| 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 | 42.6 | Very low | 43.8 | Very low | 240 Ų | 240 | 120.4 Ų | 120.4 | 100% | 1.182 | 68% | 0.676 | S | S | * | * | 0 | 143.8 | 0 | -71.9 | -176.4 | 170.7 | 0 | 0 | 109 | L3 | M1-L3 PolarHBondContact O-N 3.08Š| |||
| 2 | R | 45.7 | Very low | 44.9 | Very low | 204 Ų | 204 | 123.8 Ų | 123.8 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | trans | -71.9 | 88.8 | -155 | -63.6 | 172 | 175 | 172.9 | -1.8 | 113.3 | S4 A5 | R2-S4 PolarHBondContact O-N 3.04Å; R2-A5 HydrophobicContact CB-CB 3.92Å; R2-A5 PolarHBondContact O-N 3.33Å; R2-A5 VanDerWaalsContact O-N 3.08Å | ||
| 3 | L | 40.9 | Very low | 46.7 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -53.3 | -32 | 167.3 | -78.7 | 165.9 | 0 | 0 | 0 | 111.7 | M1 A5 L7 | M1-L3 PolarHBondContact O-N 3.08Å; L3-A5 VanDerWaalsContact C-N 3.35Å; L3-A5 PolarHBondContact O-N 3.2Å; L3-L7 WeakPolarHBondContact O-CB 2.91Å; L3-L7 PolarHBondContact O-N 3.47Å; L3-L7 VanDerWaalsContact O-N 3.09Å |
| 4 | S | 51 | Low | 48.9 | Very low | 87 Ų | 87 | 122.1 Ų | 122.1 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -60.8 | -35.4 | 175.8 | 46.9 | 0 | 0 | 0 | 0 | 114.3 | R2 A8 | R2-S4 PolarHBondContact O-N 3.04Å; S4-A8 VanDerWaalsContact O-CB 3.29Å; S4-A8 WeakPolarHBondContact O-CB 3.37Å; S4-A8 PolarHBondContact O-N 3.39Å |
| 5 | A | 41.2 | Very low | 51.1 | Low | 47 Ų | 47 | 117.5 Ų | 117.5 | 39% | 0.388 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -75.8 | -38.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2 L3 L9 | R2-A5 HydrophobicContact CB-CB 3.92Å; R2-A5 PolarHBondContact O-N 3.33Å; R2-A5 VanDerWaalsContact O-N 3.08Å; L3-A5 VanDerWaalsContact C-N 3.35Å; L3-A5 PolarHBondContact O-N 3.2Å; A5-L9 PolarHBondContact O-N 3.21Å; A5-L9 VanDerWaalsContact O-N 3.14Å |
| 6 | L | 37.6 | Very low | 52.9 | Low | 129 Ų | 129 | 113.8 Ų | 113.8 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.6 | -36.8 | 174.2 | -81.7 | 168.8 | 0 | 0 | 0 | 111.7 | L9 A10 | L6-L9 PolarHBondContact O-N 3.22Å; L6-A10 WeakPolarHBondContact O-CB 2.71Å; L6-A10 PolarHBondContact O-N 3.23Å |
| 7 | L | 43.8 | Very low | 54.3 | Low | 127 Ų | 127 | 113.9 Ų | 113.9 | 67% | 0.665 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.8 | -36.2 | 176.5 | -141.3 | 143.4 | 0 | 0 | 0 | 111.7 | L3 L9 A10 S11 | L3-L7 WeakPolarHBondContact O-CB 2.91Å; L3-L7 PolarHBondContact O-N 3.47Å; L3-L7 VanDerWaalsContact O-N 3.09Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-A10 PolarHBondContact O-N 3.21Å; L7-S11 PolarHBondContact O-N 3.4Å; L7-S11 VanDerWaalsContact O-N 3.17Å |
| 8 | A | 43.6 | Very low | 55.5 | Low | 59 Ų | 59 | 114.6 Ų | 114.6 | 49% | 0.488 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -68.5 | -28.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S4 S11 | S4-A8 VanDerWaalsContact O-CB 3.29Å; S4-A8 WeakPolarHBondContact O-CB 3.37Å; S4-A8 PolarHBondContact O-N 3.39Å; A8-S11 PolarHBondContact O-OG 3.08Å; A8-S11 VanDerWaalsContact O-OG 3.13Å |
| 9 | L | 41.7 | Very low | 57.2 | Low | 119 Ų | 119 | 109.7 Ų | 109.7 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.8 | -38.3 | 171.2 | -107.2 | 148.3 | 0 | 0 | 0 | 111.6 | A5 L6 L7 S11 | A5-L9 PolarHBondContact O-N 3.21Å; A5-L9 VanDerWaalsContact O-N 3.14Å; L6-L9 PolarHBondContact O-N 3.22Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 3.19Å |
| 10 | A | 39.5 | Very low | 58.7 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.4 | -18 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L6 L7 | L6-A10 WeakPolarHBondContact O-CB 2.71Å; L6-A10 PolarHBondContact O-N 3.23Å; L7-A10 PolarHBondContact O-N 3.21Å |
| 11 | S | 53.8 | Low | 60.2 | Low | 83 Ų | 83 | 108.7 Ų | 108.7 | 58% | 0.58 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 2.6 | -179.8 | 69.6 | 0 | 0 | 0 | 0 | 114.8 | L7 A8 L9 V13 | L7-S11 PolarHBondContact O-N 3.4Å; L7-S11 VanDerWaalsContact O-N 3.17Å; A8-S11 PolarHBondContact O-OG 3.08Å; A8-S11 VanDerWaalsContact O-OG 3.13Å; L9-S11 VanDerWaalsContact C-N 3.25Å; L9-S11 PolarHBondContact O-N 3.19Å; S11-V13 PolarHBondContact O-N 3.08Å |
| 12 | K | 56.9 | Low | 62.6 | Low | 162 Ų | 162 | 98.3 Ų | 98.3 | 70% | 0.704 | 54% | 0.543 | S | S | * | . | trans | -69.8 | 103 | 173.7 | -76.2 | -171.8 | 179.4 | -178.7 | 0 | 109.1 | T14 | K12-T14 PolarHBondContact O-N 3.09Å; K12-T14 VanDerWaalsContact O-N 3.13Å | ||
| 13 | V | 68.3 | Low | 64.7 | Low | 86 Ų | 86 | 91.6 Ų | 91.6 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | trans | -51.6 | 119 | 175.4 | 180 | 0 | 0 | 0 | 0 | 109.1 | S11 L15 | S11-V13 PolarHBondContact O-N 3.08Å; V13-L15 HydrophobicContact CB-CD2 4.34Å; V13-L15 HydrophobicContact CG1-CD2 3.75Å; V13-L15 PolarHBondContact O-N 2.86Å | ||
| 14 | T | 77.5 | Confident | 67.1 | Low | 137 Ų | 137 | 85.6 Ų | 85.6 | 84% | 0.84 | 49% | 0.491 | S | S | * | . | trans | -71.5 | 108 | 173.6 | 51.3 | 0 | 0 | 0 | 0 | 108.8 | K12 | K12-T14 PolarHBondContact O-N 3.09Å; K12-T14 VanDerWaalsContact O-N 3.13Å | ||
| 15 | L | 82.4 | Confident | 68.8 | Low | 53 Ų | 53 | 85.6 Ų | 85.6 | 28% | 0.277 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 144.9 | -177.2 | -58.6 | 174.9 | 0 | 0 | 0 | 110.9 | V13 Y19 Y21 P26 | V13-L15 HydrophobicContact CB-CD2 4.34Å; V13-L15 HydrophobicContact CG1-CD2 3.75Å; V13-L15 PolarHBondContact O-N 2.86Å; L15-Y19 HydrophobicContact CB-CD1 4.48Å; L15-Y19 HydrophobicContact CB-CD2 4.06Å; L15-Y19 HydrophobicContact CB-CG 3.92Å; L15-Y19 HydrophobicContact CD1-CD1 3.71Å; L15-Y19 HydrophobicContact CD1-CD2 4.46Å; L15-Y19 HydrophobicContact CD1-CE1 3.91Å; L15-Y19 HydrophobicContact CD1-CG 4.02Å; L15-Y19 HydrophobicContact CD2-CD2 3.95Å; L15-Y19 HydrophobicContact CD2-CE1 4.37Å; L15-Y19 HydrophobicContact CD2-CE2 3.85Å; L15-Y19 HydrophobicContact CD2-CG 4.33Å; L15-Y19 HydrophobicContact CG-CD1 4.46Å; L15-Y19 HydrophobicContact CG-CD2 4.37Å; L15-Y19 HydrophobicContact CG-CG 4.3Å; L15-Y21 HydrophobicContact CD1-CE1 3.72Å; L15-Y21 WeakPolarHBondContact CD1-OH 3.13Å; L15-P26 HydrophobicContact CD2-CB 3.61Å |
| 16 | P | 80.2 | Confident | 71.1 | Confident | 59 Ų | 59 | 86 Ų | 86 | 38% | 0.383 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 156 | 176.3 | 25.7 | -35.1 | 0 | 0 | 0 | 111.6 | H18 Y19 | P16-H18 PolarHBondContact O-N 3.37Å; P16-Y19 HydrophobicContact CG-CD2 3.96Å; P16-Y19 VanDerWaalsContact O-CB 3.32Å; P16-Y19 WeakPolarHBondContact O-CB 3.36Å; P16-Y19 PolarHBondContact O-N 3.3Å |
| 17 | P | 75.9 | Confident | 73.3 | Confident | 115 Ų | 115 | 81.3 Ų | 81.3 | 75% | 0.747 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 141 | 170.2 | -23.4 | 33.2 | 0 | 0 | 0 | 111.1 | Y19 | P17-Y19 PolarHBondContact O-N 2.93Š|
| 18 | H | 77.3 | Confident | 75.4 | Confident | 126 Ų | 126 | 77 Ų | 77 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 28.6 | -177.5 | -46.1 | -68.7 | 0 | 0 | 0 | 114.9 | P16 R20 | P16-H18 PolarHBondContact O-N 3.37Å; H18-R20 PolarHBondContact O-N 3.02Å |
| 19 | Y | 86.6 | Confident | 77.7 | Confident | 22 Ų | 22 | 78.8 Ų | 78.8 | 9% | 0.086 | 46% | 0.455 | C | S | . | . | trans | -52.1 | 129.3 | 174.3 | -178.3 | -94.3 | 0 | 0 | 0 | 112.3 | L15 P16 P17 Y21 P26 D31 N35 | L15-Y19 HydrophobicContact CB-CD1 4.48Å; L15-Y19 HydrophobicContact CB-CD2 4.06Å; L15-Y19 HydrophobicContact CB-CG 3.92Å; L15-Y19 HydrophobicContact CD1-CD1 3.71Å; L15-Y19 HydrophobicContact CD1-CD2 4.46Å; L15-Y19 HydrophobicContact CD1-CE1 3.91Å; L15-Y19 HydrophobicContact CD1-CG 4.02Å; L15-Y19 HydrophobicContact CD2-CD2 3.95Å; L15-Y19 HydrophobicContact CD2-CE1 4.37Å; L15-Y19 HydrophobicContact CD2-CE2 3.85Å; L15-Y19 HydrophobicContact CD2-CG 4.33Å; L15-Y19 HydrophobicContact CG-CD1 4.46Å; L15-Y19 HydrophobicContact CG-CD2 4.37Å; L15-Y19 HydrophobicContact CG-CG 4.3Å; P16-Y19 HydrophobicContact CG-CD2 3.96Å; P16-Y19 VanDerWaalsContact O-CB 3.32Å; P16-Y19 WeakPolarHBondContact O-CB 3.36Å; P16-Y19 PolarHBondContact O-N 3.3Å; P17-Y19 PolarHBondContact O-N 2.93Å; Y19-Y21 AromaticContact CD1-CD1 3.82Å; Y19-Y21 HydrophobicContact CD1-CD1 3.82Å; Y19-Y21 AromaticContact CD1-CD2 3.91Å; Y19-Y21 HydrophobicContact CD1-CD2 3.91Å; Y19-Y21 AromaticContact CD1-CE1 3.79Å; Y19-Y21 HydrophobicContact CD1-CE1 3.79Å; Y19-Y21 AromaticContact CD1-CE2 3.9Å; Y19-Y21 HydrophobicContact CD1-CE2 3.9Å; Y19-Y21 AromaticContact CD1-CG 3.87Å; Y19-Y21 HydrophobicContact CD1-CG 3.87Å; Y19-Y21 AromaticContact CD1-CZ 3.83Å; Y19-Y21 AromaticContact CE1-CD1 3.48Å; Y19-Y21 HydrophobicContact CE1-CD1 3.48Å; Y19-Y21 VanDerWaalsContact CE1-CD1 3.48Å; Y19-Y21 HydrophobicContact CE1-CD2 4.34Å; Y19-Y21 AromaticContact CE1-CE1 3.71Å; Y19-Y21 HydrophobicContact CE1-CE1 3.71Å; Y19-Y21 AromaticContact CE1-CG 3.81Å; Y19-Y21 HydrophobicContact CE1-CG 3.81Å; Y19-P26 HydrophobicContact CE1-CB 4.49Å; Y19-P26 HydrophobicContact CE1-CG 4.41Å; Y19-P26 WeakPolarHBondContact OH-CA 3.41Å; Y19-P26 WeakPolarHBondContact OH-CB 3.41Å; Y19-D31 WeakPolarHBondContact CE2-OD2 3.46Å; Y19-D31 PolarHBondContact OH-OD1 3.38Å; Y19-D31 PolarHBondContact OH-OD2 2.81Å; Y19-N35 WeakPolarHBondContact CD2-ND2 3.32Å; Y19-N35 HydrophobicContact CE2-CB 4.47Å; Y19-N35 VanDerWaalsContact CE2-ND2 3.28Å; Y19-N35 WeakPolarHBondContact CE2-ND2 3.15Å | ||
| 20 | R | 88.4 | Confident | 79.9 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 50% | 0.498 | 44% | 0.444 | S | S | . | . | trans | -97.3 | 96.8 | 177.6 | -174.9 | 169.9 | -176.9 | 157.2 | -0.4 | 110 | H18 G22 N35 | H18-R20 PolarHBondContact O-N 3.02Å; R20-G22 PolarHBondContact O-N 3.17Å; R20-N35 PolarHBondContact N-ND2 3Å | ||
| 21 | Y | 90.1 | Very high | 82.3 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | trans | -53.5 | 129 | 170.5 | -64.3 | -84 | 0 | 0 | 0 | 111.3 | L15 Y19 Q82 R83 | L15-Y21 HydrophobicContact CD1-CE1 3.72Å; L15-Y21 WeakPolarHBondContact CD1-OH 3.13Å; Y19-Y21 AromaticContact CD1-CD1 3.82Å; Y19-Y21 HydrophobicContact CD1-CD1 3.82Å; Y19-Y21 AromaticContact CD1-CD2 3.91Å; Y19-Y21 HydrophobicContact CD1-CD2 3.91Å; Y19-Y21 AromaticContact CD1-CE1 3.79Å; Y19-Y21 HydrophobicContact CD1-CE1 3.79Å; Y19-Y21 AromaticContact CD1-CE2 3.9Å; Y19-Y21 HydrophobicContact CD1-CE2 3.9Å; Y19-Y21 AromaticContact CD1-CG 3.87Å; Y19-Y21 HydrophobicContact CD1-CG 3.87Å; Y19-Y21 AromaticContact CD1-CZ 3.83Å; Y19-Y21 AromaticContact CE1-CD1 3.48Å; Y19-Y21 HydrophobicContact CE1-CD1 3.48Å; Y19-Y21 VanDerWaalsContact CE1-CD1 3.48Å; Y19-Y21 HydrophobicContact CE1-CD2 4.34Å; Y19-Y21 AromaticContact CE1-CE1 3.71Å; Y19-Y21 HydrophobicContact CE1-CE1 3.71Å; Y19-Y21 AromaticContact CE1-CG 3.81Å; Y19-Y21 HydrophobicContact CE1-CG 3.81Å; Y21-Q82 HydrophobicContact CD1-CB 3.71Å; Y21-Q82 HydrophobicContact CD1-CG 3.8Å; Y21-Q82 HydrophobicContact CD2-CB 3.55Å; Y21-Q82 HydrophobicContact CD2-CG 4.17Å; Y21-Q82 HydrophobicContact CE1-CB 3.91Å; Y21-Q82 HydrophobicContact CE1-CG 3.52Å; Y21-Q82 HydrophobicContact CE2-CB 3.74Å; Y21-Q82 HydrophobicContact CE2-CG 3.9Å; Y21-Q82 HydrophobicContact CG-CB 3.54Å; Y21-Q82 HydrophobicContact CG-CG 4.13Å; Y21-R83 PolarHBondContact O-NE 3.32Å | ||
