBondContact O-N 2.91Å; K11-G15 WeakPolarHBondContact O-CA 3.43Å; K11-G15 PolarHBondContact O-N 3.23Å; K11-G15 VanDerWaalsContact O-N 3.13Å; K11-W16 WeakPolarHBondContact CG-O 3.41Å |
| 12 | A | 40.9 | Very low | 35.8 | Very low | 86 Ų | 86 | 107 Ų | 107 | 71% | 0.711 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.2 | -35.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R8 L9 | R8-A12 VanDerWaalsContact O-CB 3.29Å; R8-A12 WeakPolarHBondContact O-CB 3.15Å; R8-A12 PolarHBondContact O-N 2.91Å; L9-A12 PolarHBondContact O-N 3.04Å |
| 13 | S | 34.6 | Very low | 35.9 | Very low | 69 Ų | 69 | 110.3 Ų | 110.3 | 48% | 0.483 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -89.4 | -32.4 | -173.2 | -54.8 | 0 | 0 | 0 | 0 | 114 | L9 | L9-S13 WeakPolarHBondContact O-CB 3.32Å; L9-S13 PolarHBondContact O-N 2.7Å; L9-S13 PolarHBondContact O-OG 2.82Å |
| 14 | C | 34.5 | Very low | 35.8 | Very low | 50 Ų | 50 | 111.7 Ų | 111.7 | 34% | 0.338 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -145.6 | 13.9 | -171 | 61.2 | 0 | 0 | 0 | 0 | 115.3 | L10 W16 V183 | L10-C14 PolarHBondContact O-N 3.45Å; L10-C14 PolarHBondContact O-SG 2.94Å; C14-W16 PolarHBondContact O-N 3.38Å; C14-V183 HydrophobicContact CB-CB 4.35Å; C14-V183 HydrophobicContact CB-CG1 3.95Å; C14-V183 HydrophobicContact CB-CG2 3.81Å |
| 15 | G | 34.5 | Very low | 35.3 | Very low | 54 Ų | 54 | 113.3 Ų | 113.3 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | trans | 66.6 | 22.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L10 K11 R17 | L10-G15 PolarHBondContact O-N 3.42Å; K11-G15 WeakPolarHBondContact O-CA 3.43Å; K11-G15 PolarHBondContact O-N 3.23Å; K11-G15 VanDerWaalsContact O-N 3.13Å; G15-R17 PolarHBondContact O-N 3.06Å | ||
| 16 | W | 38.3 | Very low | 34.8 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 40% | 0.402 | 58% | 0.578 | S | S | . | * | trans | -55.1 | 132.4 | -179.7 | -174.5 | 88.4 | 0 | 0 | 0 | 112 | E7 L10 K11 C14 P18 | E7-W16 HydrophobicContact CB-CZ3 4.12Å; E7-W16 HydrophobicContact CG-CE3 4.06Å; E7-W16 HydrophobicContact CG-CZ3 3.6Å; L10-W16 HydrophobicContact CB-CB 3.69Å; L10-W16 HydrophobicContact CB-CD2 4.31Å; L10-W16 HydrophobicContact CB-CG 3.95Å; L10-W16 HydrophobicContact CD1-CD2 4.43Å; L10-W16 HydrophobicContact CD1-CG 4.48Å; L10-W16 PolarHBondContact O-N 3.34Å; K11-W16 WeakPolarHBondContact CG-O 3.41Å; C14-W16 PolarHBondContact O-N 3.38Å; W16-P18 HydrophobicContact CH2-CB 3.67Å; W16-P18 HydrophobicContact CH2-CG 4.47Å; W16-P18 HydrophobicContact CZ3-CB 3.73Å; W16-P18 HydrophobicContact CZ3-CG 4.04Å | ||
| 17 | R | 32 | Very low | 34.1 | Very low | 221 Ų | 221 | 117.9 Ų | 117.9 | 83% | 0.834 | 60% | 0.598 | S | S | * | * | trans | -122.3 | 128.4 | 174.8 | -63.3 | -168.2 | -175.2 | -140.7 | 1.7 | 110.5 | G15 | G15-R17 PolarHBondContact O-N 3.06Š| ||
| 18 | P | 34.6 | Very low | 33.3 | Very low | 50 Ų | 50 | 119.5 Ų | 119.5 | 33% | 0.325 | 62% | 0.615 | S | S | . | * | trans | -67.5 | 134.8 | 173.3 | 28.8 | -34.4 | 0 | 0 | 0 | 110 | E7 W16 R20 | E7-P18 WeakPolarHBondContact OE1-CG 3.49Å; W16-P18 HydrophobicContact CH2-CB 3.67Å; W16-P18 HydrophobicContact CH2-CG 4.47Å; W16-P18 HydrophobicContact CZ3-CB 3.73Å; W16-P18 HydrophobicContact CZ3-CG 4.04Å; P18-R20 PolarHBondContact O-N 3.46Å; P18-R20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | I | 30.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 117 Ų | 117 | 64% | 0.641 | 62% | 0.617 | S | S | * | * | trans | -74.7 | 98.2 | 166.2 | -60.2 | 175 | 0 | 0 | 0 | 106.8 | K21 | I19-K21 PolarHBondContact O-N 3.4Š| ||
| 20 | R | 25.5 | Very low | 31.5 | Very low | 239 Ų | 239 | 118.3 Ų | 118.3 | 90% | 0.902 | 63% | 0.631 | S | S | * | * | trans | -68.5 | 95.3 | 168.1 | -76.6 | -171.6 | 178.5 | -166.1 | 0.1 | 108.5 | P18 | P18-R20 PolarHBondContact O-N 3.46Å; P18-R20 VanDerWaalsContact O-N 3.09Å | ||
| 21 | K | 29.4 | Very low | 30.8 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 74% | 0.739 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 126.7 | 150.9 | -99.8 | -176.5 | 172.3 | -177.8 | 0 | 106.6 | I19 W23 | I19-K21 PolarHBondContact O-N 3.4Å; K21-W23 VanDerWaalsContact O-CD1 3.28Å; K21-W23 PolarHBondContact O-N 2.78Å |
| 22 | E | 25.9 | Very low | 29.8 | Very low | 198 Ų | 198 | 120.9 Ų | 120.9 | 93% | 0.925 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 118.8 | 169.9 | -69.6 | 175.1 | 165.2 | 0 | 0 | 108.5 | ||
| 23 | W | 28.8 | Very low | 29 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 66% | 0.655 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 118.1 | 172.5 | -82.6 | 41.4 | 0 | 0 | 0 | 107.3 | K21 S25 L33 | K21-W23 VanDerWaalsContact O-CD1 3.28Å; K21-W23 PolarHBondContact O-N 2.78Å; W23-S25 PolarHBondContact O-N 2.84Å; W23-L33 HydrophobicContact CH2-CD2 4.3Å |
| 24 | S | 27.5 | Very low | 28.5 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 121.9 | 168.7 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | T26 | S24-T26 PolarHBondContact O-N 3.4Š|
| 25 | S | 26.8 | Very low | 28 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -76.6 | 92.3 | -177 | 54 | 0 | 0 | 0 | 0 | 110.8 | W23 | W23-S25 PolarHBondContact O-N 2.84Š| ||
| 26 | T | 29.7 | Very low | 27.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -134.2 | -5.3 | 165 | 43.3 | 0 | 0 | 0 | 0 | 115.6 | S24 | S24-T26 PolarHBondContact O-N 3.4Š|
| 27 | N | 26 | Very low | 26.8 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -155.4 | 26.4 | -175.4 | -84.1 | -48.5 | 0 | 0 | 0 | 117.1 | ||
| 28 | S | 27.4 | Very low | 26.4 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | trans | -103 | 113.6 | -175.9 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 29 | V | 24.4 | Very low | 26 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | trans | -62.1 | 130.6 | 160.1 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | G31 | V29-G31 PolarHBondContact O-N 3.18Š| ||
| 30 | P | 24.4 | Very low | 25.7 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 124.7 | 176.4 | -16.1 | 28.8 | 0 | 0 | 0 | 110.2 | ||
| 31 | G | 25.8 | Very low | 25.7 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 88% | 0.876 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.1 | 4.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | V29 | V29-G31 PolarHBondContact O-N 3.18Š|
| 32 | V | 24.3 | Very low | 25.5 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | trans | -126 | 115.2 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | P34 | V32-P34 WeakPolarHBondContact O-CD 3.47Š| ||
| 33 | L | 25 | Very low | 25.5 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | -80.2 | 109 | 167.7 | -90.6 | 159.7 | 0 | 0 | 0 | 108.7 | W23 L35 | W23-L33 HydrophobicContact CH2-CD2 4.3Å; L33-L35 PolarHBondContact O-N 3.44Å | ||
| 34 | P | 23.4 | Very low | 25.3 | Very low | 85 Ų | 85 | 131 Ų | 131 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | trans | -73.5 | 112.6 | 175.8 | 29.2 | -31.8 | 0 | 0 | 0 | 109.8 | V32 R36 | V32-P34 WeakPolarHBondContact O-CD 3.47Å; P34-R36 VanDerWaalsContact C-N 3.3Å; P34-R36 PolarHBondContact O-N 3.14Å | ||
| 35 | L | 24.3 | Very low | 25.2 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 94% | 0.942 | 74% | 0.738 | S | S | * | * | trans | -66 | 84.2 | 170.2 | -74.6 | 163.1 | 0 | 0 | 0 | 110.1 | L33 | L33-L35 PolarHBondContact O-N 3.44Š| ||