| 22 | G | 91.9 | Very high | 84 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 24% | 0.237 | 41% | 0.412 | C | S | . | . | trans | -133.3 | -166.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | R20 S24 | R20-G22 PolarHBondContact O-N 3.17Å; G22-S24 VanDerWaalsContact C-N 3.31Å | ||
| 23 | M | 90.8 | Very high | 85.6 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -77 | -16.4 | 178.1 | -60.7 | -170.7 | -69.4 | 0 | 0 | 114.2 | Q78 I80 V87 P114 | M23-Q78 PolarHBondContact O-NE2 2.95Å; M23-Q78 PolarHBondContact O-OE1 3.3Å; M23-I80 HydrophobicContact CB-CD1 4.25Å; M23-I80 HydrophobicContact CG-CD1 3.92Å; M23-V87 HydrophobicContact SD-CG2 4.23Å; M23-P114 HydrophobicContact CG-CG 4.46Å; M23-P114 HydrophobicContact SD-CG 4.19Å |
| 24 | S | 90.8 | Very high | 86.5 | Confident | 17 Ų | 17 | 77.4 Ų | 77.4 | 12% | 0.119 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -81.2 | 136.4 | 179.3 | -61.2 | 0 | 0 | 0 | 0 | 109.6 | G22 K34 | G22-S24 VanDerWaalsContact C-N 3.31Å; S24-K34 PolarHBondContact OG-NZ 2.63Å |
| 25 | P | 87.1 | Confident | 87.1 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 135 | 175.4 | -26.8 | 34.8 | 0 | 0 | 0 | 111.2 | G27 S28 D31 | P25-G27 PolarHBondContact O-N 3.4Å; P25-S28 VanDerWaalsContact O-CB 3.24Å; P25-S28 WeakPolarHBondContact O-CB 3.29Å; P25-S28 PolarHBondContact O-N 2.95Å; P25-S28 VanDerWaalsContact O-N 3.12Å; P25-S28 PolarHBondContact O-OG 2.84Å; P25-D31 WeakPolarHBondContact O-CB 3.47Å |
| 26 | P | 88.4 | Confident | 87.3 | Confident | 57 Ų | 57 | 69.9 Ų | 69.9 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 132.4 | -178.7 | -24.2 | 32.5 | 0 | 0 | 0 | 112.6 | L15 Y19 S28 D31 | L15-P26 HydrophobicContact CD2-CB 3.61Å; Y19-P26 HydrophobicContact CE1-CB 4.49Å; Y19-P26 HydrophobicContact CE1-CG 4.41Å; Y19-P26 WeakPolarHBondContact OH-CA 3.41Å; Y19-P26 WeakPolarHBondContact OH-CB 3.41Å; P26-S28 VanDerWaalsContact C-N 3.32Å; P26-S28 PolarHBondContact O-N 3.14Å; P26-D31 WeakPolarHBondContact CA-OD2 3.35Å |
| 27 | G | 84.9 | Confident | 87.4 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -9.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P25 D31 K32 | P25-G27 PolarHBondContact O-N 3.4Å; G27-D31 PolarHBondContact N-OD2 2.83Å; G27-K32 WeakPolarHBondContact O-CE 3.43Å |
| 28 | S | 88.1 | Confident | 87.7 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -62.2 | 158.5 | 171.7 | 67 | 0 | 0 | 0 | 0 | 112 | P25 P26 A30 D31 K32 | P25-S28 VanDerWaalsContact O-CB 3.24Å; P25-S28 WeakPolarHBondContact O-CB 3.29Å; P25-S28 PolarHBondContact O-N 2.95Å; P25-S28 VanDerWaalsContact O-N 3.12Å; P25-S28 PolarHBondContact O-OG 2.84Å; P26-S28 VanDerWaalsContact C-N 3.32Å; P26-S28 PolarHBondContact O-N 3.14Å; S28-A30 PolarHBondContact O-N 2.69Å; S28-D31 WeakPolarHBondContact O-CB 3.48Å; S28-D31 PolarHBondContact O-N 3.39Å; S28-D31 VanDerWaalsContact O-N 3.09Å; S28-D31 VanDerWaalsContact OG-CB 3.26Å; S28-D31 WeakPolarHBondContact OG-CB 3.47Å; S28-D31 PolarHBondContact OG-N 3.34Å; S28-K32 WeakPolarHBondContact O-CG 3.5Å; S28-K32 PolarHBondContact O-N 2.97Å |
| 29 | V | 90.4 | Very high | 88.1 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 59% | 0.588 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.3 | -40.1 | 177.5 | 178 | 0 | 0 | 0 | 0 | 111.3 | R33 | V29-R33 VanDerWaalsContact O-CG 3.3Å; V29-R33 WeakPolarHBondContact O-CG 3.15Å; V29-R33 PolarHBondContact O-N 2.87Å |
| 30 | A | 89.5 | Confident | 87.9 | Confident | 47 Ų | 47 | 85.1 Ų | 85.1 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S28 K34 | S28-A30 PolarHBondContact O-N 2.69Å; A30-K34 WeakPolarHBondContact O-CG 3.28Å; A30-K34 PolarHBondContact O-N 3.24Å |
| 31 | D | 90.3 | Very high | 87.6 | Confident | 7 Ų | 7 | 82.5 Ų | 82.5 | 4% | 0.037 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.8 | -50.4 | 175.1 | 179.8 | 53.3 | 0 | 0 | 0 | 111.8 | Y19 P25 P26 G27 S28 R33 K34 N35 | Y19-D31 WeakPolarHBondContact CE2-OD2 3.46Å; Y19-D31 PolarHBondContact OH-OD1 3.38Å; Y19-D31 PolarHBondContact OH-OD2 2.81Å; P25-D31 WeakPolarHBondContact O-CB 3.47Å; P26-D31 WeakPolarHBondContact CA-OD2 3.35Å; G27-D31 PolarHBondContact N-OD2 2.83Å; S28-D31 WeakPolarHBondContact O-CB 3.48Å; S28-D31 PolarHBondContact O-N 3.39Å; S28-D31 VanDerWaalsContact O-N 3.09Å; S28-D31 VanDerWaalsContact OG-CB 3.26Å; S28-D31 WeakPolarHBondContact OG-CB 3.47Å; S28-D31 PolarHBondContact OG-N 3.34Å; D31-R33 PolarHBondContact O-N 3.25Å; D31-K34 CarbonylContact O-C 3.54Å; D31-K34 WeakPolarHBondContact O-CA 3.32Å; D31-K34 PolarHBondContact O-N 2.83Å; D31-N35 PolarHBondContact O-N 3.24Å |
| 32 | K | 88.8 | Confident | 87.4 | Confident | 136 Ų | 136 | 90.5 Ų | 90.5 | 59% | 0.591 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -56.4 | -37.7 | 177.4 | -71.5 | 175.3 | 176.2 | 172.2 | 0 | 112.7 | G27 S28 N35 | G27-K32 WeakPolarHBondContact O-CE 3.43Å; S28-K32 WeakPolarHBondContact O-CG 3.5Å; S28-K32 PolarHBondContact O-N 2.97Å; K32-N35 CarbonylContact O-C 3.53Å; K32-N35 VanDerWaalsContact O-C 3.31Å; K32-N35 PolarHBondContact O-N 2.94Å |
| 33 | R | 89.8 | Confident | 87 | Confident | 205 Ų | 205 | 93.4 Ų | 93.4 | 77% | 0.774 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -39.1 | 173.7 | -74.6 | 175.7 | -178.4 | -176.3 | 1.6 | 112.6 | V29 D31 | V29-R33 VanDerWaalsContact O-CG 3.3Å; V29-R33 WeakPolarHBondContact O-CG 3.15Å; V29-R33 PolarHBondContact O-N 2.87Å; D31-R33 PolarHBondContact O-N 3.25Å |
| 34 | K | 88.4 | Confident | 86.6 | Confident | 111 Ų | 111 | 93.4 Ų | 93.4 | 48% | 0.483 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -79 | -26.4 | 178.4 | -71.2 | 173.5 | -177.2 | 170.9 | 0 | 112.9 | S24 A30 D31 P36 R41 | S24-K34 PolarHBondContact OG-NZ 2.63Å; A30-K34 WeakPolarHBondContact O-CG 3.28Å; A30-K34 PolarHBondContact O-N 3.24Å; D31-K34 CarbonylContact O-C 3.54Å; D31-K34 WeakPolarHBondContact O-CA 3.32Å; D31-K34 PolarHBondContact O-N 2.83Å; K34-P36 VanDerWaalsContact C-CD 3.45Å; K34-R41 PolarHBondContact O-NH1 3.34Å; K34-R41 PolarHBondContact O-NH2 2.77Å |
| 35 | N | 89.1 | Confident | 86.4 | Confident | 17 Ų | 17 | 99 Ų | 99 | 9% | 0.091 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -128.4 | 67.7 | -177.2 | -156.9 | 26.4 | 0 | 0 | 0 | 111.9 | Y19 R20 D31 K32 R41 | Y19-N35 WeakPolarHBondContact CD2-ND2 3.32Å; Y19-N35 HydrophobicContact CE2-CB 4.47Å; Y19-N35 VanDerWaalsContact CE2-ND2 3.28Å; Y19-N35 WeakPolarHBondContact CE2-ND2 3.15Å; R20-N35 PolarHBondContact N-ND2 3Å; D31-N35 PolarHBondContact O-N 3.24Å; K32-N35 CarbonylContact O-C 3.53Å; K32-N35 VanDerWaalsContact O-C 3.31Å; K32-N35 PolarHBondContact O-N 2.94Å; N35-R41 PolarHBondContact OD1-NH1 2.83Å |
| 36 | P | 87.2 | Confident | 86.5 | Confident | 16 Ų | 16 | 97.8 Ų | 97.8 | 10% | 0.104 | 48% | 0.481 | C | S | . | . | trans | -68.2 | 146.3 | 177.8 | 27.3 | -34.5 | 0 | 0 | 0 | 111.5 | K34 W38 I39 | K34-P36 VanDerWaalsContact C-CD 3.45Å; P36-W38 HydrophobicContact CB-CD2 3.84Å; P36-W38 HydrophobicContact CB-CE3 3.89Å; P36-W38 HydrophobicContact CB-CH2 3.51Å; P36-W38 HydrophobicContact CB-CZ2 3.44Å; P36-W38 VanDerWaalsContact CB-CZ2 3.44Å; P36-W38 HydrophobicContact CB-CZ3 3.74Å; P36-W38 HydrophobicContact CG-CZ2 4.09Å; P36-W38 PolarHBondContact O-N 3.36Å; P36-W38 VanDerWaalsContact O-N 3.11Å; P36-I39 HydrophobicContact CG-CB 4Å; P36-I39 HydrophobicContact CG-CG2 3.9Å; P36-I39 WeakPolarHBondContact O-CG2 3.43Å; P36-I39 PolarHBondContact O-N 3.22Å | ||
| 37 | P | 81.4 | Confident | 86.6 | Confident | 117 Ų | 117 | 103.1 Ų | 103.1 | 76% | 0.76 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.7 | -174 | -25.3 | 33.3 | 0 | 0 | 0 | 115.4 | ||
| 38 | W | 82.2 | Confident | 87 | Confident | 213 Ų | 213 | 105.5 Ų | 105.5 | 81% | 0.807 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -9.4 | -176.1 | 60 | 90.3 | 0 | 0 | 0 | 113.9 | P36 R40 | P36-W38 HydrophobicContact CB-CD2 3.84Å; P36-W38 HydrophobicContact CB-CE3 3.89Å; P36-W38 HydrophobicContact CB-CH2 3.51Å; P36-W38 HydrophobicContact CB-CZ2 3.44Å; P36-W38 VanDerWaalsContact CB-CZ2 3.44Å; P36-W38 HydrophobicContact CB-CZ3 3.74Å; P36-W38 HydrophobicContact CG-CZ2 4.09Å; P36-W38 PolarHBondContact O-N 3.36Å; P36-W38 VanDerWaalsContact O-N 3.11Å; W38-R40 PolarHBondContact O-N 3.13Å |
| 39 | I | 85.1 | Confident | 87.3 | Confident | 72 Ų | 72 | 106.2 Ų | 106.2 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | trans | -84.1 | 113.5 | -177.6 | -153 | 162.9 | 0 | 0 | 0 | 110.7 | P36 R41 | P36-I39 HydrophobicContact CG-CB 4Å; P36-I39 HydrophobicContact CG-CG2 3.9Å; P36-I39 WeakPolarHBondContact O-CG2 3.43Å; P36-I39 PolarHBondContact O-N 3.22Å; I39-R41 HydrophobicContact CG1-CG 4.37Å; I39-R41 HydrophobicContact CG2-CG 4.34Å | ||
| 40 | R | 82.8 | Confident | 87.4 | Confident | 239 Ų | 239 | 104 Ų | 104 | 90% | 0.902 | 50% | 0.5 | S | S | * | . | trans | -88.2 | 126.3 | 170.8 | -63.1 | -174.2 | -178.7 | -176 | 0.7 | 109 | W38 | W38-R40 PolarHBondContact O-N 3.13Š| ||
| 41 | R | 83.6 | Confident | 87.5 | Confident | 77 Ų | 77 | 107.3 Ų | 107.3 | 29% | 0.291 | 51% | 0.511 | S | S | . | . | trans | -125.9 | 151.9 | 179.7 | -65.4 | 175.5 | 171.3 | 156.1 | -0.4 | 109.1 | K34 N35 I39 | K34-R41 PolarHBondContact O-NH1 3.34Å; K34-R41 PolarHBondContact O-NH2 2.77Å; N35-R41 PolarHBondContact OD1-NH1 2.83Å; I39-R41 HydrophobicContact CG1-CG 4.37Å; I39-R41 HydrophobicContact CG2-CG 4.34Å | ||
| 42 | R | 85.8 | Confident | 87.5 | Confident | 235 Ų | 235 | 113.4 Ų | 113.4 | 89% | 0.887 | 54% | 0.54 | S | S | * | . | trans | -62 | 134.7 | 166.7 | -67.2 | -175.9 | 179.2 | -179.3 | -0.5 | 108.7 | ||||
| 43 | P | 82 | Confident | 87.7 | Confident | 83 Ų | 83 | 111.4 Ų | 111.4 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | trans | -61.6 | 145.6 | 176.2 | 27.5 | -33.8 | 0 | 0 | 0 | 109 | ||||
| 44 | V | 83.5 | Confident | 88 | Confident | 64 Ų | 64 | 101.6 Ų | 101.6 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | trans | -91.4 | 115.4 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 107 | V46 R83 | V44-V46 VanDerWaalsContact C-N 3.3Å; V44-V46 HydrophobicContact CG1-CG2 3.73Å; V44-V46 PolarHBondContact O-N 3.32Å; V44-R83 VanDerWaalsContact CG2-NH1 3.26Å; V44-R83 VanDerWaalsContact CG2-NH2 3.25Å | ||
| 45 | V | 85.6 | Confident | 88.3 | Confident | 135 Ų | 135 | 98 Ų | 98 | 82% | 0.818 | 48% | 0.482 | S | S | * | . | trans | -79.7 | 84.1 | -179.7 | -169.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 46 | V | 89.2 | Confident | 88.6 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | trans | -128.4 | 120.1 | 170.5 | 173.6 | 0 | 0 | 0 | 0 | 106.2 | V44 P48 | V44-V46 VanDerWaalsContact C-N 3.3Å; V44-V46 HydrophobicContact CG1-CG2 3.73Å; V44-V46 PolarHBondContact O-N 3.32Å; V46-P48 WeakPolarHBondContact O-CD 3.5Å | ||
| 47 | E | 90.9 | Very high | 89 | Confident | 169 Ų | 169 | 97.7 Ų | 97.7 | 79% | 0.79 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -79 | 120.5 | 171.9 | -68.6 | 176.8 | 179 | 0 | 0 | 108.2 | N84 | E47-N84 PolarHBondContact O-ND2 3.45Š|
| 48 | P | 92.4 | Very high | 89.6 | Confident | 79 Ų | 79 | 93.8 Ų | 93.8 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 140.4 | 174.3 | 29.1 | -32.4 | 0 | 0 | 0 | 109.3 | V46 N84 | V46-P48 WeakPolarHBondContact O-CD 3.5Å; P48-N84 WeakPolarHBondContact CA-OD1 3.44Å |
| 49 | I | 94.5 | Very high | 90.2 | Very high | 52 Ų | 52 | 85.4 Ų | 85.4 | 27% | 0.267 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 142.9 | 168.1 | -62.5 | 162.9 | 0 | 0 | 0 | 107.9 | D53 W54 N84 H117 | I49-D53 HydrophobicContact CG2-CB 3.89Å; I49-W54 HydrophobicContact CB-CE3 3.88Å; I49-W54 HydrophobicContact CB-CZ3 4.27Å; I49-W54 HydrophobicContact CD1-CE3 4.18Å; I49-W54 HydrophobicContact CD1-CZ3 3.97Å; I49-W54 HydrophobicContact CG2-CE3 4.27Å; I49-N84 HydrophobicContact CD1-CB 4.4Å; I49-N84 PolarHBondContact N-OD1 3.44Å; I49-H117 HydrophobicContact CD1-CB 4.1Å |
| 50 | S | 94.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 82.4 Ų | 82.4 | 34% | 0.343 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 149.4 | 179 | 83.2 | 0 | 0 | 0 | 0 | 110.8 | E52 D53 W54 | S50-E52 PolarHBondContact O-N 2.8Å; S50-D53 PolarHBondContact O-N 2.7Å; S50-D53 WeakPolarHBondContact OG-CB 3.49Å; S50-D53 PolarHBondContact OG-N 2.73Å; S50-D53 PolarHBondContact OG-OD2 3.2Å; S50-W54 WeakPolarHBondContact O-CB 3Å; S50-W54 PolarHBondContact O-N 2.81Å; S50-W54 VanDerWaalsContact O-N 3.09Å |
| 51 | D | 90.2 | Very high | 91.4 | Very high | 117 Ų | 117 | 74 Ų | 74 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.3 | 178.9 | -80.2 | -26 | 0 | 0 | 0 | 112.5 | R81 | D51-R81 VanDerWaalsContact CG-NH1 3.33Å; D51-R81 WeakPolarHBondContact OD1-CD 3.49Å; D51-R81 IonicContact OD1-CZ 3.53Å; D51-R81 IonicContact OD1-NE 3.02Å; D51-R81 IonicContact OD1-NH1 2.72Å; D51-R81 PolarHBondContact OD1-NH1 2.63Å |
| 52 | E | 90.9 | Very high | 92.1 | Very high | 135 Ų | 135 | 70.3 Ų | 70.3 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -43.4 | 177.7 | -70.9 | -179.2 | -159.4 | 0 | 0 | 111.8 | S50 W54 W135 R143 | S50-E52 PolarHBondContact O-N 2.8Å; E52-W54 VanDerWaalsContact C-N 3.33Å; E52-W135 PolarHBondContact O-NE1 2.68Å; E52-R143 VanDerWaalsContact O-CZ 3.23Å; E52-R143 PolarHBondContact O-NH2 3.26Å |
| 53 | D | 93.3 | Very high | 92.6 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -23.3 | -177.8 | -59.9 | -38.9 | 0 | 0 | 0 | 112.1 | I49 S50 Y55 W135 | I49-D53 HydrophobicContact CG2-CB 3.89Å; S50-D53 PolarHBondContact O-N 2.7Å; S50-D53 WeakPolarHBondContact OG-CB 3.49Å; S50-D53 PolarHBondContact OG-N 2.73Å; S50-D53 PolarHBondContact OG-OD2 3.2Å; D53-Y55 PolarHBondContact O-N 2.97Å; D53-W135 PolarHBondContact O-NE1 3.18Å |
| 54 | W | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -62 | 115.2 | -178.3 | -170.2 | -76.4 | 0 | 0 | 0 | 113 | I49 S50 E52 L56 V79 R81 N84 V86 H117 W135 | I49-W54 HydrophobicContact CB-CE3 3.88Å; I49-W54 HydrophobicContact CB-CZ3 4.27Å; I49-W54 HydrophobicContact CD1-CE3 4.18Å; I49-W54 HydrophobicContact CD1-CZ3 3.97Å; I49-W54 HydrophobicContact CG2-CE3 4.27Å; S50-W54 WeakPolarHBondContact O-CB 3Å; S50-W54 PolarHBondContact O-N 2.81Å; S50-W54 VanDerWaalsContact O-N 3.09Å; E52-W54 VanDerWaalsContact C-N 3.33Å; W54-L56 VanDerWaalsContact CD1-O 3.25Å; W54-L56 HydrophobicContact CZ2-CB 4.41Å; W54-L56 PolarHBondContact NE1-O 2.84Å; W54-V79 HydrophobicContact CH2-CG1 4.22Å; W54-V79 HydrophobicContact CZ2-CG1 3.3Å; W54-R81 VanDerWaalsContact CD1-NH2 3.31Å; W54-R81 HydrophobicContact CD2-CG 3.89Å; W54-R81 HydrophobicContact CE3-CB 4.4Å; W54-R81 HydrophobicContact CE3-CG 4.02Å; W54-R81 HydrophobicContact CG-CG 4.41Å; W54-R81 HydrophobicContact CZ2-CG 4.38Å; W54-R81 HydrophobicContact CZ3-CB 4.48Å; W54-R81 HydrophobicContact CZ3-CG 4.34Å; W54-N84 HydrophobicContact CZ3-CB 4.25Å; W54-V86 HydrophobicContact CH2-CG2 4.35Å; W54-V86 HydrophobicContact CZ2-CG2 4.03Å; W54-H117 HydrophobicContact CH2-CB 4.09Å; W54-H117 AromaticContact CH2-CD2 3.65Å; W54-H117 AromaticContact CZ2-CD2 3.79Å; W54-H117 HydrophobicContact CZ3-CB 4.43Å; W54-H117 AromaticContact CZ3-CD2 3.9Å; W54-W135 WeakPolarHBondContact O-CZ2 3.32Å | ||
| 55 | Y | 95.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | trans | -111.2 | -2.1 | -175.4 | 63.4 | -101.5 | 0 | 0 | 0 | 116 | D53 H117 L122 I133 R145 | D53-Y55 PolarHBondContact O-N 2.97Å; Y55-H117 AromaticContact CD1-NE2 4Å; Y55-H117 AromaticContact CE1-CE1 3.33Å; Y55-H117 WeakPolarHBondContact CE1-CE1 3.44Å; Y55-H117 AromaticContact CE1-NE2 3.59Å; Y55-H117 AromaticContact CZ-CE1 3.33Å; Y55-H117 AromaticContact CZ-NE2 3.59Å; Y55-H117 PolarHBondContact OH-CE1 3.42Å; Y55-H117 VanDerWaalsContact OH-CE1 3.24Å; Y55-L122 HydrophobicContact CD2-CD1 4.01Å; Y55-L122 HydrophobicContact CD2-CG 4.37Å; Y55-I133 HydrophobicContact CD2-CB 4.24Å; Y55-I133 HydrophobicContact CD2-CG1 4.05Å; Y55-I133 HydrophobicContact CD2-CG2 4.48Å; Y55-I133 HydrophobicContact CE2-CG1 4.19Å; Y55-I133 HydrophobicContact CG-CB 4.25Å; Y55-I133 HydrophobicContact CG-CG2 4.23Å; Y55-R145 VanDerWaalsContact O-CD 3.3Å; Y55-R145 WeakPolarHBondContact O-CD 3.3Å; Y55-R145 PolarHBondContact O-NH1 3.02Å | ||
| 56 | L | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | trans | -97.2 | 126.9 | 179.6 | -67.6 | 176.9 | 0 | 0 | 0 | 112.5 | W54 V62 V86 L122 | W54-L56 VanDerWaalsContact CD1-O 3.25Å; W54-L56 HydrophobicContact CZ2-CB 4.41Å; W54-L56 PolarHBondContact NE1-O 2.84Å; L56-V62 HydrophobicContact CD2-CG1 3.79Å; L56-V86 HydrophobicContact CD1-CG2 3.83Å; L56-L122 HydrophobicContact CD2-CD1 4.43Å; L56-L122 HydrophobicContact CD2-CD2 3.71Å; L56-L122 HydrophobicContact CD2-CG 3.69Å | ||
| 57 | F | 95.1 | Very high | 94.9 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | trans | -123.6 | 156.5 | -179.3 | -62.6 | -82.4 | 0 | 0 | 0 | 110.8 | G59 D60 V76 W135 K156 P157 F159 | F57-G59 PolarHBondContact O-N 2.84Å; F57-D60 WeakPolarHBondContact CA-OD2 3.47Å; F57-D60 PolarHBondContact N-OD2 2.61Å; F57-D60 WeakPolarHBondContact O-CB 3.34Å; F57-D60 PolarHBondContact O-N 2.72Å; F57-V76 WeakPolarHBondContact O-CB 3.47Å; F57-W135 HydrophobicContact CE2-CH2 4.21Å; F57-W135 HydrophobicContact CE2-CZ2 4.43Å; F57-W135 HydrophobicContact CZ-CH2 4.48Å; F57-K156 HydrophobicContact CD2-CG 4.3Å; F57-K156 HydrophobicContact CE2-CD 4.39Å; F57-K156 HydrophobicContact CE2-CG 4.19Å; F57-K156 HydrophobicContact CZ-CD 4.48Å; F57-P157 HydrophobicContact CB-CG 3.66Å; F57-F159 HydrophobicContact CB-CE2 4.13Å; F57-F159 HydrophobicContact CB-CZ 3.92Å; F57-F159 HydrophobicContact CD1-CE2 4.23Å; F57-F159 HydrophobicContact CD1-CZ 4.26Å | ||
| 58 | C | 94.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 136.8 | 175.5 | -51.7 | 0 | 0 | 0 | 0 | 108.9 | V76 P157 F159 | C58-V76 CarbonylContact C-O 3.5Å; C58-V76 WeakPolarHBondContact CA-O 3.3Å; C58-P157 WeakPolarHBondContact O-CB 3.35Å; C58-P157 WeakPolarHBondContact O-CG 3.48Å; C58-F159 HydrophobicContact CB-CE1 3.62Å; C58-F159 HydrophobicContact CB-CZ 4.19Å |
| 59 | G | 94.2 | Very high | 95.3 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -16 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F57 V76 | F57-G59 PolarHBondContact O-N 2.84Å; G59-V76 PolarHBondContact N-O 3.12Å |
| 60 | D | 96.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | trans | -64.4 | 144.9 | 175 | -78.8 | -36.9 | 0 | 0 | 0 | 111.9 | F57 V62 K75 V76 L122 R145 P157 | F57-D60 WeakPolarHBondContact CA-OD2 3.47Å; F57-D60 PolarHBondContact N-OD2 2.61Å; F57-D60 WeakPolarHBondContact O-CB 3.34Å; F57-D60 PolarHBondContact O-N 2.72Å; D60-V62 HydrophobicContact CB-CG1 4.43Å; D60-K75 CarbonylContact O-C 3.6Å; D60-K75 VanDerWaalsContact O-CA 3.31Å; D60-K75 WeakPolarHBondContact O-CA 3.31Å; D60-V76 HydrophobicContact CB-CG2 4.29Å; D60-V76 PolarHBondContact O-N 3.49Å; D60-L122 HydrophobicContact CB-CD2 3.57Å; D60-R145 VanDerWaalsContact CG-NH1 3.31Å; D60-R145 IonicContact OD1-CZ 2.64Å; D60-R145 IonicContact OD1-NH1 3.26Å; D60-R145 PolarHBondContact OD1-NH1 3.37Å; D60-R145 IonicContact OD1-NH2 2.8Å; D60-R145 PolarHBondContact OD1-NH2 2.95Å; D60-R145 IonicContact OD2-CZ 3.96Å; D60-R145 IonicContact OD2-NH1 2.68Å; D60-R145 PolarHBondContact OD2-NH1 2.9Å; D60-R145 IonicContact OD2-NH2 3.62Å; D60-P157 VanDerWaalsContact OD1-CD 3.28Å; D60-P157 WeakPolarHBondContact OD1-CD 3.16Å | ||
| 61 | T | 96.6 | Very high | 95.6 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124.9 | 168.8 | -54.7 | 0 | 0 | 0 | 0 | 109.4 | V123 | T61-V123 HydrophobicContact CG2-CB 4.25Å; T61-V123 HydrophobicContact CG2-CG2 4.18Å; T61-V123 PolarHBondContact O-N 3.47Å; T61-V123 VanDerWaalsContact O-N 3.12Å |
| 62 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 155.2 | -175.6 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | L56 D60 Q73 G74 V76 V88 V120 K121 L122 | L56-V62 HydrophobicContact CD2-CG1 3.79Å; D60-V62 HydrophobicContact CB-CG1 4.43Å; V62-Q73 CarbonylContact O-C 3.58Å; V62-Q73 WeakPolarHBondContact O-CA 3.33Å; V62-G74 WeakPolarHBondContact CG2-O 3.24Å; V62-G74 PolarHBondContact N-O 3.27Å; V62-G74 PolarHBondContact O-N 3.17Å; V62-V76 HydrophobicContact CB-CG2 4.33Å; V62-V76 HydrophobicContact CG1-CG2 3.65Å; V62-V76 HydrophobicContact CG2-CG2 3.67Å; V62-V88 HydrophobicContact CG2-CG1 4.06Å; V62-V88 HydrophobicContact CG2-CG2 3.72Å; V62-V120 HydrophobicContact CB-CG1 3.31Å; V62-V120 HydrophobicContact CG1-CG1 3.73Å; V62-V120 HydrophobicContact CG2-CG1 3.47Å; V62-V120 VanDerWaalsContact CG2-CG1 3.47Å; V62-K121 CarbonylContact C-O 3.53Å; V62-K121 WeakPolarHBondContact CA-O 3.43Å; V62-K121 VanDerWaalsContact CB-O 3.28Å; V62-K121 WeakPolarHBondContact CB-O 3.36Å; V62-L122 HydrophobicContact CG1-CD2 3.86Å |
| 63 | E | 98.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.3 | 170.8 | -166.8 | 172 | 120.2 | 0 | 0 | 110.4 | Q73 V120 K121 V123 P130 | E63-Q73 HydrophobicContact CB-CG 3.93Å; E63-Q73 HydrophobicContact CG-CG 3.9Å; E63-Q73 PolarHBondContact OE2-NE2 2.66Å; E63-V120 WeakPolarHBondContact O-CA 3.34Å; E63-K121 PolarHBondContact N-O 3.28Å; E63-K121 PolarHBondContact O-N 3.12Å; E63-V123 HydrophobicContact CB-CG2 4.01Å; E63-P130 HydrophobicContact CB-CB 4.17Å; E63-P130 WeakPolarHBondContact OE1-CG 3.37Å; E63-P130 WeakPolarHBondContact OE2-CD 3.08Å |
| 64 | I | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 128.1 | 175.8 | -59.7 | 174.3 | 0 | 0 | 0 | 109 | E66 D69 A70 G71 K72 L91 L115 | I64-E66 WeakPolarHBondContact CG2-O 3.38Å; I64-D69 HydrophobicContact CD1-CB 3.9Å; I64-A70 CarbonylContact O-C 3.52Å; I64-A70 WeakPolarHBondContact O-CA 3.24Å; I64-G71 PolarHBondContact O-N 3.43Å; I64-K72 PolarHBondContact N-O 2.9Å; I64-L91 HydrophobicContact CD1-CB 3.71Å; I64-L91 HydrophobicContact CD1-CD1 3.7Å; I64-L91 HydrophobicContact CD1-CG 4.3Å; I64-L91 HydrophobicContact CG1-CD1 4.43Å; I64-L115 HydrophobicContact CD1-CD1 3.58Å; I64-L115 HydrophobicContact CG1-CD1 3.72Å; I64-L115 HydrophobicContact CG2-CD1 4.26Å |
| 65 | L | 97.9 | Very high | 96.5 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | trans | -88.6 | -34.9 | -178.5 | -58.6 | -178.6 | 0 | 0 | 0 | 113.3 | Q119 K121 P130 | L65-Q119 PolarHBondContact N-O 2.78Å; L65-K121 HydrophobicContact CD1-CD 3.84Å; L65-K121 HydrophobicContact CD1-CG 3.89Å; L65-K121 HydrophobicContact CD2-CB 4.46Å; L65-K121 HydrophobicContact CD2-CD 4.17Å; L65-K121 HydrophobicContact CD2-CG 4.42Å; L65-K121 HydrophobicContact CG-CD 4.49Å; L65-K121 HydrophobicContact CG-CG 4.4Å; L65-P130 HydrophobicContact CD2-CB 4.29Å | ||