| 36 | R | 23.6 | Very low | 25.3 | Very low | 207 Ų | 207 | 128 Ų | 128 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | -89.2 | 137.3 | 172.7 | -80 | -161.8 | 175.2 | -161.1 | 1.5 | 112.4 | P34 N38 W39 | P34-R36 VanDerWaalsContact C-N 3.3Å; P34-R36 PolarHBondContact O-N 3.14Å; R36-N38 VanDerWaalsContact C-N 3.33Å; R36-N38 PolarHBondContact O-N 3.07Å; R36-W39 VanDerWaalsContact O-CD1 3.29Å | ||
| 37 | R | 23.1 | Very low | 25.1 | Very low | 243 Ų | 243 | 125.8 Ų | 125.8 | 92% | 0.917 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -62.6 | 14.5 | -163.8 | -76.2 | 178.7 | 171.2 | 177.1 | -3 | 119.8 | ||
| 38 | N | 24.1 | Very low | 25.2 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | trans | -145.2 | 62.6 | -169.6 | -74.8 | -34.2 | 0 | 0 | 0 | 115.1 | R36 | R36-N38 VanDerWaalsContact C-N 3.33Å; R36-N38 PolarHBondContact O-N 3.07Å | ||
| 39 | W | 26.5 | Very low | 25.2 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 122.3 | 178.4 | -73.1 | 49.1 | 0 | 0 | 0 | 113 | R36 F47 | R36-W39 VanDerWaalsContact O-CD1 3.29Å; W39-F47 HydrophobicContact CB-CD1 3.31Å; W39-F47 HydrophobicContact CB-CE1 3.64Å; W39-F47 HydrophobicContact CB-CG 4.43Å; W39-F47 HydrophobicContact CD2-CD1 4.39Å; W39-F47 HydrophobicContact CD2-CE1 4.23Å; W39-F47 AromaticContact CE3-CD1 3.9Å; W39-F47 HydrophobicContact CE3-CD1 3.9Å; W39-F47 AromaticContact CE3-CE1 3.55Å; W39-F47 HydrophobicContact CE3-CE1 3.55Å; W39-F47 HydrophobicContact CG-CD1 4.24Å; W39-F47 HydrophobicContact CG-CE1 4.35Å |
| 40 | K | 24.5 | Very low | 25.2 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 139.7 | -178.8 | -74.8 | -179.4 | 174.5 | 179.6 | 0 | 111.2 | F47 | K40-F47 VanDerWaalsContact O-CE1 3.27Å; K40-F47 WeakPolarHBondContact O-CE1 3.49Å; K40-F47 WeakPolarHBondContact O-CZ 3.4Å |
| 41 | C | 24.8 | Very low | 25.4 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.9 | -179.7 | -67 | 0 | 0 | 0 | 0 | 115.3 | F47 | C41-F47 HydrophobicContact CB-CD2 4.12Å; C41-F47 HydrophobicContact CB-CE2 4.1Å; C41-F47 WeakPolarHBondContact SG-CD2 3.49Å |
| 42 | S | 25.6 | Very low | 25.5 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 51% | 0.51 | 69% | 0.693 | S | S | . | * | trans | -108.5 | 162.4 | 154.5 | 75.1 | 0 | 0 | 0 | 0 | 109.6 | A44 | S42-A44 PolarHBondContact O-N 3.05Š| ||
| 43 | A | 24.8 | Very low | 25.7 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 97% | 0.967 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 18.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 44 | A | 25 | Very low | 25.7 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 13.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | S42 | S42-A44 PolarHBondContact O-N 3.05Š|
| 45 | G | 26.8 | Very low | 25.8 | Very low | 51 Ų | 51 | 126.5 Ų | 126.5 | 53% | 0.526 | 69% | 0.693 | S | S | . | * | trans | 118.5 | 151.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 46 | C | 27.5 | Very low | 25.8 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 68% | 0.676 | 69% | 0.694 | S | S | * | * | trans | -91.2 | 167.1 | -143.5 | -65.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 47 | F | 26.1 | Very low | 26 | Very low | 67 Ų | 67 | 126.2 Ų | 126.2 | 29% | 0.294 | 69% | 0.692 | S | S | . | * | trans | -112.5 | 156 | -168.1 | -66 | -101.8 | 0 | 0 | 0 | 111.9 | W39 K40 C41 | W39-F47 HydrophobicContact CB-CD1 3.31Å; W39-F47 HydrophobicContact CB-CE1 3.64Å; W39-F47 HydrophobicContact CB-CG 4.43Å; W39-F47 HydrophobicContact CD2-CD1 4.39Å; W39-F47 HydrophobicContact CD2-CE1 4.23Å; W39-F47 AromaticContact CE3-CD1 3.9Å; W39-F47 HydrophobicContact CE3-CD1 3.9Å; W39-F47 AromaticContact CE3-CE1 3.55Å; W39-F47 HydrophobicContact CE3-CE1 3.55Å; W39-F47 HydrophobicContact CG-CD1 4.24Å; W39-F47 HydrophobicContact CG-CE1 4.35Å; K40-F47 VanDerWaalsContact O-CE1 3.27Å; K40-F47 WeakPolarHBondContact O-CE1 3.49Å; K40-F47 WeakPolarHBondContact O-CZ 3.4Å; C41-F47 HydrophobicContact CB-CD2 4.12Å; C41-F47 HydrophobicContact CB-CE2 4.1Å; C41-F47 WeakPolarHBondContact SG-CD2 3.49Å | ||
| 48 | F | 27.2 | Very low | 26 | Very low | 136 Ų | 136 | 119.8 Ų | 119.8 | 60% | 0.596 | 69% | 0.685 | S | S | * | * | trans | -86.4 | 136.8 | 172.7 | -97.4 | -81.8 | 0 | 0 | 0 | 113 | N73 | F48-N73 HydrophobicContact CD1-CB 4.28Å; F48-N73 HydrophobicContact CE1-CB 3.16Å; F48-N73 HydrophobicContact CZ-CB 3.32Å | ||
| 49 | R | 27.4 | Very low | 26.1 | Very low | 165 Ų | 165 | 118.9 Ų | 118.9 | 62% | 0.623 | 69% | 0.685 | S | S | * | * | trans | -118.3 | 127.7 | 163.9 | -150.5 | -177.9 | -172.1 | -159.7 | 2.5 | 108.7 | G55 | R49-G55 PolarHBondContact NH1-O 3.17Š| ||
| 50 | S | 25.6 | Very low | 26 | Very low | 81 Ų | 81 | 115 Ų | 115 | 57% | 0.566 | 68% | 0.682 | S | S | * | * | trans | -65.1 | 150.1 | 179.9 | 172.5 | 0 | 0 | 0 | 0 | 112.6 | T52 | S50-T52 PolarHBondContact O-N 2.94Å; S50-T52 PolarHBondContact OG-OG1 3.18Å | ||
| 51 | P | 27.8 | Very low | 25.9 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 83% | 0.831 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -75.5 | 11 | -172.9 | -5.6 | 21.9 | 0 | 0 | 0 | 116.1 | ||
| 52 | T | 28.1 | Very low | 26 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | trans | -106.8 | 18.8 | -165.4 | 56.8 | 0 | 0 | 0 | 0 | 115.9 | S50 | S50-T52 PolarHBondContact O-N 2.94Å; S50-T52 PolarHBondContact OG-OG1 3.18Å | ||
| 53 | T | 27.8 | Very low | 26 | Very low | 90 Ų | 90 | 115.4 Ų | 115.4 | 55% | 0.552 | 69% | 0.686 | S | S | * | * | trans | -137.9 | 108.2 | 174.8 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | G55 | T53-G55 PolarHBondContact O-N 3.16Š| ||
| 54 | T | 26.3 | Very low | 26 | Very low | 155 Ų | 155 | 120.1 Ų | 120.1 | 95% | 0.951 | 69% | 0.685 | S | S | * | * | trans | -55.1 | 99 | 160.5 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 55 | G | 25.3 | Very low | 26.1 | Very low | 42 Ų | 42 | 126 Ų | 126 | 43% | 0.433 | 70% | 0.697 | S | S | . | * | trans | -165.9 | 110.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | R49 T53 | R49-G55 PolarHBondContact NH1-O 3.17Å; T53-G55 PolarHBondContact O-N 3.16Å | ||
| 56 | R | 23.6 | Very low | 26.1 | Very low | 259 Ų | 259 | 126 Ų | 126 | 98% | 0.977 | 69% | 0.689 | S | S | * | * | trans | -26.9 | 128.6 | 173 | -77.1 | 176.3 | 169.1 | 171.9 | -4.2 | 113.2 | ||||
| 57 | V | 27.7 | Very low | 26 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 74% | 0.739 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 118.9 | 171.3 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | ||
| 58 | S | 24.5 | Very low | 26.2 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 136 | 170.1 | 36.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 59 | T | 24.9 | Very low | 26.3 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 82% | 0.816 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 125.1 | 179.2 | 30.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 60 | P | 24.8 | Very low | 26.3 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 62% | 0.617 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 118.7 | 167.1 | 17.7 | -8.6 | 0 | 0 | 0 | 111 | L62 | P60-L62 PolarHBondContact O-N 2.74Å; P60-L62 VanDerWaalsContact O-N 3.16Å |