| 66 | E | 96.5 | Very high | 96.6 | Very high | 95 Ų | 95 | 49.4 Ų | 49.4 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -137 | 157.6 | -174.5 | 65.7 | 176.2 | -157.2 | 0 | 0 | 113.1 | I64 Q119 | I64-E66 WeakPolarHBondContact CG2-O 3.38Å; E66-Q119 HydrophobicContact CG-CB 3.94Å; E66-Q119 HydrophobicContact CG-CG 3.7Å; E66-Q119 VanDerWaalsContact OE1-CD 3.32Å; E66-Q119 WeakPolarHBondContact OE1-CG 3.33Å; E66-Q119 PolarHBondContact OE1-NE2 2.84Å |
| 67 | G | 95.5 | Very high | 96.5 | Very high | 62 Ų | 62 | 53.4 Ų | 53.4 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 97.2 | -164.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D69 A70 | G67-D69 VanDerWaalsContact C-N 3.26Å; G67-D69 PolarHBondContact O-N 3.2Å; G67-A70 WeakPolarHBondContact O-CB 3.46Å; G67-A70 PolarHBondContact O-N 3.01Å |
| 68 | K | 94.5 | Very high | 96.5 | Very high | 153 Ų | 153 | 55 Ų | 55 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -34.4 | -172.7 | 178.4 | -176.8 | 171.4 | -170.7 | 0 | 113.5 | ||
| 69 | D | 97.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.053 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 25.7 | -174.6 | -68.7 | -47.6 | 0 | 0 | 0 | 112.3 | I64 G67 K72 L91 N92 | I64-D69 HydrophobicContact CD1-CB 3.9Å; G67-D69 VanDerWaalsContact C-N 3.26Å; G67-D69 PolarHBondContact O-N 3.2Å; D69-K72 HydrophobicContact CB-CD 4.04Å; D69-K72 WeakPolarHBondContact O-CB 3.36Å; D69-K72 PolarHBondContact O-N 3.26Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K72 IonicContact OD1-NZ 2.72Å; D69-K72 PolarHBondContact OD1-NZ 3.49Å; D69-L91 HydrophobicContact CB-CB 4.49Å; D69-L91 HydrophobicContact CB-CD2 4.3Å; D69-N92 WeakPolarHBondContact OD2-CA 3.21Å; D69-N92 PolarHBondContact OD2-N 2.82Å |
| 70 | A | 97.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 138.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I64 G67 K72 | I64-A70 CarbonylContact O-C 3.52Å; I64-A70 WeakPolarHBondContact O-CA 3.24Å; G67-A70 WeakPolarHBondContact O-CB 3.46Å; G67-A70 PolarHBondContact O-N 3.01Å; A70-K72 PolarHBondContact O-N 2.97Å |
| 71 | G | 97.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -6.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I64 | I64-G71 PolarHBondContact O-N 3.43Š|
| 72 | K | 97.8 | Very high | 96.2 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | trans | -84.1 | 143.9 | 174.6 | -61.2 | -177.7 | -172.8 | 167.2 | 0 | 110.6 | I64 D69 A70 L91 | I64-K72 PolarHBondContact N-O 2.9Å; D69-K72 HydrophobicContact CB-CD 4.04Å; D69-K72 WeakPolarHBondContact O-CB 3.36Å; D69-K72 PolarHBondContact O-N 3.26Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K72 IonicContact OD1-NZ 2.72Å; D69-K72 PolarHBondContact OD1-NZ 3.49Å; A70-K72 PolarHBondContact O-N 2.97Å; K72-L91 HydrophobicContact CB-CD1 4.04Å; K72-L91 HydrophobicContact CB-CD2 4.09Å; K72-L91 HydrophobicContact CD-CD2 3.84Å | ||
| 73 | Q | 97.8 | Very high | 96 | Very high | 84 Ų | 84 | 58.4 Ų | 58.4 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 144 | 175.6 | -63.4 | -178.6 | -1.5 | 0 | 0 | 110.7 | V62 E63 V123 R128 | V62-Q73 CarbonylContact O-C 3.58Å; V62-Q73 WeakPolarHBondContact O-CA 3.33Å; E63-Q73 HydrophobicContact CB-CG 3.93Å; E63-Q73 HydrophobicContact CG-CG 3.9Å; E63-Q73 PolarHBondContact OE2-NE2 2.66Å; Q73-V123 HydrophobicContact CG-CG2 3.97Å; Q73-R128 PolarHBondContact NE2-O 2.78Å |
| 74 | G | 96.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 58 Ų | 58 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 170.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V62 | V62-G74 WeakPolarHBondContact CG2-O 3.24Å; V62-G74 PolarHBondContact N-O 3.27Å; V62-G74 PolarHBondContact O-N 3.17Å |
| 75 | K | 96.6 | Very high | 95.9 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 139.9 | 176.6 | -71.9 | -171.9 | 176.6 | -172.4 | 0 | 111.1 | D60 V77 V88 G89 | D60-K75 CarbonylContact O-C 3.6Å; D60-K75 VanDerWaalsContact O-CA 3.31Å; D60-K75 WeakPolarHBondContact O-CA 3.31Å; K75-V77 PolarHBondContact O-N 3.23Å; K75-V88 WeakPolarHBondContact O-CA 3.31Å; K75-G89 PolarHBondContact O-N 3.12Å |
| 76 | V | 96.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 121.3 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | F57 C58 G59 D60 V62 V79 V86 V87 | F57-V76 WeakPolarHBondContact O-CB 3.47Å; C58-V76 CarbonylContact C-O 3.5Å; C58-V76 WeakPolarHBondContact CA-O 3.3Å; G59-V76 PolarHBondContact N-O 3.12Å; D60-V76 HydrophobicContact CB-CG2 4.29Å; D60-V76 PolarHBondContact O-N 3.49Å; V62-V76 HydrophobicContact CB-CG2 4.33Å; V62-V76 HydrophobicContact CG1-CG2 3.65Å; V62-V76 HydrophobicContact CG2-CG2 3.67Å; V76-V79 HydrophobicContact CG1-CG2 3.66Å; V76-V86 HydrophobicContact CB-CG1 4.3Å; V76-V86 HydrophobicContact CG1-CG1 3.57Å; V76-V86 HydrophobicContact CG2-CG1 3.79Å; V76-V87 WeakPolarHBondContact CA-O 3.14Å |
| 77 | V | 94.7 | Very high | 95.9 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -39.5 | 179.5 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | K75 V87 | K75-V77 PolarHBondContact O-N 3.23Å; V77-V87 PolarHBondContact N-O 2.87Å |
| 78 | Q | 93.7 | Very high | 96 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 143.2 | -176.5 | -168.7 | -178.7 | 11.5 | 0 | 0 | 111.3 | M23 I80 V87 | M23-Q78 PolarHBondContact O-NE2 2.95Å; M23-Q78 PolarHBondContact O-OE1 3.3Å; Q78-I80 HydrophobicContact CG-CG1 4.32Å; Q78-V87 HydrophobicContact CB-CB 4Å; Q78-V87 HydrophobicContact CB-CG2 4.14Å; Q78-V87 PolarHBondContact N-O 3Å; Q78-V87 PolarHBondContact O-N 3.13Å |
| 79 | V | 95.1 | Very high | 96.1 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 21% | 0.212 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.5 | 174.5 | 174 | 0 | 0 | 0 | 0 | 109.8 | W54 V76 R81 | W54-V79 HydrophobicContact CH2-CG1 4.22Å; W54-V79 HydrophobicContact CZ2-CG1 3.3Å; V76-V79 HydrophobicContact CG1-CG2 3.66Å; V79-R81 HydrophobicContact CG1-CG 3.97Å |
| 80 | I | 94.5 | Very high | 96 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 88.3 | 179.4 | -53.3 | 154.2 | 0 | 0 | 0 | 108.1 | M23 Q78 Q82 R83 N84 W85 | M23-I80 HydrophobicContact CB-CD1 4.25Å; M23-I80 HydrophobicContact CG-CD1 3.92Å; Q78-I80 HydrophobicContact CG-CG1 4.32Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.09Å; I80-R83 HydrophobicContact CG2-CB 4.33Å; I80-R83 HydrophobicContact CG2-CG 4.37Å; I80-R83 PolarHBondContact O-N 2.63Å; I80-N84 PolarHBondContact O-N 2.72Å; I80-W85 HydrophobicContact CB-CB 4.08Å; I80-W85 HydrophobicContact CD1-CB 4.33Å; I80-W85 HydrophobicContact CD1-CE3 4.09Å; I80-W85 PolarHBondContact N-O 2.83Å; I80-W85 PolarHBondContact O-N 3.04Å |
| 81 | R | 93.8 | Very high | 96 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -62 | -35.6 | -172.1 | -65.3 | -172.2 | 170.4 | -177.3 | -5.4 | 113.6 | D51 W54 V79 R83 N84 | D51-R81 VanDerWaalsContact CG-NH1 3.33Å; D51-R81 WeakPolarHBondContact OD1-CD 3.49Å; D51-R81 IonicContact OD1-CZ 3.53Å; D51-R81 IonicContact OD1-NE 3.02Å; D51-R81 IonicContact OD1-NH1 2.72Å; D51-R81 PolarHBondContact OD1-NH1 2.63Å; W54-R81 VanDerWaalsContact CD1-NH2 3.31Å; W54-R81 HydrophobicContact CD2-CG 3.89Å; W54-R81 HydrophobicContact CE3-CB 4.4Å; W54-R81 HydrophobicContact CE3-CG 4.02Å; W54-R81 HydrophobicContact CG-CG 4.41Å; W54-R81 HydrophobicContact CZ2-CG 4.38Å; W54-R81 HydrophobicContact CZ3-CB 4.48Å; W54-R81 HydrophobicContact CZ3-CG 4.34Å; V79-R81 HydrophobicContact CG1-CG 3.97Å; R81-R83 PolarHBondContact O-N 3.26Å; R81-N84 PolarHBondContact O-N 3.19Å; R81-N84 PolarHBondContact O-OD1 2.82Å |
| 82 | Q | 91.9 | Very high | 96 | Very high | 86 Ų | 86 | 44.4 Ų | 44.4 | 40% | 0.402 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -64.9 | -13.2 | -178.8 | -58.8 | 85.2 | -1.1 | 0 | 0 | 113.6 | Y21 I80 | Y21-Q82 HydrophobicContact CD1-CB 3.71Å; Y21-Q82 HydrophobicContact CD1-CG 3.8Å; Y21-Q82 HydrophobicContact CD2-CB 3.55Å; Y21-Q82 HydrophobicContact CD2-CG 4.17Å; Y21-Q82 HydrophobicContact CE1-CB 3.91Å; Y21-Q82 HydrophobicContact CE1-CG 3.52Å; Y21-Q82 HydrophobicContact CE2-CB 3.74Å; Y21-Q82 HydrophobicContact CE2-CG 3.9Å; Y21-Q82 HydrophobicContact CG-CB 3.54Å; Y21-Q82 HydrophobicContact CG-CG 4.13Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.09Å |
| 83 | R | 93.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -120 | 2.5 | 176.1 | -65.6 | -63.3 | -173.3 | 152.5 | -16.9 | 113.1 | Y21 V44 I80 R81 W85 | Y21-R83 PolarHBondContact O-NE 3.32Å; V44-R83 VanDerWaalsContact CG2-NH1 3.26Å; V44-R83 VanDerWaalsContact CG2-NH2 3.25Å; I80-R83 HydrophobicContact CG2-CB 4.33Å; I80-R83 HydrophobicContact CG2-CG 4.37Å; I80-R83 PolarHBondContact O-N 2.63Å; R81-R83 PolarHBondContact O-N 3.26Å; R83-W85 HydrophobicContact CB-CB 4.16Å; R83-W85 HydrophobicContact CB-CD2 3.5Å; R83-W85 HydrophobicContact CB-CE3 3.8Å; R83-W85 HydrophobicContact CB-CG 3.68Å; R83-W85 HydrophobicContact CB-CZ2 4.48Å; R83-W85 HydrophobicContact CB-CZ3 4.4Å; R83-W85 HydrophobicContact CG-CD2 4.19Å; R83-W85 HydrophobicContact CG-CE3 4.03Å; R83-W85 HydrophobicContact CG-CH2 4.48Å; R83-W85 HydrophobicContact CG-CZ3 4.19Å; R83-W85 PolarHBondContact O-N 3.24Å |
| 84 | N | 96.6 | Very high | 95.7 | Very high | 24 Ų | 24 | 41 Ų | 41 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 39.3 | -167.9 | -54.7 | -36.8 | 0 | 0 | 0 | 111.7 | E47 P48 I49 W54 I80 R81 L116 H117 | E47-N84 PolarHBondContact O-ND2 3.45Å; P48-N84 WeakPolarHBondContact CA-OD1 3.44Å; I49-N84 HydrophobicContact CD1-CB 4.4Å; I49-N84 PolarHBondContact N-OD1 3.44Å; W54-N84 HydrophobicContact CZ3-CB 4.25Å; I80-N84 PolarHBondContact O-N 2.72Å; R81-N84 PolarHBondContact O-N 3.19Å; R81-N84 PolarHBondContact O-OD1 2.82Å; N84-L116 CarbonylContact O-C 3.47Å; N84-L116 WeakPolarHBondContact O-CA 3.46Å; N84-H117 HydrophobicContact CB-CB 4.22Å; N84-H117 PolarHBondContact O-N 3.18Å |
| 85 | W | 96.9 | Very high | 95.7 | Very high | 62 Ų | 62 | 47.5 Ų | 47.5 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143.5 | -177.2 | -78 | -11.9 | 0 | 0 | 0 | 112.1 | I80 R83 P114 L115 | I80-W85 HydrophobicContact CB-CB 4.08Å; I80-W85 HydrophobicContact CD1-CB 4.33Å; I80-W85 HydrophobicContact CD1-CE3 4.09Å; I80-W85 PolarHBondContact N-O 2.83Å; I80-W85 PolarHBondContact O-N 3.04Å; R83-W85 HydrophobicContact CB-CB 4.16Å; R83-W85 HydrophobicContact CB-CD2 3.5Å; R83-W85 HydrophobicContact CB-CE3 3.8Å; R83-W85 HydrophobicContact CB-CG 3.68Å; R83-W85 HydrophobicContact CB-CZ2 4.48Å; R83-W85 HydrophobicContact CB-CZ3 4.4Å; R83-W85 HydrophobicContact CG-CD2 4.19Å; R83-W85 HydrophobicContact CG-CE3 4.03Å; R83-W85 HydrophobicContact CG-CH2 4.48Å; R83-W85 HydrophobicContact CG-CZ3 4.19Å; R83-W85 PolarHBondContact O-N 3.24Å; W85-P114 HydrophobicContact CB-CB 3.87Å; W85-P114 HydrophobicContact CD2-CB 3.86Å; W85-P114 HydrophobicContact CD2-CG 3.86Å; W85-P114 HydrophobicContact CE3-CB 4.09Å; W85-P114 HydrophobicContact CE3-CG 3.89Å; W85-P114 HydrophobicContact CG-CB 3.77Å; W85-P114 HydrophobicContact CG-CG 4.28Å; W85-P114 HydrophobicContact CZ3-CG 4.27Å; W85-L115 CarbonylContact C-O 3.57Å; W85-L115 VanDerWaalsContact CA-O 3.27Å; W85-L115 WeakPolarHBondContact CA-O 3.28Å |
| 86 | V | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.9 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | W54 L56 V76 V88 L115 | W54-V86 HydrophobicContact CH2-CG2 4.35Å; W54-V86 HydrophobicContact CZ2-CG2 4.03Å; L56-V86 HydrophobicContact CD1-CG2 3.83Å; V76-V86 HydrophobicContact CB-CG1 4.3Å; V76-V86 HydrophobicContact CG1-CG1 3.57Å; V76-V86 HydrophobicContact CG2-CG1 3.79Å; V86-V88 HydrophobicContact CG1-CG2 4.45Å; V86-L115 PolarHBondContact N-O 2.82Å; V86-L115 PolarHBondContact O-N 3.39Å |
| 87 | V | 97.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.6 | 177.3 | -178 | 0 | 0 | 0 | 0 | 107.9 | M23 V76 V77 Q78 E112 P114 | M23-V87 HydrophobicContact SD-CG2 4.23Å; V76-V87 WeakPolarHBondContact CA-O 3.14Å; V77-V87 PolarHBondContact N-O 2.87Å; Q78-V87 HydrophobicContact CB-CB 4Å; Q78-V87 HydrophobicContact CB-CG2 4.14Å; Q78-V87 PolarHBondContact N-O 3Å; Q78-V87 PolarHBondContact O-N 3.13Å; V87-E112 HydrophobicContact CG1-CB 3.71Å; V87-E112 WeakPolarHBondContact CG1-OE2 3.46Å; V87-P114 HydrophobicContact CG2-CB 4.05Å |
| 88 | V | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131 | -177.6 | -173.6 | 0 | 0 | 0 | 0 | 109 | V62 K75 V86 G90 L91 L115 | V62-V88 HydrophobicContact CG2-CG1 4.06Å; V62-V88 HydrophobicContact CG2-CG2 3.72Å; K75-V88 WeakPolarHBondContact O-CA 3.31Å; V86-V88 HydrophobicContact CG1-CG2 4.45Å; V88-G90 PolarHBondContact O-N 2.91Å; V88-L91 HydrophobicContact CB-CB 4.32Å; V88-L91 HydrophobicContact CG1-CB 4.26Å; V88-L91 HydrophobicContact CG1-CD1 3.82Å; V88-L91 HydrophobicContact CG1-CG 4.34Å; V88-L91 PolarHBondContact O-N 2.84Å; V88-L115 HydrophobicContact CG2-CD1 4.21Å |
| 89 | G | 96.5 | Very high | 95.1 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 127 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K75 L91 E112 | K75-G89 PolarHBondContact O-N 3.12Å; G89-L91 PolarHBondContact O-N 2.88Å; G89-L91 VanDerWaalsContact O-N 3.12Å; G89-E112 VanDerWaalsContact CA-OE1 3.31Å; G89-E112 WeakPolarHBondContact CA-OE1 3.42Å |
| 90 | G | 95.7 | Very high | 95 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 3.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V88 E112 | V88-G90 PolarHBondContact O-N 2.91Å; G90-E112 PolarHBondContact N-OE1 3Å |
| 91 | L | 97.2 | Very high | 95 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | trans | -116.5 | 161.7 | -178.1 | -61.1 | -179.3 | 0 | 0 | 0 | 111.3 | I64 D69 K72 V88 G89 T93 | I64-L91 HydrophobicContact CD1-CB 3.71Å; I64-L91 HydrophobicContact CD1-CD1 3.7Å; I64-L91 HydrophobicContact CD1-CG 4.3Å; I64-L91 HydrophobicContact CG1-CD1 4.43Å; D69-L91 HydrophobicContact CB-CB 4.49Å; D69-L91 HydrophobicContact CB-CD2 4.3Å; K72-L91 HydrophobicContact CB-CD1 4.04Å; K72-L91 HydrophobicContact CB-CD2 4.09Å; K72-L91 HydrophobicContact CD-CD2 3.84Å; V88-L91 HydrophobicContact CB-CB 4.32Å; V88-L91 HydrophobicContact CG1-CB 4.26Å; V88-L91 HydrophobicContact CG1-CD1 3.82Å; V88-L91 HydrophobicContact CG1-CG 4.34Å; V88-L91 PolarHBondContact O-N 2.84Å; G89-L91 PolarHBondContact O-N 2.88Å; G89-L91 VanDerWaalsContact O-N 3.12Å; L91-T93 PolarHBondContact O-N 2.64Å | ||
| 92 | N | 96.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 68.4 Ų | 68.4 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 51 | 42.6 | -174.3 | -166.8 | 36.8 | 0 | 0 | 0 | 112.5 | D69 A113 P114 L115 | D69-N92 WeakPolarHBondContact OD2-CA 3.21Å; D69-N92 PolarHBondContact OD2-N 2.82Å; N92-A113 PolarHBondContact ND2-O 2.85Å; N92-A113 VanDerWaalsContact O-CB 3.31Å; N92-A113 WeakPolarHBondContact O-CB 3.24Å; N92-A113 PolarHBondContact O-N 3.48Å; N92-P114 PolarHBondContact ND2-O 2.84Å; N92-L115 HydrophobicContact CB-CD1 4.19Å; N92-L115 HydrophobicContact CB-CD2 4.01Å; N92-L115 HydrophobicContact CB-CG 4.04Å; N92-L115 VanDerWaalsContact ND2-CD2 3.29Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.45Å |
| 93 | T | 96 | Very high | 95.1 | Very high | 32 Ų | 32 | 71.7 Ų | 71.7 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 144 | -172.7 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | L91 S111 E112 | L91-T93 PolarHBondContact O-N 2.64Å; T93-S111 CarbonylContact C-O 3.31Å; T93-S111 VanDerWaalsContact CA-O 3.29Å; T93-S111 WeakPolarHBondContact CA-O 3.26Å; T93-E112 HydrophobicContact CG2-CG 4.12Å |
| 94 | H | 95.1 | Very high | 95.1 | Very high | 86 Ų | 86 | 76.2 Ų | 76.2 | 40% | 0.398 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.3 | 166.1 | 63.5 | -74.2 | 0 | 0 | 0 | 109.7 | S111 | H94-S111 PolarHBondContact CE1-O 2.81Å; H94-S111 PolarHBondContact N-O 2.96Å; H94-S111 PolarHBondContact ND1-O 3Å; H94-S111 PolarHBondContact O-N 3.34Å |
| 95 | Y | 95.3 | Very high | 94.8 | Very high | 149 Ų | 149 | 85.5 Ų | 85.5 | 58% | 0.584 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 134.4 | 177.1 | -68.5 | -77.1 | 0 | 0 | 0 | 110.8 | M108 P110 | Y95-M108 HydrophobicContact CD1-CE 4.19Å; Y95-M108 HydrophobicContact CD1-CG 3.94Å; Y95-M108 HydrophobicContact CD1-SD 4.29Å; Y95-M108 HydrophobicContact CE1-CE 4.44Å; Y95-M108 HydrophobicContact CG-CG 4.22Å; Y95-M108 HydrophobicContact CG-SD 4.24Å; Y95-P110 HydrophobicContact CD1-CB 4.25Å; Y95-P110 HydrophobicContact CE1-CB 4Å |
| 96 | R | 92.6 | Very high | 94.7 | Very high | 120 Ų | 120 | 83 Ų | 83 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.1 | 171.6 | 59 | 176.6 | -80.1 | 139.8 | -3.9 | 110.5 | I98 I109 S111 | R96-I98 HydrophobicContact CG-CD1 4.38Å; R96-I98 HydrophobicContact CG-CG1 4.24Å; R96-I109 PolarHBondContact N-O 2.76Å; R96-I109 PolarHBondContact O-N 2.82Å; R96-S111 VanDerWaalsContact CD-CB 3.5Å |
| 97 | Y | 94.2 | Very high | 94.6 | Very high | 146 Ų | 146 | 86.3 Ų | 86.3 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 131.7 | 171.2 | -70.3 | -89.8 | 0 | 0 | 0 | 110 | T107 M108 | Y97-T107 WeakPolarHBondContact CA-O 3.44Å; Y97-M108 HydrophobicContact CD1-CB 4.14Å; Y97-M108 HydrophobicContact CE1-CB 3.75Å; Y97-M108 HydrophobicContact CE1-CG 4.32Å; Y97-M108 HydrophobicContact CE2-CG 4.47Å |
| 98 | I | 92.7 | Very high | 94.5 | Very high | 74 Ų | 74 | 90.8 Ų | 90.8 | 38% | 0.379 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.1 | 177.3 | -57.4 | -173.2 | 0 | 0 | 0 | 109.1 | R96 G106 T107 I109 | R96-I98 HydrophobicContact CG-CD1 4.38Å; R96-I98 HydrophobicContact CG-CG1 4.24Å; I98-G106 CarbonylContact O-C 3.57Å; I98-G106 VanDerWaalsContact O-CA 3.28Å; I98-G106 WeakPolarHBondContact O-CA 3.18Å; I98-T107 PolarHBondContact N-O 3.17Å; I98-T107 PolarHBondContact O-N 2.93Å; I98-I109 HydrophobicContact CB-CD1 4.23Å; I98-I109 HydrophobicContact CD1-CB 4.39Å; I98-I109 HydrophobicContact CD1-CD1 4.03Å; I98-I109 HydrophobicContact CG1-CD1 4.35Å |
| 99 | G | 91.1 | Very high | 94.4 | Very high | 49 Ų | 49 | 94 Ų | 94 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 74.4 | 25.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T101 Y104 | G99-T101 PolarHBondContact O-N 3.38Å; G99-Y104 WeakPolarHBondContact O-CD1 3.37Å |
| 100 | K | 92.7 | Very high | 94.4 | Very high | 166 Ų | 166 | 96.3 Ų | 96.3 | 72% | 0.722 | 48% | 0.481 | S | S | * | . | trans | -63.8 | 127.6 | 176.4 | -175.2 | -179.8 | 178.7 | -176.8 | 0 | 110.6 | Y104 | K100-Y104 WeakPolarHBondContact CA-O 3.38Š| ||
| 101 | T | 93.7 | Very high | 94.3 | Very high | 92 Ų | 92 | 95.3 Ų | 95.3 | 56% | 0.564 | 47% | 0.466 | S | S | * | . | trans | -125.7 | 177.1 | 174.2 | -52.5 | 0 | 0 | 0 | 0 | 108.7 | G99 D103 Y104 | G99-T101 PolarHBondContact O-N 3.38Å; T101-D103 VanDerWaalsContact C-N 3.29Å; T101-D103 PolarHBondContact O-N 3.48Å; T101-Y104 PolarHBondContact N-O 3.18Å; T101-Y104 PolarHBondContact O-N 3.3Å | ||
| 102 | M | 92.7 | Very high | 94.2 | Very high | 183 Ų | 183 | 97.2 Ų | 97.2 | 90% | 0.901 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -56.7 | -43.8 | 177.1 | -171 | 164.5 | 179.2 | 0 | 0 | 111.8 | ||
| 103 | D | 95.1 | Very high | 94.2 | Very high | 156 Ų | 156 | 96.2 Ų | 96.2 | 83% | 0.834 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -93.2 | -13.1 | -176.8 | -51.3 | -48.5 | 0 | 0 | 0 | 114.1 | T101 | T101-D103 VanDerWaalsContact C-N 3.29Å; T101-D103 PolarHBondContact O-N 3.48Å |
| 104 | Y | 94.3 | Very high | 94.2 | Very high | 116 Ų | 116 | 96.3 Ų | 96.3 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | trans | -123.1 | 122.4 | -176 | -178.8 | -123.8 | 0 | 0 | 0 | 111.8 | G99 K100 T101 G106 T107 | G99-Y104 WeakPolarHBondContact O-CD1 3.37Å; K100-Y104 WeakPolarHBondContact CA-O 3.38Å; T101-Y104 PolarHBondContact N-O 3.18Å; T101-Y104 PolarHBondContact O-N 3.3Å; Y104-G106 VanDerWaalsContact CZ-C 3.47Å; Y104-G106 PolarHBondContact O-N 2.73Å; Y104-G106 VanDerWaalsContact O-N 3.12Å; Y104-T107 PolarHBondContact OH-N 2.88Å; Y104-T107 PolarHBondContact OH-OG1 3.09Å | ||
| 105 | R | 89.5 | Confident | 94.3 | Very high | 220 Ų | 220 | 92.6 Ų | 92.6 | 83% | 0.83 | 46% | 0.456 | S | S | * | . | trans | -64.5 | -16.7 | -179.2 | -68.3 | -172.6 | 179.9 | -168.2 | 1.2 | 113.7 | ||||
| 106 | G | 94.7 | Very high | 94.4 | Very high | 10 Ų | 10 | 88.2 Ų | 88.2 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | trans | 95.6 | 161.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I98 Y104 | I98-G106 CarbonylContact O-C 3.57Å; I98-G106 VanDerWaalsContact O-CA 3.28Å; I98-G106 WeakPolarHBondContact O-CA 3.18Å; Y104-G106 VanDerWaalsContact CZ-C 3.47Å; Y104-G106 PolarHBondContact O-N 2.73Å; Y104-G106 VanDerWaalsContact O-N 3.12Å | ||
| 107 | T | 96.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 83.4 Ų | 83.4 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.4 | 173.7 | -43.2 | 0 | 0 | 0 | 0 | 109.6 | Y97 I98 Y104 I109 | Y97-T107 WeakPolarHBondContact CA-O 3.44Å; I98-T107 PolarHBondContact N-O 3.17Å; I98-T107 PolarHBondContact O-N 2.93Å; Y104-T107 PolarHBondContact OH-N 2.88Å; Y104-T107 PolarHBondContact OH-OG1 3.09Å; T107-I109 HydrophobicContact CG2-CD1 4.27Å; T107-I109 HydrophobicContact CG2-CG1 3.96Å; T107-I109 PolarHBondContact O-N 3.12Å |
| 108 | M | 95.4 | Very high | 94.7 | Very high | 98 Ų | 98 | 85.4 Ų | 85.4 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 115.7 | 172.8 | -170.1 | 173.8 | 72.9 | 0 | 0 | 109.5 | Y95 Y97 | Y95-M108 HydrophobicContact CD1-CE 4.19Å; Y95-M108 HydrophobicContact CD1-CG 3.94Å; Y95-M108 HydrophobicContact CD1-SD 4.29Å; Y95-M108 HydrophobicContact CE1-CE 4.44Å; Y95-M108 HydrophobicContact CG-CG 4.22Å; Y95-M108 HydrophobicContact CG-SD 4.24Å; Y97-M108 HydrophobicContact CD1-CB 4.14Å; Y97-M108 HydrophobicContact CE1-CB 3.75Å; Y97-M108 HydrophobicContact CE1-CG 4.32Å; Y97-M108 HydrophobicContact CE2-CG 4.47Å |
| 109 | I | 95.4 | Very high | 95 | Very high | 68 Ų | 68 | 83.4 Ų | 83.4 | 35% | 0.349 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.1 | -175.5 | -63.3 | 173.7 | 0 | 0 | 0 | 109.1 | R96 I98 T107 S111 | R96-I109 PolarHBondContact N-O 2.76Å; R96-I109 PolarHBondContact O-N 2.82Å; I98-I109 HydrophobicContact CB-CD1 4.23Å; I98-I109 HydrophobicContact CD1-CB 4.39Å; I98-I109 HydrophobicContact CD1-CD1 4.03Å; I98-I109 HydrophobicContact CG1-CD1 4.35Å; T107-I109 HydrophobicContact CG2-CD1 4.27Å; T107-I109 HydrophobicContact CG2-CG1 3.96Å; T107-I109 PolarHBondContact O-N 3.12Å; I109-S111 PolarHBondContact O-N 3.16Å |