| 61 | L | 22.7 | Very low | 26.6 | Very low | 176 Ų | 176 | 119.6 Ų | 119.6 | 92% | 0.921 | 67% | 0.667 | S | S | * | * | trans | -61.5 | 100.9 | 168.1 | -77.1 | 154.8 | 0 | 0 | 0 | 110.5 | ||||
| 62 | L | 26 | Very low | 26.6 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | trans | -144.3 | 143.1 | 173.5 | -76.8 | 173.7 | 0 | 0 | 0 | 113.5 | P60 | P60-L62 PolarHBondContact O-N 2.74Å; P60-L62 VanDerWaalsContact O-N 3.16Å | ||
| 63 | S | 25.6 | Very low | 26.8 | Very low | 87 Ų | 87 | 114.7 Ų | 114.7 | 61% | 0.608 | 63% | 0.631 | S | S | * | * | trans | -61.6 | 150.5 | -157.5 | 62.1 | 0 | 0 | 0 | 0 | 118.1 | K65 | S63-K65 PolarHBondContact O-N 2.82Š| ||
| 64 | K | 26.1 | Very low | 26.8 | Very low | 216 Ų | 216 | 113.7 Ų | 113.7 | 94% | 0.939 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 16.1 | -176.9 | -69.7 | -176.2 | 172.7 | -178.4 | 0 | 117.8 | ||
| 65 | K | 25.8 | Very low | 27 | Very low | 201 Ų | 201 | 110.8 Ų | 110.8 | 87% | 0.874 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 17.9 | -167.8 | -80.9 | -167.6 | 175.9 | -175.5 | 0 | 117.2 | S63 | S63-K65 PolarHBondContact O-N 2.82Š|
| 66 | S | 26.5 | Very low | 27.2 | Very low | 51 Ų | 51 | 111.9 Ų | 111.9 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | trans | -141 | 119.6 | 175.7 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | R68 | S66-R68 PolarHBondContact O-N 3.39Å; S66-R68 WeakPolarHBondContact OG-CG 3.45Å; S66-R68 PolarHBondContact OG-NE 2.83Å; S66-R68 PolarHBondContact OG-NH2 2.82Å | ||
| 67 | T | 26.9 | Very low | 27.2 | Very low | 134 Ų | 134 | 109 Ų | 109 | 82% | 0.822 | 59% | 0.588 | S | S | * | * | trans | -62.1 | 119.5 | 158 | 2.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 68 | R | 30.1 | Very low | 27.1 | Very low | 94 Ų | 94 | 108 Ų | 108 | 36% | 0.355 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 122 | -173 | -69 | 179.5 | -174.1 | 168.1 | 9.8 | 109.8 | S66 S90 | S66-R68 PolarHBondContact O-N 3.39Å; S66-R68 WeakPolarHBondContact OG-CG 3.45Å; S66-R68 PolarHBondContact OG-NE 2.83Å; S66-R68 PolarHBondContact OG-NH2 2.82Å; R68-S90 PolarHBondContact N-O 3.07Å; R68-S90 VanDerWaalsContact O-CB 3.32Å; R68-S90 WeakPolarHBondContact O-CB 3.11Å; R68-S90 PolarHBondContact O-N 3.09Å |
| 69 | C | 28.2 | Very low | 27.1 | Very low | 63 Ų | 63 | 108.2 Ų | 108.2 | 43% | 0.426 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 134.3 | 171.6 | -67 | 0 | 0 | 0 | 0 | 109.8 | A184 | C69-A184 HydrophobicContact CB-CB 4.45Å; C69-A184 WeakPolarHBondContact SG-CB 3.2Å |
| 70 | C | 28.6 | Very low | 27.2 | Very low | 34 Ų | 34 | 110.1 Ų | 110.1 | 23% | 0.23 | 58% | 0.575 | C | S | . | * | trans | -117.7 | 143.5 | 179.9 | -68.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 71 | L | 30.3 | Very low | 27.1 | Very low | 88 Ų | 88 | 116 Ų | 116 | 46% | 0.461 | 59% | 0.585 | S | S | . | * | trans | -87.5 | 140.1 | 176.8 | -57.2 | 173.2 | 0 | 0 | 0 | 110.3 | F180 V182 | L71-F180 WeakPolarHBondContact CD2-O 3.06Å; L71-V182 HydrophobicContact CD2-CB 4.16Å; L71-V182 HydrophobicContact CD2-CG2 4.38Å; L71-V182 VanDerWaalsContact CD2-N 3.27Å | ||
| 72 | V | 28.9 | Very low | 27.2 | Very low | 66 Ų | 66 | 115.4 Ų | 115.4 | 40% | 0.4 | 58% | 0.575 | S | S | . | * | trans | -125.3 | 127.2 | 168.5 | -171.8 | 0 | 0 | 0 | 0 | 108.3 | V88 | V72-V88 HydrophobicContact CG2-CB 3.9Å; V72-V88 HydrophobicContact CG2-CG2 3.51Å | ||
| 73 | N | 31.2 | Very low | 27.4 | Very low | 77 Ų | 77 | 117.7 Ų | 117.7 | 41% | 0.412 | 58% | 0.582 | S | S | . | * | trans | -88.4 | 132.4 | 169.7 | -171 | 4.9 | 0 | 0 | 0 | 107.6 | F48 Y178 | F48-N73 HydrophobicContact CD1-CB 4.28Å; F48-N73 HydrophobicContact CE1-CB 3.16Å; F48-N73 HydrophobicContact CZ-CB 3.32Å; N73-Y178 PolarHBondContact OD1-O 2.86Å | ||
| 74 | F | 29.1 | Very low | 27.4 | Very low | 70 Ų | 70 | 116.7 Ų | 116.7 | 31% | 0.307 | 57% | 0.573 | S | S | . | * | trans | -117.9 | 123.4 | -180 | -165.4 | -96.4 | 0 | 0 | 0 | 110.2 | S76 | F74-S76 PolarHBondContact O-N 2.87Š| ||
| 75 | D | 30.1 | Very low | 27.6 | Very low | 93 Ų | 93 | 109 Ų | 109 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | trans | -78.7 | 91.6 | 168 | -170.2 | 20.5 | 0 | 0 | 0 | 107.4 | R77 | D75-R77 PolarHBondContact O-N 2.74Å; D75-R77 IonicContact OD2-CZ 3.67Å; D75-R77 IonicContact OD2-NE 3.09Å; D75-R77 PolarHBondContact OD2-NE 3.03Å; D75-R77 VanDerWaalsContact OD2-NE 3.09Å; D75-R77 IonicContact OD2-NH2 3.3Å; D75-R77 PolarHBondContact OD2-NH2 3.34Å | ||
| 76 | S | 28.5 | Very low | 27.8 | Very low | 65 Ų | 65 | 104.3 Ų | 104.3 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | trans | -69.1 | 92.6 | 177.2 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | F74 L78 | F74-S76 PolarHBondContact O-N 2.87Å; S76-L78 VanDerWaalsContact C-N 3.28Å | ||
| 77 | R | 24.9 | Very low | 28.1 | Very low | 199 Ų | 199 | 105 Ų | 105 | 75% | 0.751 | 53% | 0.53 | S | S | * | . | trans | -90.2 | 14.7 | 166.6 | -61.8 | -170.2 | -170 | -171.7 | 4.5 | 113.4 | D75 | D75-R77 PolarHBondContact O-N 2.74Å; D75-R77 IonicContact OD2-CZ 3.67Å; D75-R77 IonicContact OD2-NE 3.09Å; D75-R77 PolarHBondContact OD2-NE 3.03Å; D75-R77 VanDerWaalsContact OD2-NE 3.09Å; D75-R77 IonicContact OD2-NH2 3.3Å; D75-R77 PolarHBondContact OD2-NH2 3.34Å | ||
| 78 | L | 26.2 | Very low | 28.4 | Very low | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -104.7 | 105.9 | -172.6 | -70 | 168 | 0 | 0 | 0 | 111 | S76 | S76-L78 VanDerWaalsContact C-N 3.28Š|
| 79 | T | 24.5 | Very low | 28.3 | Very low | 112 Ų | 112 | 98.6 Ų | 98.6 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | trans | 26.3 | 117.3 | 144.6 | 50.3 | 0 | 0 | 0 | 0 | 118.5 | R81 | T79-R81 PolarHBondContact O-N 3.3Š| ||
| 80 | E | 25.8 | Very low | 28.3 | Very low | 173 Ų | 173 | 96.2 Ų | 96.2 | 81% | 0.808 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -22.5 | 9.6 | 174.5 | -71.6 | 179.1 | 162.6 | 0 | 0 | 123 | Q173 | E80-Q173 PolarHBondContact OE1-NE2 3.04Š|
| 81 | R | 23.8 | Very low | 28.1 | Very low | 220 Ų | 220 | 97 Ų | 97 | 83% | 0.83 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.2 | -2 | -176.7 | -65.4 | -171 | -177.9 | -172.3 | 0.6 | 116.8 | T79 | T79-R81 PolarHBondContact O-N 3.3Š|
| 82 | F | 24.4 | Very low | 27.9 | Very low | 162 Ų | 162 | 96.7 Ų | 96.7 | 71% | 0.711 | 51% | 0.512 | S | S | * | . | trans | -141.5 | 122.9 | -179.1 | -63.3 | -81.5 | 0 | 0 | 0 | 111.9 | ||||
| 83 | H | 28.8 | Very low | 27.7 | Very low | 166 Ų | 166 | 96.5 Ų | 96.5 | 77% | 0.769 | 52% | 0.523 | S | S | * | . | trans | -86.3 | 106.1 | 166.1 | -64.6 | -65.6 | 0 | 0 | 0 | 108.6 | ||||
| 84 | T | 26.4 | Very low | 27.4 | Very low | 66 Ų | 66 | 99.7 Ų | 99.7 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | trans | -95.9 | 112.2 | 170.2 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 85 | A | 30.6 | Very low | 27.4 | Very low | 55 Ų | 55 | 102.5 Ų | 102.5 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | trans | -101.1 | 118.4 | 163 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 86 | E | 29.5 | Very low | 27.1 | Very low | 101 Ų | 101 | 102.1 Ų | 102.1 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | trans | -87.7 | 111.6 | 171 | -69.6 | -173 | 162.4 | 0 | 0 | 108.7 | ||||