| 110 | P | 95.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 81.1 Ų | 81.1 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 127.6 | 170.6 | 28.9 | -33.3 | 0 | 0 | 0 | 109.8 | Y95 | Y95-P110 HydrophobicContact CD1-CB 4.25Å; Y95-P110 HydrophobicContact CE1-CB 4Å |
| 111 | S | 94.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 75.5 Ų | 75.5 | 22% | 0.217 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.9 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | T93 H94 R96 I109 | T93-S111 CarbonylContact C-O 3.31Å; T93-S111 VanDerWaalsContact CA-O 3.29Å; T93-S111 WeakPolarHBondContact CA-O 3.26Å; H94-S111 PolarHBondContact CE1-O 2.81Å; H94-S111 PolarHBondContact N-O 2.96Å; H94-S111 PolarHBondContact ND1-O 3Å; H94-S111 PolarHBondContact O-N 3.34Å; R96-S111 VanDerWaalsContact CD-CB 3.5Å; I109-S111 PolarHBondContact O-N 3.16Å |
| 112 | E | 95.4 | Very high | 95.7 | Very high | 60 Ų | 60 | 71.1 Ų | 71.1 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 143 | 173.8 | -63.4 | 161.9 | -167.8 | 0 | 0 | 110.1 | V87 G89 G90 T93 | V87-E112 HydrophobicContact CG1-CB 3.71Å; V87-E112 WeakPolarHBondContact CG1-OE2 3.46Å; G89-E112 VanDerWaalsContact CA-OE1 3.31Å; G89-E112 WeakPolarHBondContact CA-OE1 3.42Å; G90-E112 PolarHBondContact N-OE1 3Å; T93-E112 HydrophobicContact CG2-CG 4.12Å |
| 113 | A | 96.1 | Very high | 95.9 | Very high | 21 Ų | 21 | 63.2 Ų | 63.2 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | trans | -116.3 | 149.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | N92 | N92-A113 PolarHBondContact ND2-O 2.85Å; N92-A113 VanDerWaalsContact O-CB 3.31Å; N92-A113 WeakPolarHBondContact O-CB 3.24Å; N92-A113 PolarHBondContact O-N 3.48Å | ||
| 114 | P | 96.8 | Very high | 96 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 22% | 0.221 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 144.6 | -177.8 | 30.4 | -31.8 | 0 | 0 | 0 | 110.8 | M23 W85 V87 N92 | M23-P114 HydrophobicContact CG-CG 4.46Å; M23-P114 HydrophobicContact SD-CG 4.19Å; W85-P114 HydrophobicContact CB-CB 3.87Å; W85-P114 HydrophobicContact CD2-CB 3.86Å; W85-P114 HydrophobicContact CD2-CG 3.86Å; W85-P114 HydrophobicContact CE3-CB 4.09Å; W85-P114 HydrophobicContact CE3-CG 3.89Å; W85-P114 HydrophobicContact CG-CB 3.77Å; W85-P114 HydrophobicContact CG-CG 4.28Å; W85-P114 HydrophobicContact CZ3-CG 4.27Å; V87-P114 HydrophobicContact CG2-CB 4.05Å; N92-P114 PolarHBondContact ND2-O 2.84Å |
| 115 | L | 97.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 156.8 | 167.6 | -66.5 | 166.6 | 0 | 0 | 0 | 109.2 | I64 W85 V86 V88 N92 V120 | I64-L115 HydrophobicContact CD1-CD1 3.58Å; I64-L115 HydrophobicContact CG1-CD1 3.72Å; I64-L115 HydrophobicContact CG2-CD1 4.26Å; W85-L115 CarbonylContact C-O 3.57Å; W85-L115 VanDerWaalsContact CA-O 3.27Å; W85-L115 WeakPolarHBondContact CA-O 3.28Å; V86-L115 PolarHBondContact N-O 2.82Å; V86-L115 PolarHBondContact O-N 3.39Å; V88-L115 HydrophobicContact CG2-CD1 4.21Å; N92-L115 HydrophobicContact CB-CD1 4.19Å; N92-L115 HydrophobicContact CB-CD2 4.01Å; N92-L115 HydrophobicContact CB-CG 4.04Å; N92-L115 VanDerWaalsContact ND2-CD2 3.29Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.45Å; L115-V120 HydrophobicContact CB-CG2 3.93Å; L115-V120 HydrophobicContact CD1-CG2 3.79Å; L115-V120 HydrophobicContact CG-CG2 4.5Å |
| 116 | L | 97.1 | Very high | 96.1 | Very high | 56 Ų | 56 | 48.1 Ų | 48.1 | 29% | 0.293 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 147.8 | 170.8 | -68.2 | 164.2 | 0 | 0 | 0 | 110 | N84 R118 Q119 | N84-L116 CarbonylContact O-C 3.47Å; N84-L116 WeakPolarHBondContact O-CA 3.46Å; L116-R118 HydrophobicContact CB-CG 4.16Å; L116-R118 PolarHBondContact O-N 2.8Å; L116-R118 VanDerWaalsContact O-N 3.12Å; L116-Q119 HydrophobicContact CB-CG 3.96Å; L116-Q119 WeakPolarHBondContact O-CB 3.43Å; L116-Q119 PolarHBondContact O-N 2.99Å |
| 117 | H | 96.7 | Very high | 96.1 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -48.6 | -41.5 | 177.1 | 177.1 | -81.1 | 0 | 0 | 0 | 112.9 | I49 W54 Y55 N84 Q119 V120 | I49-H117 HydrophobicContact CD1-CB 4.1Å; W54-H117 HydrophobicContact CH2-CB 4.09Å; W54-H117 AromaticContact CH2-CD2 3.65Å; W54-H117 AromaticContact CZ2-CD2 3.79Å; W54-H117 HydrophobicContact CZ3-CB 4.43Å; W54-H117 AromaticContact CZ3-CD2 3.9Å; Y55-H117 AromaticContact CD1-NE2 4Å; Y55-H117 AromaticContact CE1-CE1 3.33Å; Y55-H117 WeakPolarHBondContact CE1-CE1 3.44Å; Y55-H117 AromaticContact CE1-NE2 3.59Å; Y55-H117 AromaticContact CZ-CE1 3.33Å; Y55-H117 AromaticContact CZ-NE2 3.59Å; Y55-H117 PolarHBondContact OH-CE1 3.42Å; Y55-H117 VanDerWaalsContact OH-CE1 3.24Å; N84-H117 HydrophobicContact CB-CB 4.22Å; N84-H117 PolarHBondContact O-N 3.18Å; H117-Q119 PolarHBondContact O-N 3.25Å; H117-V120 PolarHBondContact O-N 3.28Å; H117-V120 VanDerWaalsContact O-O 3.08Å |
| 118 | R | 96.2 | Very high | 96 | Very high | 189 Ų | 189 | 55.9 Ų | 55.9 | 71% | 0.713 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -67.6 | -18 | 179.4 | 70.5 | -177.8 | -174.3 | -177.9 | 2.2 | 115.1 | L116 V120 | L116-R118 HydrophobicContact CB-CG 4.16Å; L116-R118 PolarHBondContact O-N 2.8Å; L116-R118 VanDerWaalsContact O-N 3.12Å; R118-V120 VanDerWaalsContact C-N 3.25Å |
| 119 | Q | 97.4 | Very high | 96 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -87.4 | -1.1 | -175.9 | -60 | -180 | -43.6 | 0 | 0 | 112.2 | L65 E66 L116 H117 | L65-Q119 PolarHBondContact N-O 2.78Å; E66-Q119 HydrophobicContact CG-CB 3.94Å; E66-Q119 HydrophobicContact CG-CG 3.7Å; E66-Q119 VanDerWaalsContact OE1-CD 3.32Å; E66-Q119 WeakPolarHBondContact OE1-CG 3.33Å; E66-Q119 PolarHBondContact OE1-NE2 2.84Å; L116-Q119 HydrophobicContact CB-CG 3.96Å; L116-Q119 WeakPolarHBondContact O-CB 3.43Å; L116-Q119 PolarHBondContact O-N 2.99Å; H117-Q119 PolarHBondContact O-N 3.25Å |
| 120 | V | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.4 | -167.7 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | V62 E63 L115 H117 R118 | V62-V120 HydrophobicContact CB-CG1 3.31Å; V62-V120 HydrophobicContact CG1-CG1 3.73Å; V62-V120 HydrophobicContact CG2-CG1 3.47Å; V62-V120 VanDerWaalsContact CG2-CG1 3.47Å; E63-V120 WeakPolarHBondContact O-CA 3.34Å; L115-V120 HydrophobicContact CB-CG2 3.93Å; L115-V120 HydrophobicContact CD1-CG2 3.79Å; L115-V120 HydrophobicContact CG-CG2 4.5Å; H117-V120 PolarHBondContact O-N 3.28Å; H117-V120 VanDerWaalsContact O-O 3.08Å; R118-V120 VanDerWaalsContact C-N 3.25Å |
| 121 | K | 97.7 | Very high | 96.2 | Very high | 47 Ų | 47 | 52 Ų | 52 | 20% | 0.204 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.9 | 174.7 | -83.1 | -177.6 | 178 | 179.5 | 0 | 111.3 | V62 E63 L65 P130 E132 | V62-K121 CarbonylContact C-O 3.53Å; V62-K121 WeakPolarHBondContact CA-O 3.43Å; V62-K121 VanDerWaalsContact CB-O 3.28Å; V62-K121 WeakPolarHBondContact CB-O 3.36Å; E63-K121 PolarHBondContact N-O 3.28Å; E63-K121 PolarHBondContact O-N 3.12Å; L65-K121 HydrophobicContact CD1-CD 3.84Å; L65-K121 HydrophobicContact CD1-CG 3.89Å; L65-K121 HydrophobicContact CD2-CB 4.46Å; L65-K121 HydrophobicContact CD2-CD 4.17Å; L65-K121 HydrophobicContact CD2-CG 4.42Å; L65-K121 HydrophobicContact CG-CD 4.49Å; L65-K121 HydrophobicContact CG-CG 4.4Å; K121-P130 HydrophobicContact CB-CB 3.85Å; K121-P130 HydrophobicContact CD-CB 4.26Å; K121-E132 VanDerWaalsContact CE-CD 3.48Å; K121-E132 WeakPolarHBondContact CE-OE1 3.43Å; K121-E132 VanDerWaalsContact NZ-CD 3.3Å; K121-E132 IonicContact NZ-OE1 2.74Å; K121-E132 PolarHBondContact NZ-OE1 3.48Å; K121-E132 IonicContact NZ-OE2 2.59Å |
| 122 | L | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 146.6 | 169.1 | -75.6 | 176.3 | 0 | 0 | 0 | 109.7 | Y55 L56 D60 V62 P130 T131 I133 I154 | Y55-L122 HydrophobicContact CD2-CD1 4.01Å; Y55-L122 HydrophobicContact CD2-CG 4.37Å; L56-L122 HydrophobicContact CD2-CD1 4.43Å; L56-L122 HydrophobicContact CD2-CD2 3.71Å; L56-L122 HydrophobicContact CD2-CG 3.69Å; D60-L122 HydrophobicContact CB-CD2 3.57Å; V62-L122 HydrophobicContact CG1-CD2 3.86Å; L122-P130 WeakPolarHBondContact O-CA 3.48Å; L122-T131 PolarHBondContact O-N 3.42Å; L122-T131 PolarHBondContact O-OG1 3.35Å; L122-I133 HydrophobicContact CB-CD1 4.04Å; L122-I133 HydrophobicContact CB-CG1 4.28Å; L122-I133 HydrophobicContact CD1-CD1 3.81Å; L122-I133 HydrophobicContact CD1-CG1 3.88Å; L122-I133 HydrophobicContact CG-CD1 4.48Å; L122-I133 HydrophobicContact CG-CG1 4.45Å; L122-I154 HydrophobicContact CB-CD1 4.09Å; L122-I154 HydrophobicContact CD1-CD1 4.24Å; L122-I154 HydrophobicContact CD1-CG2 4.36Å |
| 123 | V | 97.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.4 | 173.7 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | T61 E63 Q73 R128 | T61-V123 HydrophobicContact CG2-CB 4.25Å; T61-V123 HydrophobicContact CG2-CG2 4.18Å; T61-V123 PolarHBondContact O-N 3.47Å; T61-V123 VanDerWaalsContact O-N 3.12Å; E63-V123 HydrophobicContact CB-CG2 4.01Å; Q73-V123 HydrophobicContact CG-CG2 3.97Å; V123-R128 VanDerWaalsContact CG1-CA 3.48Å; V123-R128 HydrophobicContact CG1-CB 4.13Å |
| 124 | D | 96.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 130.2 | 175.7 | -163.7 | -44.7 | 0 | 0 | 0 | 110.8 | M126 D127 R128 K129 T131 S147 S150 | D124-M126 PolarHBondContact O-N 2.96Å; D124-M126 VanDerWaalsContact OD1-CB 3.32Å; D124-M126 WeakPolarHBondContact OD1-CB 3.36Å; D124-M126 PolarHBondContact OD1-N 2.83Å; D124-D127 VanDerWaalsContact CB-OD1 3.24Å; D124-D127 WeakPolarHBondContact CB-OD1 3.27Å; D124-R128 VanDerWaalsContact O-CA 3.24Å; D124-R128 WeakPolarHBondContact O-CA 3.42Å; D124-R128 PolarHBondContact O-N 3.25Å; D124-K129 PolarHBondContact N-O 2.76Å; D124-T131 HydrophobicContact CB-CG2 3.7Å; D124-S147 WeakPolarHBondContact OD2-CB 3.28Å; D124-S147 PolarHBondContact OD2-OG 3.02Å; D124-S150 PolarHBondContact OD1-OG 3.45Å; D124-S150 WeakPolarHBondContact OD2-CB 3.29Å; D124-S150 PolarHBondContact OD2-N 3.39Å; D124-S150 PolarHBondContact OD2-OG 2.79Å |
| 125 | P | 93.5 | Very high | 96.2 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 47% | 0.468 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -21 | 176.8 | 26.4 | -36.2 | 0 | 0 | 0 | 113.8 | R152 I154 | P125-R152 HydrophobicContact CG-CB 4.4Å; P125-I154 HydrophobicContact CG-CG1 4.49Å |
| 126 | M | 94.3 | Very high | 96.1 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 51% | 0.512 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -53.1 | -177 | -164.3 | 173.3 | -149 | 0 | 0 | 112.9 | D124 | D124-M126 PolarHBondContact O-N 2.96Å; D124-M126 VanDerWaalsContact OD1-CB 3.32Å; D124-M126 WeakPolarHBondContact OD1-CB 3.36Å; D124-M126 PolarHBondContact OD1-N 2.83Å |
| 127 | D | 93.6 | Very high | 96 | Very high | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 0.9 | -169.8 | 61 | 22.4 | 0 | 0 | 0 | 113.9 | D124 K129 R149 | D124-D127 VanDerWaalsContact CB-OD1 3.24Å; D124-D127 WeakPolarHBondContact CB-OD1 3.27Å; D127-K129 PolarHBondContact O-N 2.59Å; D127-K129 PolarHBondContact OD1-N 3.25Å; D127-K129 VanDerWaalsContact OD1-N 3.17Å; D127-R149 IonicContact OD1-NE 3.69Å; D127-R149 IonicContact OD2-CZ 3.58Å; D127-R149 IonicContact OD2-NE 2.66Å; D127-R149 PolarHBondContact OD2-NE 2.9Å; D127-R149 IonicContact OD2-NH2 3.89Å; D127-R149 PolarHBondContact OD2-NH2 3.07Å |
| 128 | R | 94.7 | Very high | 95.8 | Very high | 190 Ų | 190 | 68.2 Ų | 68.2 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | trans | 58.2 | 28.5 | 176.4 | -54.7 | -178.9 | -179 | 168.2 | -0.4 | 114 | Q73 V123 D124 | Q73-R128 PolarHBondContact NE2-O 2.78Å; V123-R128 VanDerWaalsContact CG1-CA 3.48Å; V123-R128 HydrophobicContact CG1-CB 4.13Å; D124-R128 VanDerWaalsContact O-CA 3.24Å; D124-R128 WeakPolarHBondContact O-CA 3.42Å; D124-R128 PolarHBondContact O-N 3.25Å | ||
| 129 | K | 95.9 | Very high | 95.7 | Very high | 114 Ų | 114 | 69.2 Ų | 69.2 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | trans | -102.8 | 157.4 | 174.4 | -68.8 | -176 | -177.4 | -176.3 | 0 | 110.8 | D124 D127 | D124-K129 PolarHBondContact N-O 2.76Å; D127-K129 PolarHBondContact O-N 2.59Å; D127-K129 PolarHBondContact OD1-N 3.25Å; D127-K129 VanDerWaalsContact OD1-N 3.17Å | ||
| 130 | P | 97 | Very high | 95.4 | Very high | 42 Ų | 42 | 71.8 Ų | 71.8 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 137 | 176.3 | 27.6 | -34 | 0 | 0 | 0 | 110.7 | E63 L65 K121 L122 | E63-P130 HydrophobicContact CB-CB 4.17Å; E63-P130 WeakPolarHBondContact OE1-CG 3.37Å; E63-P130 WeakPolarHBondContact OE2-CD 3.08Å; L65-P130 HydrophobicContact CD2-CB 4.29Å; K121-P130 HydrophobicContact CB-CB 3.85Å; K121-P130 HydrophobicContact CD-CB 4.26Å; L122-P130 WeakPolarHBondContact O-CA 3.48Å |
| 131 | T | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 74.2 Ų | 74.2 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.5 | -175.7 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | L122 D124 S147 R149 | L122-T131 PolarHBondContact O-N 3.42Å; L122-T131 PolarHBondContact O-OG1 3.35Å; D124-T131 HydrophobicContact CB-CG2 3.7Å; T131-S147 WeakPolarHBondContact CB-OG 3.31Å; T131-S147 WeakPolarHBondContact CG2-OG 3.29Å; T131-S147 PolarHBondContact OG1-OG 2.87Å; T131-R149 HydrophobicContact CG2-CB 3.4Å; T131-R149 VanDerWaalsContact CG2-CD 3.48Å; T131-R149 HydrophobicContact CG2-CG 4.07Å |
| 132 | E | 96.3 | Very high | 94.8 | Very high | 100 Ų | 100 | 78.2 Ų | 78.2 | 47% | 0.467 | 39% | 0.393 | S | S | . | . | trans | -79.6 | 152.6 | 164.9 | -60.7 | -65.3 | 179.6 | 0 | 0 | 109.9 | K121 T148 | K121-E132 VanDerWaalsContact CE-CD 3.48Å; K121-E132 WeakPolarHBondContact CE-OE1 3.43Å; K121-E132 VanDerWaalsContact NZ-CD 3.3Å; K121-E132 IonicContact NZ-OE1 2.74Å; K121-E132 PolarHBondContact NZ-OE1 3.48Å; K121-E132 IonicContact NZ-OE2 2.59Å; E132-T148 PolarHBondContact O-N 2.76Å; E132-T148 PolarHBondContact O-OG1 3.33Å | ||
| 133 | I | 96.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 81.8 Ų | 81.8 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.2 | -170.7 | -57.8 | -67.5 | 0 | 0 | 0 | 110 | Y55 L122 R145 V146 I154 | Y55-I133 HydrophobicContact CD2-CB 4.24Å; Y55-I133 HydrophobicContact CD2-CG1 4.05Å; Y55-I133 HydrophobicContact CD2-CG2 4.48Å; Y55-I133 HydrophobicContact CE2-CG1 4.19Å; Y55-I133 HydrophobicContact CG-CB 4.25Å; Y55-I133 HydrophobicContact CG-CG2 4.23Å; L122-I133 HydrophobicContact CB-CD1 4.04Å; L122-I133 HydrophobicContact CB-CG1 4.28Å; L122-I133 HydrophobicContact CD1-CD1 3.81Å; L122-I133 HydrophobicContact CD1-CG1 3.88Å; L122-I133 HydrophobicContact CG-CD1 4.48Å; L122-I133 HydrophobicContact CG-CG1 4.45Å; I133-R145 HydrophobicContact CG2-CB 3.84Å; I133-R145 HydrophobicContact CG2-CG 4.26Å; I133-V146 WeakPolarHBondContact CA-O 3.46Å; I133-I154 HydrophobicContact CD1-CD1 3.54Å; I133-I154 HydrophobicContact CD1-CG1 4.48Å |
| 134 | E | 95.6 | Very high | 94.5 | Very high | 88 Ų | 88 | 82.1 Ų | 82.1 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.5 | 170.8 | -167.6 | -178.3 | -172 | 0 | 0 | 109.5 | R136 V146 | E134-R136 HydrophobicContact CG-CG 4.36Å; E134-R136 IonicContact OE2-CZ 3.25Å; E134-R136 VanDerWaalsContact OE2-CZ 3.25Å; E134-R136 IonicContact OE2-NE 2.94Å; E134-R136 PolarHBondContact OE2-NE 3.5Å; E134-R136 IonicContact OE2-NH2 3.63Å; E134-R136 PolarHBondContact OE2-NH2 3.4Å; E134-V146 PolarHBondContact N-O 3.43Å; E134-V146 PolarHBondContact O-N 2.95Å |
| 135 | W | 94.8 | Very high | 94.5 | Very high | 48 Ų | 48 | 82.2 Ų | 82.2 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.8 | 169.5 | -76.2 | 110.4 | 0 | 0 | 0 | 109.6 | E52 D53 W54 F57 R143 V144 R145 | E52-W135 PolarHBondContact O-NE1 2.68Å; D53-W135 PolarHBondContact O-NE1 3.18Å; W54-W135 WeakPolarHBondContact O-CZ2 3.32Å; F57-W135 HydrophobicContact CE2-CH2 4.21Å; F57-W135 HydrophobicContact CE2-CZ2 4.43Å; F57-W135 HydrophobicContact CZ-CH2 4.48Å; W135-R143 HydrophobicContact CD2-CG 4.27Å; W135-R143 HydrophobicContact CE3-CG 3.58Å; W135-R143 VanDerWaalsContact CG-NH2 3.31Å; W135-R143 HydrophobicContact CZ3-CG 4.05Å; W135-V144 VanDerWaalsContact CE3-C 3.49Å; W135-V144 VanDerWaalsContact CE3-O 3.31Å; W135-R145 HydrophobicContact CD2-CG 4.28Å; W135-R145 HydrophobicContact CE3-CG 3.81Å; W135-R145 HydrophobicContact CH2-CG 3.29Å; W135-R145 HydrophobicContact CZ2-CG 3.78Å; W135-R145 HydrophobicContact CZ3-CB 4.38Å; W135-R145 HydrophobicContact CZ3-CG 3.32Å |
| 136 | R | 94.9 | Very high | 94.6 | Very high | 118 Ų | 118 | 79 Ų | 79 | 45% | 0.445 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 161.8 | 173.8 | -61.5 | -170 | -175.8 | 169.6 | -0.6 | 110.5 | E134 R143 V144 V146 | E134-R136 HydrophobicContact CG-CG 4.36Å; E134-R136 IonicContact OE2-CZ 3.25Å; E134-R136 VanDerWaalsContact OE2-CZ 3.25Å; E134-R136 IonicContact OE2-NE 2.94Å; E134-R136 PolarHBondContact OE2-NE 3.5Å; E134-R136 IonicContact OE2-NH2 3.63Å; E134-R136 PolarHBondContact OE2-NH2 3.4Å; R136-R143 WeakPolarHBondContact O-CA 3.38Å; R136-V144 PolarHBondContact N-O 3.2Å; R136-V144 PolarHBondContact O-N 3.43Å; R136-V146 HydrophobicContact CB-CG2 3.99Å; R136-V146 HydrophobicContact CG-CB 4.44Å; R136-V146 HydrophobicContact CG-CG2 4.04Å |
| 137 | F | 94.8 | Very high | 94.8 | Very high | 145 Ų | 145 | 74.1 Ų | 74.1 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135 | 171.3 | -68.5 | -86.5 | 0 | 0 | 0 | 109.4 | E142 R143 | F137-E142 WeakPolarHBondContact CA-O 2.87Å; F137-R143 HydrophobicContact CD1-CB 4.08Å; F137-R143 HydrophobicContact CE1-CB 3.75Å; F137-R143 HydrophobicContact CE1-CG 4.11Å; F137-R143 HydrophobicContact CZ-CB 4.36Å; F137-R143 HydrophobicContact CZ-CG 4.23Å |
| 138 | T | 93.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 75.8 Ų | 75.8 | 27% | 0.27 | 38% | 0.376 | S | S | . | . | trans | -75 | 167.2 | 169.1 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | A140 G141 E142 V144 I153 | T138-A140 PolarHBondContact O-N 3.21Å; T138-G141 WeakPolarHBondContact O-CA 3.48Å; T138-G141 PolarHBondContact O-N 2.93Å; T138-E142 PolarHBondContact N-O 3.22Å; T138-E142 WeakPolarHBondContact OG1-CB 3.28Å; T138-E142 PolarHBondContact OG1-N 3.07Å; T138-E142 VanDerWaalsContact OG1-N 3.08Å; T138-E142 PolarHBondContact OG1-O 2.76Å; T138-V144 HydrophobicContact CG2-CB 4.36Å; T138-V144 HydrophobicContact CG2-CG1 3.7Å; T138-V144 HydrophobicContact CG2-CG2 3.71Å; T138-I153 HydrophobicContact CG2-CD1 4.5Å | ||
| 139 | E | 92.4 | Very high | 94.9 | Very high | 211 Ų | 211 | 73.3 Ų | 73.3 | 99% | 0.986 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.1 | 174 | -62.7 | 178 | -178.4 | 0 | 0 | 112.4 | G141 | E139-G141 PolarHBondContact O-N 3.33Š|
| 140 | A | 91.9 | Very high | 94.8 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -3.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T138 E142 | T138-A140 PolarHBondContact O-N 3.21Å; A140-E142 HydrophobicContact CB-CG 4.45Å |
| 141 | G | 92.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 53% | 0.526 | 36% | 0.364 | S | S | . | . | trans | 81.7 | 9.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T138 E139 | T138-G141 WeakPolarHBondContact O-CA 3.48Å; T138-G141 PolarHBondContact O-N 2.93Å; E139-G141 PolarHBondContact O-N 3.33Å | ||
| 142 | E | 91.8 | Very high | 94.6 | Very high | 131 Ų | 131 | 75.1 Ų | 75.1 | 61% | 0.612 | 38% | 0.384 | S | S | * | . | trans | -81.9 | 132.7 | 178.7 | -59.3 | -172.3 | 161.1 | 0 | 0 | 111.4 | F137 T138 A140 V144 | F137-E142 WeakPolarHBondContact CA-O 2.87Å; T138-E142 PolarHBondContact N-O 3.22Å; T138-E142 WeakPolarHBondContact OG1-CB 3.28Å; T138-E142 PolarHBondContact OG1-N 3.07Å; T138-E142 VanDerWaalsContact OG1-N 3.08Å; T138-E142 PolarHBondContact OG1-O 2.76Å; A140-E142 HydrophobicContact CB-CG 4.45Å; E142-V144 PolarHBondContact O-N 3.32Å | ||
| 143 | R | 92.3 | Very high | 94.5 | Very high | 76 Ų | 76 | 74.5 Ų | 74.5 | 29% | 0.287 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 112.2 | 177.3 | -169.8 | 179 | 171.7 | 170.9 | 2.8 | 110.6 | E52 W135 R136 F137 | E52-R143 VanDerWaalsContact O-CZ 3.23Å; E52-R143 PolarHBondContact O-NH2 3.26Å; W135-R143 HydrophobicContact CD2-CG 4.27Å; W135-R143 HydrophobicContact CE3-CG 3.58Å; W135-R143 VanDerWaalsContact CG-NH2 3.31Å; W135-R143 HydrophobicContact CZ3-CG 4.05Å; R136-R143 WeakPolarHBondContact O-CA 3.38Å; F137-R143 HydrophobicContact CD1-CB 4.08Å; F137-R143 HydrophobicContact CE1-CB 3.75Å; F137-R143 HydrophobicContact CE1-CG 4.11Å; F137-R143 HydrophobicContact CZ-CB 4.36Å; F137-R143 HydrophobicContact CZ-CG 4.23Å |
| 144 | V | 95.2 | Very high | 94.4 | Very high | 24 Ų | 24 | 74 Ų | 74 | 15% | 0.145 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.5 | -175.5 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | W135 R136 T138 E142 V146 I153 | W135-V144 VanDerWaalsContact CE3-C 3.49Å; W135-V144 VanDerWaalsContact CE3-O 3.31Å; R136-V144 PolarHBondContact N-O 3.2Å; R136-V144 PolarHBondContact O-N 3.43Å; T138-V144 HydrophobicContact CG2-CB 4.36Å; T138-V144 HydrophobicContact CG2-CG1 3.7Å; T138-V144 HydrophobicContact CG2-CG2 3.71Å; E142-V144 PolarHBondContact O-N 3.32Å; V144-V146 HydrophobicContact CG2-CG2 4.13Å; V144-I153 HydrophobicContact CB-CG2 3.93Å; V144-I153 HydrophobicContact CG1-CG2 4.26Å; V144-I153 HydrophobicContact CG2-CD1 4.22Å; V144-I153 HydrophobicContact CG2-CG1 4.17Å; V144-I153 HydrophobicContact CG2-CG2 4.45Å |
| 145 | R | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 74.2 Ų | 74.2 | 0% | 0.004 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 130.8 | 173.6 | -59 | 177.2 | -67.1 | 174.3 | 1.6 | 108.5 | Y55 D60 I133 W135 I153 I154 P155 | Y55-R145 VanDerWaalsContact O-CD 3.3Å; Y55-R145 WeakPolarHBondContact O-CD 3.3Å; Y55-R145 PolarHBondContact O-NH1 3.02Å; D60-R145 VanDerWaalsContact CG-NH1 3.31Å; D60-R145 IonicContact OD1-CZ 2.64Å; D60-R145 IonicContact OD1-NH1 3.26Å; D60-R145 PolarHBondContact OD1-NH1 3.37Å; D60-R145 IonicContact OD1-NH2 2.8Å; D60-R145 PolarHBondContact OD1-NH2 2.95Å; D60-R145 IonicContact OD2-CZ 3.96Å; D60-R145 IonicContact OD2-NH1 2.68Å; D60-R145 PolarHBondContact OD2-NH1 2.9Å; D60-R145 IonicContact OD2-NH2 3.62Å; I133-R145 HydrophobicContact CG2-CB 3.84Å; I133-R145 HydrophobicContact CG2-CG 4.26Å; W135-R145 HydrophobicContact CD2-CG 4.28Å; W135-R145 HydrophobicContact CE3-CG 3.81Å; W135-R145 HydrophobicContact CH2-CG 3.29Å; W135-R145 HydrophobicContact CZ2-CG 3.78Å; W135-R145 HydrophobicContact CZ3-CB 4.38Å; W135-R145 HydrophobicContact CZ3-CG 3.32Å; R145-I153 CarbonylContact O-C 3.54Å; R145-I153 WeakPolarHBondContact O-CA 3.48Å; R145-I154 HydrophobicContact CB-CB 4.37Å; R145-I154 PolarHBondContact NE-O 3.28Å; R145-I154 PolarHBondContact O-N 2.92Å; R145-P155 PolarHBondContact NH2-O 2.74Å |