| 87 | L | 32.8 | Very low | 27 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 35% | 0.346 | 57% | 0.565 | S | S | . | * | trans | -88.4 | 116.7 | 173.8 | -174.3 | 76.4 | 0 | 0 | 0 | 108.7 | V89 L101 L136 V182 | L87-V89 HydrophobicContact CD2-CG2 3.56Å; L87-V89 HydrophobicContact CG-CG2 3.79Å; L87-L101 HydrophobicContact CB-CD1 4.43Å; L87-L136 HydrophobicContact CD2-CD1 4.16Å; L87-V182 HydrophobicContact CD1-CG1 4.34Å; L87-V182 HydrophobicContact CD1-CG2 4.04Å | ||
| 88 | V | 32.9 | Very low | 26.9 | Very low | 38 Ų | 38 | 101.8 Ų | 101.8 | 23% | 0.23 | 56% | 0.556 | C | S | . | * | trans | -95.9 | 106.9 | 170.5 | 178.5 | 0 | 0 | 0 | 0 | 109 | V72 F95 | V72-V88 HydrophobicContact CG2-CB 3.9Å; V72-V88 HydrophobicContact CG2-CG2 3.51Å; V88-F95 HydrophobicContact CG1-CD1 4.41Å | ||
| 89 | V | 28.8 | Very low | 26.9 | Very low | 55 Ų | 55 | 101.8 Ų | 101.8 | 33% | 0.333 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99 | 123.1 | 173.1 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | L87 | L87-V89 HydrophobicContact CD2-CG2 3.56Å; L87-V89 HydrophobicContact CG-CG2 3.79Å |
| 90 | S | 28.3 | Very low | 26.9 | Very low | 14 Ų | 14 | 103.3 Ų | 103.3 | 10% | 0.098 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 105.3 | 172.9 | 156.7 | 0 | 0 | 0 | 0 | 109.6 | R68 | R68-S90 PolarHBondContact N-O 3.07Å; R68-S90 VanDerWaalsContact O-CB 3.32Å; R68-S90 WeakPolarHBondContact O-CB 3.11Å; R68-S90 PolarHBondContact O-N 3.09Å |
| 91 | A | 25.1 | Very low | 27 | Very low | 51 Ų | 51 | 99.1 Ų | 99.1 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | G93 E94 | A91-G93 VanDerWaalsContact C-N 3.29Å; A91-G93 PolarHBondContact O-N 3.48Å; A91-E94 PolarHBondContact O-N 3.28Å |
| 92 | G | 25.1 | Very low | 27 | Very low | 81 Ų | 81 | 97.3 Ų | 97.3 | 84% | 0.835 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 10.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | E94 | G92-E94 VanDerWaalsContact C-N 3.34Š|
| 93 | G | 25.4 | Very low | 27.2 | Very low | 62 Ų | 62 | 94 Ų | 94 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 2.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A91 | A91-G93 VanDerWaalsContact C-N 3.29Å; A91-G93 PolarHBondContact O-N 3.48Å |
| 94 | E | 24.6 | Very low | 26.9 | Very low | 143 Ų | 143 | 89.2 Ų | 89.2 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.8 | 166.2 | -68.1 | -172.6 | 160.8 | 0 | 0 | 108.8 | A91 G92 I96 | A91-E94 PolarHBondContact O-N 3.28Å; G92-E94 VanDerWaalsContact C-N 3.34Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3.36Å |
| 95 | F | 28.3 | Very low | 26.8 | Very low | 130 Ų | 130 | 96.3 Ų | 96.3 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 97.9 | 165.8 | -69.7 | -83.7 | 0 | 0 | 0 | 107.2 | V88 L97 | V88-F95 HydrophobicContact CG1-CD1 4.41Å; F95-L97 PolarHBondContact O-N 3.25Å |
| 96 | I | 25.1 | Very low | 26.3 | Very low | 84 Ų | 84 | 99 Ų | 99 | 43% | 0.431 | 56% | 0.557 | S | S | . | * | trans | -73.6 | 85 | 166 | -63.9 | -173.7 | 0 | 0 | 0 | 106.1 | E94 T98 | E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3.36Å; I96-T98 HydrophobicContact CB-CG2 4.37Å; I96-T98 HydrophobicContact CG2-CG2 3.16Å; I96-T98 WeakPolarHBondContact CG2-OG1 3.15Å; I96-T98 PolarHBondContact O-N 3.44Å | ||
| 97 | L | 24.9 | Very low | 26 | Very low | 166 Ų | 166 | 98.4 Ų | 98.4 | 87% | 0.869 | 57% | 0.57 | S | S | * | * | trans | -69.7 | 63.5 | 159.7 | -102.4 | 158.6 | 0 | 0 | 0 | 107.1 | F95 | F95-L97 PolarHBondContact O-N 3.25Š| ||
| 98 | T | 24.6 | Very low | 25.7 | Very low | 92 Ų | 92 | 97.4 Ų | 97.4 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | trans | -112.8 | 120.2 | 179 | 69 | 0 | 0 | 0 | 0 | 110.1 | I96 | I96-T98 HydrophobicContact CB-CG2 4.37Å; I96-T98 HydrophobicContact CG2-CG2 3.16Å; I96-T98 WeakPolarHBondContact CG2-OG1 3.15Å; I96-T98 PolarHBondContact O-N 3.44Å | ||
| 99 | S | 24.5 | Very low | 25.3 | Very low | 101 Ų | 101 | 104.9 Ų | 104.9 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | trans | 79.5 | 116.5 | 150.7 | -39.2 | 0 | 0 | 0 | 0 | 113.1 | L101 | S99-L101 PolarHBondContact O-N 3.33Š| ||
| 100 | K | 25.8 | Very low | 25.3 | Very low | 143 Ų | 143 | 107.7 Ų | 107.7 | 62% | 0.622 | 61% | 0.605 | S | S | * | * | trans | -42.4 | 112.7 | 149.1 | -69.4 | 176.8 | 179.2 | 177.8 | 0 | 106.7 | Y102 | K100-Y102 HydrophobicContact CB-CD2 3.83Å; K100-Y102 HydrophobicContact CB-CE2 3.53Å; K100-Y102 HydrophobicContact CD-CE2 3.79Å; K100-Y102 WeakPolarHBondContact CD-OH 3.25Å; K100-Y102 HydrophobicContact CG-CE2 4.32Å; K100-Y102 WeakPolarHBondContact O-CD2 3.46Å; K100-Y102 PolarHBondContact O-N 2.9Å | ||
| 101 | L | 27 | Very low | 25.1 | Very low | 85 Ų | 85 | 108.8 Ų | 108.8 | 45% | 0.445 | 62% | 0.618 | S | S | . | * | trans | -73.1 | 87.2 | 173.5 | -123.4 | 149.3 | 0 | 0 | 0 | 105.6 | L87 S99 L103 | L87-L101 HydrophobicContact CB-CD1 4.43Å; S99-L101 PolarHBondContact O-N 3.33Å; L101-L103 VanDerWaalsContact C-N 3.28Å; L101-L103 HydrophobicContact CD2-CD2 4.04Å; L101-L103 PolarHBondContact O-N 3.09Å | ||
| 102 | Y | 25.2 | Very low | 25.3 | Very low | 182 Ų | 182 | 117.1 Ų | 117.1 | 71% | 0.714 | 64% | 0.639 | S | S | * | * | trans | -67.4 | 97.1 | 166.3 | -74.5 | -85 | 0 | 0 | 0 | 106 | K100 A104 | K100-Y102 HydrophobicContact CB-CD2 3.83Å; K100-Y102 HydrophobicContact CB-CE2 3.53Å; K100-Y102 HydrophobicContact CD-CE2 3.79Å; K100-Y102 WeakPolarHBondContact CD-OH 3.25Å; K100-Y102 HydrophobicContact CG-CE2 4.32Å; K100-Y102 WeakPolarHBondContact O-CD2 3.46Å; K100-Y102 PolarHBondContact O-N 2.9Å; Y102-A104 PolarHBondContact O-N 2.9Å | ||
| 103 | L | 26.7 | Very low | 25.3 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 49% | 0.492 | 62% | 0.616 | S | S | . | * | trans | -67.5 | 83.7 | 174.8 | -70.5 | 164.5 | 0 | 0 | 0 | 108.4 | L101 K105 L108 | L101-L103 VanDerWaalsContact C-N 3.28Å; L101-L103 HydrophobicContact CD2-CD2 4.04Å; L101-L103 PolarHBondContact O-N 3.09Å; L103-K105 PolarHBondContact O-N 3.27Å; L103-L108 HydrophobicContact CD2-CD1 3.58Å | ||
| 104 | A | 22.5 | Very low | 25.4 | Very low | 64 Ų | 64 | 119 Ų | 119 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | trans | -68.6 | 128.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108 | Y102 S106 | Y102-A104 PolarHBondContact O-N 2.9Å; A104-S106 PolarHBondContact O-N 3.43Å | ||
| 105 | K | 24.3 | Very low | 25.5 | Very low | 215 Ų | 215 | 115.4 Ų | 115.4 | 94% | 0.935 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 0.3 | -172.7 | -155.5 | 177.7 | 179.9 | -177.9 | 0 | 115.1 | L103 | L103-K105 PolarHBondContact O-N 3.27Š|
| 106 | S | 21.6 | Very low | 25.4 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 78% | 0.776 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -3.6 | -162.9 | 54.2 | 0 | 0 | 0 | 0 | 116.6 | A104 | A104-S106 PolarHBondContact O-N 3.43Š|
| 107 | A | 23.2 | Very low | 25.5 | Very low | 89 Ų | 89 | 115 Ų | 115 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -124.2 | 9.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 108 | L | 26.5 | Very low | 25.6 | Very low | 45 Ų | 45 | 113 Ų | 113 | 24% | 0.236 | 60% | 0.598 | C | S | . | * | trans | -128.2 | 116.1 | -176.9 | -72.9 | 162.2 | 0 | 0 | 0 | 110 | L103 F110 L136 | L103-L108 HydrophobicContact CD2-CD1 3.58Å; L108-F110 HydrophobicContact CB-CD2 3.74Å; L108-F110 HydrophobicContact CB-CE1 4.28Å; L108-F110 HydrophobicContact CB-CE2 3.32Å; L108-F110 HydrophobicContact CB-CG 4.41Å; L108-F110 HydrophobicContact CB-CZ 3.64Å; L108-F110 HydrophobicContact CD1-CE1 4.13Å; L108-F110 HydrophobicContact CD1-CE2 3.79Å; L108-F110 HydrophobicContact CD1-CZ 3.34Å; L108-F110 HydrophobicContact CG-CE2 4.17Å; L108-F110 HydrophobicContact CG-CZ 4.04Å; L108-F110 PolarHBondContact O-N 3.43Å; L108-L136 HydrophobicContact CD2-CD2 4.36Å | ||
| 109 | Q | 23.9 | Very low | 25.8 | Very low | 196 Ų | 196 | 112.5 Ų | 112.5 | 92% | 0.916 | 59% | 0.591 | S | S | * | * | trans | -75.8 | 97 | 160 | -82 | -175.7 | -13.5 | 0 | 0 | 107.4 | G111 | Q109-G111 PolarHBondContact O-N 2.83Š| ||
| 110 | F | 28.3 | Very low | 26.1 | Very low | 113 Ų | 113 | 114.5 Ų | 114.5 | 50% | 0.496 | 59% | 0.593 | S | S | . | * | trans | -79.9 | 113.4 | 171 | -68.7 | -77.9 | 0 | 0 | 0 | 109.2 | L108 W112 | L108-F110 HydrophobicContact CB-CD2 3.74Å; L108-F110 HydrophobicContact CB-CE1 4.28Å; L108-F110 HydrophobicContact CB-CE2 3.32Å; L108-F110 HydrophobicContact CB-CG 4.41Å; L108-F110 HydrophobicContact CB-CZ 3.64Å; L108-F110 HydrophobicContact CD1-CE1 4.13Å; L108-F110 HydrophobicContact CD1-CE2 3.79Å; L108-F110 HydrophobicContact CD1-CZ 3.34Å; L108-F110 HydrophobicContact CG-CE2 4.17Å; L108-F110 HydrophobicContact CG-CZ 4.04Å; L108-F110 PolarHBondContact O-N 3.43Å; F110-W112 PolarHBondContact O-N 2.92Å | ||
| 111 | G | 25.1 | Very low | 26.1 | Very low | 37 Ų | 37 | 115.9 Ų | 115.9 | 38% | 0.381 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.3 | 106.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108 | Q109 H133 | Q109-G111 PolarHBondContact O-N 2.83Å; G111-H133 PolarHBondContact O-N 3.49Å |
| 112 | W | 27.9 | Very low | 26.1 | Very low | 226 Ų | 226 | 120.2 Ų | 120.2 | 86% | 0.856 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.7 | 130 | 160.8 | 49.4 | 0.2 | 0 | 0 | 0 | 109.9 | F110 | F110-W112 PolarHBondContact O-N 2.92Å |
| 113 | S | 25.8 | Very low | 26.6 | Very low | 50 Ų | 50 | 120 Ų | 120 | 35% | 0.35 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 114 | 163 | -49 | 0 | 0 | 0 | 0 | 106.6 | I115 R131 | S113-I115 PolarHBondContact O-N 2.89Å; S113-R131 PolarHBondContact N-O 3.23Å |
| 114 | Y | 27 | Very low | 26.9 | Very low | 134 Ų | 134 | 118 Ų | 118 | 53% | 0.525 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 123.8 | 166.2 | -172.9 | -120 | 0 | 0 | 0 | 107.1 | E116 | Y114-E116 HydrophobicContact CD1-CB 4.5Å; Y114-E116 HydrophobicContact CD1-CG 3.49Å; Y114-E116 VanDerWaalsContact CD1-CG 3.49Å; Y114-E116 HydrophobicContact CE1-CB 4.31Å; Y114-E116 HydrophobicContact CE1-CG 3.2Å |
| 115 | I | 27.7 | Very low | 27.5 | Very low | 67 Ų | 67 | 121.7 Ų | 121.7 | 34% | 0.344 | 62% | 0.622 | S | S | . | * | trans | -93.4 | 100.7 | 168.3 | -60.4 | 178.3 | 0 | 0 | 0 | 105 | S113 A117 R131 | S113-I115 PolarHBondContact O-N 2.89Å; I115-A117 PolarHBondContact O-N 3.39Å; I115-R131 HydrophobicContact CD1-CB 3.85Å; I115-R131 HydrophobicContact CG1-CB 4.22Å | ||
| 116 | E | 26.5 | Very low | 28.2 | Very low | 160 Ų | 160 | 113.3 Ų | 113.3 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | trans | -64.6 | 87.8 | 160.1 | -81.9 | 179.6 | 169.3 | 0 | 0 | 107.4 | Y114 | Y114-E116 HydrophobicContact CD1-CB 4.5Å; Y114-E116 HydrophobicContact CD1-CG 3.49Å; Y114-E116 VanDerWaalsContact CD1-CG 3.49Å; Y114-E116 HydrophobicContact CE1-CB 4.31Å; Y114-E116 HydrophobicContact CE1-CG 3.2Å | ||
| 117 | A | 27.2 | Very low | 29 | Very low | 46 Ų | 46 | 109.9 Ų | 109.9 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | trans | -72.6 | 132.4 | 156 | 0 | 0 | 0 | 0 | 0 | 106.3 | I115 I119 | I115-A117 PolarHBondContact O-N 3.39Å; A117-I119 VanDerWaalsContact C-N 3.3Å; A117-I119 PolarHBondContact O-N 2.86Å | ||
| 118 | P | 25.8 | Very low | 29.8 | Very low | 123 Ų | 123 | 106.5 Ų | 106.5 | 80% | 0.799 | 54% | 0.536 | S | S | * | . | trans | -59.9 | 101.4 | 165.2 | 23.6 | -29.2 | 0 | 0 | 0 | 107 | D120 | P118-D120 PolarHBondContact O-N 3.45Š| ||
| 119 | I | 30 | Very low | 30.5 | Very low | 82 Ų | 82 | 105.8 Ų | 105.8 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | trans | -76.3 | 79.5 | 170.9 | -59.2 | 175.2 | 0 | 0 | 0 | 104.3 | A117 E121 | A117-I119 VanDerWaalsContact C-N 3.3Å; A117-I119 PolarHBondContact O-N 2.86Å; I119-E121 PolarHBondContact O-N 3.13Å; I119-E121 VanDerWaalsContact O-N 3.15Å | ||
| 120 | D | 30 | Very low | 31.3 | Very low | 142 Ų | 142 | 101.7 Ų | 101.7 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | trans | -66.9 | 115.9 | 169.9 | -117.3 | -18.1 | 0 | 0 | 0 | 107.6 | P118 L122 | P118-D120 PolarHBondContact O-N 3.45Å; D120-L122 PolarHBondContact O-N 2.85Å | ||
| 121 | E | 26.2 | Very low | 31.9 | Very low | 172 Ų | 172 | 99.8 Ų | 99.8 | 80% | 0.804 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 108.2 | -173.8 | -61.7 | 172.2 | 152.2 | 0 | 0 | 109.3 | I119 | I119-E121 PolarHBondContact O-N 3.13Å; I119-E121 VanDerWaalsContact O-N 3.15Å |
| 122 | L | 26.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 103.2 Ų | 103.2 | 92% | 0.921 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 155.1 | -13.4 | 144.5 | -85.1 | 151 | 0 | 0 | 0 | 115.8 | D120 | D120-L122 PolarHBondContact O-N 2.85Š|
| 123 | E | 36.5 | Very low | 33.3 | Very low | 178 Ų | 178 | 95.2 Ų | 95.2 | 83% | 0.832 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | -18.4 | -178 | -75.1 | -167.1 | 156.6 | 0 | 0 | 116.2 | ||
| 124 | T | 31.6 | Very low | 34 | Very low | 51 Ų | 51 | 94.3 Ų | 94.3 | 31% | 0.313 | 46% | 0.462 | S | S | . | . | trans | -103.9 | 110.2 | -175.7 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | L2 V126 | L2-T124 HydrophobicContact CD1-CG2 3.28Å; L2-T124 HydrophobicContact CD2-CG2 3.71Å; L2-T124 HydrophobicContact CG-CG2 4.1Å; T124-V126 PolarHBondContact O-N 3.47Å | ||
| 125 | R | 35.4 | Very low | 34.3 | Very low | 143 Ų | 143 | 89.8 Ų | 89.8 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | trans | -68.3 | 28.2 | 173.1 | -61.1 | -176.9 | 179.8 | -175.2 | -2.3 | 112.8 | H152 H153 | R125-H152 WeakPolarHBondContact O-CA 3.27Å; R125-H152 WeakPolarHBondContact O-CB 3Å; R125-H152 PolarHBondContact O-ND1 3.03Å; R125-H153 PolarHBondContact O-N 3.15Å | ||
| 126 | V | 38.5 | Very low | 34.9 | Very low | 39 Ų | 39 | 88.1 Ų | 88.1 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.5 | -179.9 | 178 | 0 | 0 | 0 | 0 | 107 | T124 V129 I150 C151 H152 | T124-V126 PolarHBondContact O-N 3.47Å; V126-V129 HydrophobicContact CG1-CG2 3.96Å; V126-I150 HydrophobicContact CG1-CG2 3.86Å; V126-I150 HydrophobicContact CG2-CG2 4.29Å; V126-C151 WeakPolarHBondContact CA-O 3.15Å; V126-H152 VanDerWaalsContact CG2-CE1 3.4Å; V126-H152 WeakPolarHBondContact CG2-CE1 3.39Å |
| 127 | S | 38.9 | Very low | 35.2 | Very low | 38 Ų | 38 | 87.2 Ų | 87.2 | 27% | 0.266 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -24.7 | -174.6 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | C151 H153 | S127-C151 PolarHBondContact N-O 3.09Å; S127-C151 PolarHBondContact OG-O 2.77Å; S127-H153 WeakPolarHBondContact CB-CD2 3.22Å |
| 128 | S | 40.7 | Very low | 35.6 | Very low | 19 Ų | 19 | 91.2 Ų | 91.2 | 13% | 0.133 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 145.6 | 177.9 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | W130 C151 | S128-W130 VanDerWaalsContact CB-NE1 3.31Å; S128-W130 PolarHBondContact OG-NE1 3.23Å; S128-C151 PolarHBondContact O-N 2.84Å; S128-C151 VanDerWaalsContact OG-CB 3.25Å; S128-C151 WeakPolarHBondContact OG-CB 3.25Å; S128-C151 PolarHBondContact OG-SG 2.99Å; S128-C151 VanDerWaalsContact OG-SG 3.39Å |
| 129 | V | 40.6 | Very low | 35.9 | Very low | 29 Ų | 29 | 91.6 Ų | 91.6 | 18% | 0.176 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.9 | 168 | -177.9 | 0 | 0 | 0 | 0 | 108 | V126 I148 V149 I150 | V126-V129 HydrophobicContact CG1-CG2 3.96Å; V129-I148 HydrophobicContact CG1-CG2 4.04Å; V129-V149 CarbonylContact C-O 3.59Å; V129-V149 WeakPolarHBondContact CA-O 3.23Å; V129-I150 HydrophobicContact CG1-CG1 4.46Å; V129-I150 HydrophobicContact CG2-CG1 4.46Å |
| 130 | W | 40.4 | Very low | 36.1 | Very low | 111 Ų | 111 | 91.8 Ų | 91.8 | 42% | 0.42 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.7 | 176.9 | -53.7 | 79.7 | 0 | 0 | 0 | 109.2 | S128 I148 V149 | S128-W130 VanDerWaalsContact CB-NE1 3.31Å; S128-W130 PolarHBondContact OG-NE1 3.23Å; W130-I148 WeakPolarHBondContact O-CA 3.29Å; W130-V149 HydrophobicContact CB-CB 4.21Å; W130-V149 PolarHBondContact N-O 2.97Å; W130-V149 PolarHBondContact O-N 2.98Å |
| 131 | R | 40.7 | Very low | 36.1 | Very low | 73 Ų | 73 | 90.1 Ų | 90.1 | 28% | 0.275 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.2 | 170.3 | -172.9 | 175 | 177.6 | -175 | 0.9 | 108.6 | S113 I115 H133 C146 L147 | S113-R131 PolarHBondContact N-O 3.23Å; I115-R131 HydrophobicContact CD1-CB 3.85Å; I115-R131 HydrophobicContact CG1-CB 4.22Å; R131-H133 VanDerWaalsContact CD-CE1 3.47Å; R131-H133 WeakPolarHBondContact CD-CE1 3.43Å; R131-H133 VanDerWaalsContact CZ-CE1 3.44Å; R131-H133 PolarHBondContact NE-CE1 3.24Å; R131-H133 PolarHBondContact NE-NE2 3.04Å; R131-H133 VanDerWaalsContact NE-NE2 3.14Å; R131-H133 PolarHBondContact NH2-NE2 2.81Å; R131-C146 VanDerWaalsContact CG-SG 3.53Å; R131-C146 PolarHBondContact NE-SG 2.95Å; R131-L147 CarbonylContact C-O 3.59Å; R131-L147 WeakPolarHBondContact CA-O 3.21Å |
| 132 | W | 43.3 | Very low | 36.5 | Very low | 108 Ų | 108 | 85 Ų | 85 | 41% | 0.409 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.3 | 169.8 | -58.5 | -21.7 | 0 | 0 | 0 | 109.1 | C146 L147 | W132-C146 CarbonylContact O-C 3.59Å; W132-C146 WeakPolarHBondContact O-CA 3.34Å; W132-L147 HydrophobicContact CB-CB 4.21Å; W132-L147 HydrophobicContact CD2-CD2 4.24Å; W132-L147 HydrophobicContact CE3-CD2 3.36Å; W132-L147 HydrophobicContact CZ3-CD2 3.73Å; W132-L147 PolarHBondContact N-O 3.26Å; W132-L147 PolarHBondContact O-N 2.74Å |
| 133 | H | 39.5 | Very low | 37.1 | Very low | 58 Ų | 58 | 79.5 Ų | 79.5 | 27% | 0.269 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.1 | 166.4 | -61.8 | 78.4 | 0 | 0 | 0 | 108.4 | G111 R131 | G111-H133 PolarHBondContact O-N 3.49Å; R131-H133 VanDerWaalsContact CD-CE1 3.47Å; R131-H133 WeakPolarHBondContact CD-CE1 3.43Å; R131-H133 VanDerWaalsContact CZ-CE1 3.44Å; R131-H133 PolarHBondContact NE-CE1 3.24Å; R131-H133 PolarHBondContact NE-NE2 3.04Å; R131-H133 VanDerWaalsContact NE-NE2 3.14Å; R131-H133 PolarHBondContact NH2-NE2 2.81Å |
| 134 | F | 41 | Very low | 37.1 | Very low | 31 Ų | 31 | 74.6 Ų | 74.6 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.7 | 174.7 | 63 | -93.6 | 0 | 0 | 0 | 109.8 | L136 V144 G145 L147 V182 | F134-L136 HydrophobicContact CD2-CD1 4.34Å; F134-L136 HydrophobicContact CD2-CG 4.03Å; F134-L136 HydrophobicContact CE2-CD1 4.12Å; F134-L136 HydrophobicContact CE2-CG 4.31Å; F134-V144 WeakPolarHBondContact O-CA 3.47Å; F134-G145 PolarHBondContact N-O 3.15Å; F134-G145 PolarHBondContact O-N 2.91Å; F134-L147 HydrophobicContact CE1-CB 4.32Å; F134-V182 HydrophobicContact CZ-CG1 4.22Å |
| 135 | A | 33 | Very low | 37.7 | Very low | 39 Ų | 39 | 72.3 Ų | 72.3 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | T142 I143 | A135-T142 HydrophobicContact CB-CG2 4.12Å; A135-I143 CarbonylContact C-O 3.6Å; A135-I143 WeakPolarHBondContact CA-O 3.38Å |
| 136 | L | 39.3 | Very low | 38 | Very low | 33 Ų | 33 | 66.5 Ų | 66.5 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 111 | 169.2 | -63.9 | 172.3 | 0 | 0 | 0 | 107.7 | L87 L108 F134 F138 T142 I143 | L87-L136 HydrophobicContact CD2-CD1 4.16Å; L108-L136 HydrophobicContact CD2-CD2 4.36Å; F134-L136 HydrophobicContact CD2-CD1 4.34Å; F134-L136 HydrophobicContact CD2-CG 4.03Å; F134-L136 HydrophobicContact CE2-CD1 4.12Å; F134-L136 HydrophobicContact CE2-CG 4.31Å; L136-F138 HydrophobicContact CB-CD2 4.18Å; L136-F138 HydrophobicContact CB-CE2 3.76Å; L136-F138 HydrophobicContact CD1-CE2 4.25Å; L136-F138 HydrophobicContact CG-CE2 4.44Å; L136-T142 WeakPolarHBondContact O-CA 3.1Å; L136-I143 HydrophobicContact CB-CB 4.32Å; L136-I143 PolarHBondContact N-O 3.25Å; L136-I143 PolarHBondContact O-N 3.28Å |
| 137 | H | 32.8 | Very low | 38.3 | Very low | 141 Ų | 141 | 65.6 Ų | 65.6 | 65% | 0.653 | 36% | 0.36 | S | S | * | . | trans | -92.9 | 104.9 | 174 | -68.9 | -47.3 | 0 | 0 | 0 | 109.7 | T142 | H137-T142 WeakPolarHBondContact CE1-CG2 3.42Å; H137-T142 PolarHBondContact CE1-OG1 3.22Å; H137-T142 WeakPolarHBondContact ND1-CB 2.97Å; H137-T142 WeakPolarHBondContact ND1-CG2 3.4Å; H137-T142 PolarHBondContact ND1-OG1 3.44Å | ||
| 138 | F | 36.7 | Very low | 38.4 | Very low | 130 Ų | 130 | 65.8 Ų | 65.8 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -115.7 | 100.8 | 164.8 | -61.3 | -75.5 | 0 | 0 | 0 | 107.4 | L136 A140 | L136-F138 HydrophobicContact CB-CD2 4.18Å; L136-F138 HydrophobicContact CB-CE2 3.76Å; L136-F138 HydrophobicContact CD1-CE2 4.25Å; L136-F138 HydrophobicContact CG-CE2 4.44Å; F138-A140 CarbonylContact O-C 3.09Å; F138-A140 VanDerWaalsContact O-CA 3.27Å; F138-A140 WeakPolarHBondContact O-CA 3.37Å; F138-A140 PolarHBondContact O-N 3.15Å; F138-A140 VanDerWaalsContact O-O 3.1Å |
| 139 | S | 32.5 | Very low | 38.5 | Very low | 130 Ų | 130 | 65.3 Ų | 65.3 | 91% | 0.909 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 34 | 33.8 | 164.1 | 51.1 | 0 | 0 | 0 | 0 | 118 | ||
| 140 | A | 32.7 | Very low | 38.5 | Very low | 86 Ų | 86 | 65.8 Ų | 65.8 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 65.1 | 137.2 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | F138 | F138-A140 CarbonylContact O-C 3.09Å; F138-A140 VanDerWaalsContact O-CA 3.27Å; F138-A140 WeakPolarHBondContact O-CA 3.37Å; F138-A140 PolarHBondContact O-N 3.15Å; F138-A140 VanDerWaalsContact O-O 3.1Å |
| 141 | P | 31.8 | Very low | 38.5 | Very low | 108 Ų | 108 | 61.6 Ų | 61.6 | 70% | 0.701 | 34% | 0.343 | S | S | * | . | cis | -82.1 | 150 | -11.6 | 32.4 | -32.4 | 0 | 0 | 0 | 112.8 | I143 | P141-I143 PolarHBondContact O-N 2.89Š| ||
| 142 | T | 34.3 | Very low | 38.3 | Very low | 65 Ų | 65 | 61.6 Ų | 61.6 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | trans | -66 | 123.9 | 169.2 | -57.8 | 0 | 0 | 0 | 0 | 110 | A135 L136 H137 V144 | A135-T142 HydrophobicContact CB-CG2 4.12Å; L136-T142 WeakPolarHBondContact O-CA 3.1Å; H137-T142 WeakPolarHBondContact CE1-CG2 3.42Å; H137-T142 PolarHBondContact CE1-OG1 3.22Å; H137-T142 WeakPolarHBondContact ND1-CB 2.97Å; H137-T142 WeakPolarHBondContact ND1-CG2 3.4Å; H137-T142 PolarHBondContact ND1-OG1 3.44Å; T142-V144 HydrophobicContact CG2-CG2 3.91Å | ||
| 143 | I | 38.8 | Very low | 37.8 | Very low | 59 Ų | 59 | 62.8 Ų | 62.8 | 30% | 0.303 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 109.4 | 169.7 | -59.6 | 171.9 | 0 | 0 | 0 | 107.2 | A135 L136 P141 | A135-I143 CarbonylContact C-O 3.6Å; A135-I143 WeakPolarHBondContact CA-O 3.38Å; L136-I143 HydrophobicContact CB-CB 4.32Å; L136-I143 PolarHBondContact N-O 3.25Å; L136-I143 PolarHBondContact O-N 3.28Å; P141-I143 PolarHBondContact O-N 2.89Å |
| 144 | V | 36.3 | Very low | 37.5 | Very low | 75 Ų | 75 | 64.1 Ų | 64.1 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122 | 168 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | F134 T142 | F134-V144 WeakPolarHBondContact O-CA 3.47Å; T142-V144 HydrophobicContact CG2-CG2 3.91Å |
| 145 | G | 43.7 | Very low | 36.8 | Very low | 4 Ų | 4 | 66.8 Ų | 66.8 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 156.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F134 | F134-G145 PolarHBondContact N-O 3.15Å; F134-G145 PolarHBondContact O-N 2.91Å |
| 146 | C | 41.9 | Very low | 36.5 | Very low | 20 Ų | 20 | 68.9 Ų | 68.9 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.6 | 171.5 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | R131 W132 | R131-C146 VanDerWaalsContact CG-SG 3.53Å; R131-C146 PolarHBondContact NE-SG 2.95Å; W132-C146 CarbonylContact O-C 3.59Å; W132-C146 WeakPolarHBondContact O-CA 3.34Å |
| 147 | L | 44.8 | Very low | 35.8 | Very low | 21 Ų | 21 | 74.5 Ų | 74.5 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.9 | 167.7 | -169.4 | 73.1 | 0 | 0 | 0 | 108.3 | R131 W132 F134 V149 F180 V182 | R131-L147 CarbonylContact C-O 3.59Å; R131-L147 WeakPolarHBondContact CA-O 3.21Å; W132-L147 HydrophobicContact CB-CB 4.21Å; W132-L147 HydrophobicContact CD2-CD2 4.24Å; W132-L147 HydrophobicContact CE3-CD2 3.36Å; W132-L147 HydrophobicContact CZ3-CD2 3.73Å; W132-L147 PolarHBondContact N-O 3.26Å; W132-L147 PolarHBondContact O-N 2.74Å; F134-L147 HydrophobicContact CE1-CB 4.32Å; L147-V149 HydrophobicContact CD2-CG2 3.76Å; L147-V149 HydrophobicContact CG-CG2 3.98Å; L147-F180 HydrophobicContact CD1-CB 4.03Å; L147-F180 HydrophobicContact CD1-CD1 3.71Å; L147-F180 HydrophobicContact CD1-CG 4.27Å; L147-F180 HydrophobicContact CD2-CD1 4.15Å; L147-F180 HydrophobicContact CD2-CE1 4.38Å; L147-F180 HydrophobicContact CG-CD1 4.14Å; L147-V182 HydrophobicContact CD1-CG2 4.12Å |
| 148 | I | 42.1 | Very low | 35.4 | Very low | 42 Ų | 42 | 75.7 Ų | 75.7 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.5 | 168.9 | -56.4 | 174.7 | 0 | 0 | 0 | 107.1 | V129 W130 I150 | V129-I148 HydrophobicContact CG1-CG2 4.04Å; W130-I148 WeakPolarHBondContact O-CA 3.29Å; I148-I150 HydrophobicContact CG2-CG1 4.19Å |
| 149 | V | 42.7 | Very low | 34.7 | Very low | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.055 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.5 | 175.5 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | V129 W130 L147 Y178 F180 | V129-V149 CarbonylContact C-O 3.59Å; V129-V149 WeakPolarHBondContact CA-O 3.23Å; W130-V149 HydrophobicContact CB-CB 4.21Å; W130-V149 PolarHBondContact N-O 2.97Å; W130-V149 PolarHBondContact O-N 2.98Å; L147-V149 HydrophobicContact CD2-CG2 3.76Å; L147-V149 HydrophobicContact CG-CG2 3.98Å; V149-Y178 HydrophobicContact CG1-CD1 3.91Å; V149-F180 HydrophobicContact CG1-CE1 4.47Å; V149-F180 HydrophobicContact CG2-CD1 4.11Å; V149-F180 HydrophobicContact CG2-CE1 3.97Å |
| 150 | I | 40.7 | Very low | 34.2 | Very low | 39 Ų | 39 | 74.6 Ų | 74.6 | 20% | 0.2 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.7 | 174.4 | -56.4 | 174.7 | 0 | 0 | 0 | 107 | V126 V129 I148 | V126-I150 HydrophobicContact CG1-CG2 3.86Å; V126-I150 HydrophobicContact CG2-CG2 4.29Å; V129-I150 HydrophobicContact CG1-CG1 4.46Å; V129-I150 HydrophobicContact CG2-CG1 4.46Å; I148-I150 HydrophobicContact CG2-CG1 4.19Å |
| 151 | C | 40.1 | Very low | 33.8 | Very low | 23 Ų | 23 | 79.3 Ų | 79.3 | 16% | 0.155 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.2 | 175.3 | -59 | 0 | 0 | 0 | 0 | 109.6 | V126 S127 S128 | V126-C151 WeakPolarHBondContact CA-O 3.15Å; S127-C151 PolarHBondContact N-O 3.09Å; S127-C151 PolarHBondContact OG-O 2.77Å; S128-C151 PolarHBondContact O-N 2.84Å; S128-C151 VanDerWaalsContact OG-CB 3.25Å; S128-C151 WeakPolarHBondContact OG-CB 3.25Å; S128-C151 PolarHBondContact OG-SG 2.99Å; S128-C151 VanDerWaalsContact OG-SG 3.39Å |
| 152 | H | 35.6 | Very low | 33.4 | Very low | 72 Ų | 72 | 81 Ų | 81 | 33% | 0.333 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.7 | 170.6 | -68.8 | -83.9 | 0 | 0 | 0 | 110.1 | R125 V126 H154 | R125-H152 WeakPolarHBondContact O-CA 3.27Å; R125-H152 WeakPolarHBondContact O-CB 3Å; R125-H152 PolarHBondContact O-ND1 3.03Å; V126-H152 VanDerWaalsContact CG2-CE1 3.4Å; V126-H152 WeakPolarHBondContact CG2-CE1 3.39Å; H152-H154 PolarHBondContact O-N 2.9Å |
| 153 | H | 33.3 | Very low | 33 | Very low | 133 Ų | 133 | 83.8 Ų | 83.8 | 62% | 0.616 | 45% | 0.451 | S | S | * | . | trans | -76.5 | 108 | 161.6 | -88.2 | -54.1 | 0 | 0 | 0 | 108.4 | R125 S127 T155 | R125-H153 PolarHBondContact O-N 3.15Å; S127-H153 WeakPolarHBondContact CB-CD2 3.22Å; H153-T155 PolarHBondContact O-N 3.25Å | ||
| 154 | H | 32.5 | Very low | 32.3 | Very low | 86 Ų | 86 | 92.4 Ų | 92.4 | 40% | 0.398 | 48% | 0.479 | S | S | . | . | trans | -77.9 | 96.2 | 160.2 | -79.9 | -85.5 | 0 | 0 | 0 | 108.1 | H152 S156 T174 | H152-H154 PolarHBondContact O-N 2.9Å; H154-S156 PolarHBondContact O-N 2.63Å; H154-T174 WeakPolarHBondContact O-CG2 3.17Å | ||
| 155 | T | 26.5 | Very low | 31.9 | Very low | 87 Ų | 87 | 98 Ų | 98 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | trans | -66.4 | 113.1 | 150.3 | 39.5 | 0 | 0 | 0 | 0 | 106.4 | H153 F157 | H153-T155 PolarHBondContact O-N 3.25Å; T155-F157 VanDerWaalsContact C-N 3.27Å; T155-F157 PolarHBondContact O-N 3.42Å | ||
| 156 | S | 26.6 | Very low | 31.1 | Very low | 83 Ų | 83 | 107 Ų | 107 | 58% | 0.58 | 54% | 0.539 | S | S | * | . | trans | -60.4 | 92.1 | 170.9 | 46.5 | 0 | 0 | 0 | 0 | 108.4 | H154 H158 | H154-S156 PolarHBondContact O-N 2.63Å; S156-H158 VanDerWaalsContact C-N 3.27Å; S156-H158 PolarHBondContact O-N 3.43Å | ||
| 157 | F | 24.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 66% | 0.662 | 58% | 0.575 | S | S | * | * | trans | -70.4 | 93.4 | 163 | -83.7 | -87.8 | 0 | 0 | 0 | 107.1 | T155 S159 | T155-F157 VanDerWaalsContact C-N 3.27Å; T155-F157 PolarHBondContact O-N 3.42Å; F157-S159 PolarHBondContact O-N 2.93Å | ||
| 158 | H | 24.5 | Very low | 29.5 | Very low | 167 Ų | 167 | 118 Ų | 118 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | trans | -67.3 | 79 | 158.4 | -73 | -64 | 0 | 0 | 0 | 107.9 | S156 N160 | S156-H158 VanDerWaalsContact C-N 3.27Å; S156-H158 PolarHBondContact O-N 3.43Å; H158-N160 PolarHBondContact O-N 3.23Å | ||
| 159 | S | 22.6 | Very low | 28.8 | Very low | 93 Ų | 93 | 126.6 Ų | 126.6 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | trans | -75.5 | 106.6 | 167.5 | 58.9 | 0 | 0 | 0 | 0 | 108.2 | F157 | F157-S159 PolarHBondContact O-N 2.93Š| ||
| 160 | N | 22.9 | Very low | 28.1 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 80.4 | 115.5 | 157.3 | -52.2 | -26.3 | 0 | 0 | 0 | 116.6 | H158 | H158-N160 PolarHBondContact O-N 3.23Š|
| 161 | Q | 22.6 | Very low | 27.4 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | 78.3 | 81.5 | 155.5 | -56.1 | 179.6 | -8 | 0 | 0 | 117.6 | ||||
| 162 | V | 24.4 | Very low | 26.8 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | -132.5 | 113.2 | 127.9 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | R164 | V162-R164 PolarHBondContact O-N 2.87Š| |||
| 163 | V | 26 | Very low | 26.5 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -59.6 | 124.8 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 108.5 | E165 | V163-E165 PolarHBondContact O-N 3.21Š| ||
| 164 | R | 23.5 | Very low | 26.2 | Very low | 240 Ų | 240 | 141.8 Ų | 141.8 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | trans | 11.8 | 101.5 | 158.8 | -63.8 | 179.5 | 177.7 | -176 | -1.2 | 115.8 | V162 | V162-R164 PolarHBondContact O-N 2.87Š| ||
| 165 | E | 27.8 | Very low | 26 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | -123.1 | 125.9 | 147.3 | -88.7 | -171.5 | 159.9 | 0 | 0 | 110.4 | V163 | V163-E165 PolarHBondContact O-N 3.21Š| ||
| 166 | K | 26.9 | Very low | 26.1 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -64.1 | 146.1 | 171.2 | -72.1 | 172.6 | 167.9 | -179.9 | 0 | 109.4 | ||||
| 167 | E | 26.1 | Very low | 26.2 | Very low | 193 Ų | 193 | 143 Ų | 143 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | 56.4 | 94.8 | 151.8 | -65.5 | 178.5 | 167.3 | 0 | 0 | 117.5 | ||||
| 168 | G | 28.4 | Very low | 26.4 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | -173 | 114.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G170 | G168-G170 PolarHBondContact O-N 3.28Š| ||
| 169 | K | 26.5 | Very low | 26.7 | Very low | 223 Ų | 223 | 139 Ų | 139 | 97% | 0.97 | 74% | 0.738 | S | S | * | * | trans | -53.9 | 128.5 | 179.3 | -62.3 | 167.8 | 177.2 | 175 | 0 | 111.7 | ||||
| 170 | G | 28.8 | Very low | 27.1 | Very low | 59 Ų | 59 | 137.5 Ų | 137.5 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | trans | -164.9 | 113 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G168 H172 | G168-G170 PolarHBondContact O-N 3.28Å; G170-H172 PolarHBondContact O-N 3.22Å | ||
| 171 | A | 26.2 | Very low | 27.4 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 85% | 0.851 | 70% | 0.699 | S | S | * | * | trans | -61.7 | 121.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q173 | A171-Q173 PolarHBondContact O-N 3.17Š| ||
| 172 | H | 27.7 | Very low | 27.7 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 81% | 0.81 | 67% | 0.667 | S | S | * | * | trans | -83.6 | 93.2 | 173.9 | -69.1 | -71.4 | 0 | 0 | 0 | 110.2 | G170 | G170-H172 PolarHBondContact O-N 3.22Š| ||
| 173 | Q | 27.9 | Very low | 27.9 | Very low | 161 Ų | 161 | 121.3 Ų | 121.3 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | trans | -83.9 | 120.1 | 164 | -83.8 | -173.2 | -7.9 | 0 | 0 | 110.3 | E80 A171 | E80-Q173 PolarHBondContact OE1-NE2 3.04Å; A171-Q173 PolarHBondContact O-N 3.17Å | ||
| 174 | T | 27.9 | Very low | 27.9 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | trans | -80.5 | 118.6 | 176.1 | -12.8 | 0 | 0 | 0 | 0 | 110 | H154 G176 | H154-T174 WeakPolarHBondContact O-CG2 3.17Å; T174-G176 PolarHBondContact O-N 3.35Å | ||
| 175 | K | 27.7 | Very low | 28 | Very low | 164 Ų | 164 | 110.3 Ų | 110.3 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | trans | -67.2 | 113.9 | 170.7 | -83.6 | -175.9 | 173.7 | -176.3 | 0 | 110.2 | ||||
| 176 | G | 27.8 | Very low | 27.8 | Very low | 43 Ų | 43 | 108.9 Ų | 108.9 | 44% | 0.443 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 134.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T174 | T174-G176 PolarHBondContact O-N 3.35Š|
| 177 | T | 29.2 | Very low | 27.9 | Very low | 73 Ų | 73 | 104.7 Ų | 104.7 | 45% | 0.448 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -98 | 122 | 167.3 | -52.3 | 0 | 0 | 0 | 0 | 107.7 | ||
| 178 | Y | 29.7 | Very low | 28 | Very low | 99 Ų | 99 | 100 Ų | 100 | 39% | 0.388 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -99.6 | 127.2 | 176.6 | -60.4 | -87.5 | 0 | 0 | 0 | 109.3 | N73 V149 F180 | N73-Y178 PolarHBondContact OD1-O 2.86Å; V149-Y178 HydrophobicContact CG1-CD1 3.91Å; Y178-F180 HydrophobicContact CG-CZ 4.21Å |
| 179 | M | 29.4 | Very low | 28 | Very low | 135 Ų | 135 | 101.3 Ų | 101.3 | 67% | 0.665 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.9 | 167.5 | -75.7 | -178.8 | 58 | 0 | 0 | 108.7 | ||
| 180 | F | 31.1 | Very low | 28.1 | Very low | 62 Ų | 62 | 94.1 Ų | 94.1 | 27% | 0.272 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.4 | 178.1 | -55.5 | -78.1 | 0 | 0 | 0 | 109.4 | L71 L147 V149 Y178 | L71-F180 WeakPolarHBondContact CD2-O 3.06Å; L147-F180 HydrophobicContact CD1-CB 4.03Å; L147-F180 HydrophobicContact CD1-CD1 3.71Å; L147-F180 HydrophobicContact CD1-CG 4.27Å; L147-F180 HydrophobicContact CD2-CD1 4.15Å; L147-F180 HydrophobicContact CD2-CE1 4.38Å; L147-F180 HydrophobicContact CG-CD1 4.14Å; V149-F180 HydrophobicContact CG1-CE1 4.47Å; V149-F180 HydrophobicContact CG2-CD1 4.11Å; V149-F180 HydrophobicContact CG2-CE1 3.97Å; Y178-F180 HydrophobicContact CG-CZ 4.21Å |
| 181 | A | 29.3 | Very low | 28 | Very low | 39 Ų | 39 | 96.3 Ų | 96.3 | 32% | 0.322 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.8 | 164 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 182 | V | 29.7 | Very low | 28.1 | Very low | 33 Ų | 33 | 95.9 Ų | 95.9 | 20% | 0.2 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 119 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | L71 L87 F134 L147 | L71-V182 HydrophobicContact CD2-CB 4.16Å; L71-V182 HydrophobicContact CD2-CG2 4.38Å; L71-V182 VanDerWaalsContact CD2-N 3.27Å; L87-V182 HydrophobicContact CD1-CG1 4.34Å; L87-V182 HydrophobicContact CD1-CG2 4.04Å; F134-V182 HydrophobicContact CZ-CG1 4.22Å; L147-V182 HydrophobicContact CD1-CG2 4.12Å |
| 183 | V | 27.7 | Very low | 28.2 | Very low | 60 Ų | 60 | 90.2 Ų | 90.2 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.5 | 167.6 | -175.4 | 0 | 0 | 0 | 0 | 106.6 | C14 | C14-V183 HydrophobicContact CB-CB 4.35Å; C14-V183 HydrophobicContact CB-CG1 3.95Å; C14-V183 HydrophobicContact CB-CG2 3.81Å |
| 184 | A | 27 | Very low | 28.2 | Very low | 44 Ų | 44 | 84.8 Ų | 84.8 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | C69 | C69-A184 HydrophobicContact CB-CB 4.45Å; C69-A184 WeakPolarHBondContact SG-CB 3.2Å |
| 185 | S | 26 | Very low | 28.2 | Very low | 88 Ų | 88 | 83.7 Ų | 83.7 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | trans | -88.6 | 141.1 | 162.7 | 87.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 186 | A | 24 | Very low | 28.3 | Very low | 164 Ų | 164 | 76.4 Ų | 76.4 | 100% | 1.355 | 49% | 0.494 | S | S | * | . | trans | -73.1 | 0 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 186 of 186 residues in 63.5 ms
(Link to these results)