| 146 | V | 96.6 | Very high | 94 | Very high | 6 Ų | 6 | 77.3 Ų | 77.3 | 4% | 0.036 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.9 | 179.9 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | I133 E134 R136 V144 T148 G151 R152 I153 | I133-V146 WeakPolarHBondContact CA-O 3.46Å; E134-V146 PolarHBondContact N-O 3.43Å; E134-V146 PolarHBondContact O-N 2.95Å; R136-V146 HydrophobicContact CB-CG2 3.99Å; R136-V146 HydrophobicContact CG-CB 4.44Å; R136-V146 HydrophobicContact CG-CG2 4.04Å; V144-V146 HydrophobicContact CG2-CG2 4.13Å; V146-T148 PolarHBondContact O-N 3Å; V146-G151 WeakPolarHBondContact CG1-O 3.35Å; V146-R152 WeakPolarHBondContact CA-O 3.37Å; V146-I153 HydrophobicContact CG2-CG1 4.18Å |
| 147 | S | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 123.3 | 171.7 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | D124 T131 R149 S150 G151 R152 | D124-S147 WeakPolarHBondContact OD2-CB 3.28Å; D124-S147 PolarHBondContact OD2-OG 3.02Å; T131-S147 WeakPolarHBondContact CB-OG 3.31Å; T131-S147 WeakPolarHBondContact CG2-OG 3.29Å; T131-S147 PolarHBondContact OG1-OG 2.87Å; S147-R149 PolarHBondContact O-N 3.46Å; S147-R149 PolarHBondContact OG-N 2.98Å; S147-S150 PolarHBondContact OG-N 2.67Å; S147-G151 WeakPolarHBondContact O-CA 3.17Å; S147-G151 PolarHBondContact O-N 2.96Å; S147-R152 PolarHBondContact N-O 3.15Å |
| 148 | T | 96 | Very high | 93.1 | Very high | 87 Ų | 87 | 72 Ų | 72 | 53% | 0.534 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.5 | 174.5 | -49.5 | 0 | 0 | 0 | 0 | 112 | E132 V146 | E132-T148 PolarHBondContact O-N 2.76Å; E132-T148 PolarHBondContact O-OG1 3.33Å; V146-T148 PolarHBondContact O-N 3Å |
| 149 | R | 94.6 | Very high | 92 | Very high | 138 Ų | 138 | 75.4 Ų | 75.4 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -46.8 | -174.4 | -170.3 | 177.3 | 149.6 | 59.8 | 21.8 | 113 | D127 T131 S147 | D127-R149 IonicContact OD1-NE 3.69Å; D127-R149 IonicContact OD2-CZ 3.58Å; D127-R149 IonicContact OD2-NE 2.66Å; D127-R149 PolarHBondContact OD2-NE 2.9Å; D127-R149 IonicContact OD2-NH2 3.89Å; D127-R149 PolarHBondContact OD2-NH2 3.07Å; T131-R149 HydrophobicContact CG2-CB 3.4Å; T131-R149 VanDerWaalsContact CG2-CD 3.48Å; T131-R149 HydrophobicContact CG2-CG 4.07Å; S147-R149 PolarHBondContact O-N 3.46Å; S147-R149 PolarHBondContact OG-N 2.98Å |
| 150 | S | 94.7 | Very high | 90.5 | Very high | 36 Ų | 36 | 69.4 Ų | 69.4 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -11.4 | -180 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | D124 S147 R152 | D124-S150 PolarHBondContact OD1-OG 3.45Å; D124-S150 WeakPolarHBondContact OD2-CB 3.29Å; D124-S150 PolarHBondContact OD2-N 3.39Å; D124-S150 PolarHBondContact OD2-OG 2.79Å; S147-S150 PolarHBondContact OG-N 2.67Å; S150-R152 PolarHBondContact O-N 2.75Å; S150-R152 WeakPolarHBondContact OG-CB 3.35Å; S150-R152 PolarHBondContact OG-N 3.33Å |
| 151 | G | 94 | Very high | 88.9 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | trans | 69.4 | 5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V146 S147 | V146-G151 WeakPolarHBondContact CG1-O 3.35Å; S147-G151 WeakPolarHBondContact O-CA 3.17Å; S147-G151 PolarHBondContact O-N 2.96Å | ||
| 152 | R | 94.4 | Very high | 87.1 | Confident | 116 Ų | 116 | 75.7 Ų | 75.7 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | trans | -78.8 | 146.4 | -180 | -70.3 | -164.4 | 179.6 | -179.6 | -8.6 | 112.1 | P125 V146 S147 S150 | P125-R152 HydrophobicContact CG-CB 4.4Å; V146-R152 WeakPolarHBondContact CA-O 3.37Å; S147-R152 PolarHBondContact N-O 3.15Å; S150-R152 PolarHBondContact O-N 2.75Å; S150-R152 WeakPolarHBondContact OG-CB 3.35Å; S150-R152 PolarHBondContact OG-N 3.33Å | ||
| 153 | I | 95.1 | Very high | 85.4 | Confident | 88 Ų | 88 | 75.7 Ų | 75.7 | 45% | 0.451 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130.3 | 172.9 | -64.3 | 167.9 | 0 | 0 | 0 | 109.2 | T138 V144 R145 V146 P155 | T138-I153 HydrophobicContact CG2-CD1 4.5Å; V144-I153 HydrophobicContact CB-CG2 3.93Å; V144-I153 HydrophobicContact CG1-CG2 4.26Å; V144-I153 HydrophobicContact CG2-CD1 4.22Å; V144-I153 HydrophobicContact CG2-CG1 4.17Å; V144-I153 HydrophobicContact CG2-CG2 4.45Å; R145-I153 CarbonylContact O-C 3.54Å; R145-I153 WeakPolarHBondContact O-CA 3.48Å; V146-I153 HydrophobicContact CG2-CG1 4.18Å; I153-P155 WeakPolarHBondContact O-CD 3.46Å |
| 154 | I | 94.8 | Very high | 83.5 | Confident | 14 Ų | 14 | 74.9 Ų | 74.9 | 7% | 0.072 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 103.7 | 169.8 | -52.8 | -171.2 | 0 | 0 | 0 | 107.7 | L122 P125 I133 R145 | L122-I154 HydrophobicContact CB-CD1 4.09Å; L122-I154 HydrophobicContact CD1-CD1 4.24Å; L122-I154 HydrophobicContact CD1-CG2 4.36Å; P125-I154 HydrophobicContact CG-CG1 4.49Å; I133-I154 HydrophobicContact CD1-CD1 3.54Å; I133-I154 HydrophobicContact CD1-CG1 4.48Å; R145-I154 HydrophobicContact CB-CB 4.37Å; R145-I154 PolarHBondContact NE-O 3.28Å; R145-I154 PolarHBondContact O-N 2.92Å |
| 155 | P | 91.1 | Very high | 81.4 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 61% | 0.61 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 146.4 | -175.6 | 28 | -34.9 | 0 | 0 | 0 | 110.2 | R145 I153 | R145-P155 PolarHBondContact NH2-O 2.74Å; I153-P155 WeakPolarHBondContact O-CD 3.46Å |
| 156 | K | 90.6 | Very high | 79.3 | Confident | 112 Ų | 112 | 81.2 Ų | 81.2 | 49% | 0.487 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 133.2 | 170.8 | -72.3 | 177 | -179.1 | 167.7 | 0 | 108.2 | F57 | F57-K156 HydrophobicContact CD2-CG 4.3Å; F57-K156 HydrophobicContact CE2-CD 4.39Å; F57-K156 HydrophobicContact CE2-CG 4.19Å; F57-K156 HydrophobicContact CZ-CD 4.48Å |
| 157 | P | 89.1 | Confident | 77.2 | Confident | 27 Ų | 27 | 84 Ų | 84 | 18% | 0.175 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -63 | 140.5 | 176.8 | 26.5 | -32.7 | 0 | 0 | 0 | 108.8 | F57 C58 D60 F159 | F57-P157 HydrophobicContact CB-CG 3.66Å; C58-P157 WeakPolarHBondContact O-CB 3.35Å; C58-P157 WeakPolarHBondContact O-CG 3.48Å; D60-P157 VanDerWaalsContact OD1-CD 3.28Å; D60-P157 WeakPolarHBondContact OD1-CD 3.16Å; P157-F159 PolarHBondContact O-N 3.11Å |
| 158 | E | 82.1 | Confident | 75.1 | Confident | 125 Ų | 125 | 91.2 Ų | 91.2 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 124.3 | 174.6 | -58.5 | -163.5 | 161.7 | 0 | 0 | 109.1 | ||
| 159 | F | 69.2 | Low | 72.8 | Confident | 115 Ų | 115 | 92.8 Ų | 92.8 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 122.6 | 171.7 | -73.2 | -91.3 | 0 | 0 | 0 | 108.1 | F57 C58 P157 R161 | F57-F159 HydrophobicContact CB-CE2 4.13Å; F57-F159 HydrophobicContact CB-CZ 3.92Å; F57-F159 HydrophobicContact CD1-CE2 4.23Å; F57-F159 HydrophobicContact CD1-CZ 4.26Å; C58-F159 HydrophobicContact CB-CE1 3.62Å; C58-F159 HydrophobicContact CB-CZ 4.19Å; P157-F159 PolarHBondContact O-N 3.11Å; F159-R161 PolarHBondContact O-N 3.3Å |
| 160 | P | 62.4 | Low | 70.5 | Confident | 86 Ų | 86 | 94.3 Ų | 94.3 | 56% | 0.558 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 139.1 | 169 | 25.7 | -31.8 | 0 | 0 | 0 | 108 | ||
| 161 | R | 57.3 | Low | 68 | Low | 158 Ų | 158 | 100 Ų | 100 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 152.9 | 172.9 | -66 | -178.8 | -179.9 | 179 | 3.4 | 108.5 | F159 D163 G164 | F159-R161 PolarHBondContact O-N 3.3Å; R161-D163 PolarHBondContact O-N 3.18Å; R161-G164 PolarHBondContact O-N 3.01Å |
| 162 | A | 54.1 | Low | 65.6 | Low | 111 Ų | 111 | 103.3 Ų | 103.3 | 92% | 0.917 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -23.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G164 | A162-G164 PolarHBondContact O-N 2.82Š|
| 163 | D | 55.6 | Low | 63.3 | Low | 130 Ų | 130 | 104.7 Ų | 104.7 | 70% | 0.695 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -5.4 | 176.4 | -47.9 | -43.1 | 0 | 0 | 0 | 113.9 | R161 I165 | R161-D163 PolarHBondContact O-N 3.18Å; D163-I165 VanDerWaalsContact C-N 3.26Å; D163-I165 HydrophobicContact CB-CD1 4.36Å; D163-I165 HydrophobicContact CB-CG1 4.43Å; D163-I165 PolarHBondContact O-N 3.45Å |
| 164 | G | 53.8 | Low | 61.7 | Low | 59 Ų | 59 | 105.5 Ų | 105.5 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | trans | 78.3 | 1.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R161 A162 | R161-G164 PolarHBondContact O-N 3.01Å; A162-G164 PolarHBondContact O-N 2.82Å | ||
| 165 | I | 51.3 | Low | 59.9 | Low | 96 Ų | 96 | 110.3 Ų | 110.3 | 49% | 0.492 | 63% | 0.632 | S | S | . | * | trans | -84.1 | 121.6 | 179.9 | -57.9 | 169.8 | 0 | 0 | 0 | 109.6 | D163 | D163-I165 VanDerWaalsContact C-N 3.26Å; D163-I165 HydrophobicContact CB-CD1 4.36Å; D163-I165 HydrophobicContact CB-CG1 4.43Å; D163-I165 PolarHBondContact O-N 3.45Å | ||
| 166 | V | 51 | Low | 58.2 | Low | 62 Ų | 62 | 111.2 Ų | 111.2 | 38% | 0.376 | 63% | 0.634 | S | S | . | * | trans | -88.6 | 119.7 | 169.4 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | E168 T169 | V166-E168 VanDerWaalsContact C-N 3.25Å; V166-E168 HydrophobicContact CG1-CB 4.42Å; V166-E168 PolarHBondContact O-N 3.41Å; V166-T169 PolarHBondContact O-N 3.05Å; V166-T169 PolarHBondContact O-OG1 2.94Å | ||
| 167 | P | 52.3 | Low | 56.3 | Low | 66 Ų | 66 | 111.2 Ų | 111.2 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -56.7 | -35.9 | -175.1 | -25.5 | 33.9 | 0 | 0 | 0 | 114 | T169 W170 | P167-T169 PolarHBondContact O-N 3.12Å; P167-W170 PolarHBondContact O-N 3.49Å |
| 168 | E | 53.2 | Low | 54.2 | Low | 151 Ų | 151 | 116.4 Ų | 116.4 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -67.3 | -18.9 | -176.8 | -58 | -167.1 | 145.3 | 0 | 0 | 114.2 | V166 W170 | V166-E168 VanDerWaalsContact C-N 3.25Å; V166-E168 HydrophobicContact CG1-CB 4.42Å; V166-E168 PolarHBondContact O-N 3.41Å; E168-W170 VanDerWaalsContact C-N 3.34Å |
| 169 | T | 48.6 | Very low | 52.4 | Low | 119 Ų | 119 | 115.9 Ų | 115.9 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -89.4 | -2.7 | 179.3 | -17.8 | 0 | 0 | 0 | 0 | 112.9 | V166 P167 | V166-T169 PolarHBondContact O-N 3.05Å; V166-T169 PolarHBondContact O-OG1 2.94Å; P167-T169 PolarHBondContact O-N 3.12Å |
| 170 | W | 45.9 | Very low | 51.2 | Low | 171 Ų | 171 | 115.9 Ų | 115.9 | 65% | 0.648 | 69% | 0.69 | S | S | * | * | trans | -100.8 | 94.5 | -179.5 | -165.7 | 69 | 0 | 0 | 0 | 109.5 | P167 E168 D172 | P167-W170 PolarHBondContact O-N 3.49Å; E168-W170 VanDerWaalsContact C-N 3.34Å; W170-D172 WeakPolarHBondContact CH2-OD1 3.5Å; W170-D172 WeakPolarHBondContact CZ2-OD1 3.33Å; W170-D172 WeakPolarHBondContact CZ3-OD1 3.35Å; W170-D172 WeakPolarHBondContact CZ3-OD2 3.35Å; W170-D172 PolarHBondContact O-N 3.37Å | ||
| 171 | I | 42.9 | Very low | 50.3 | Low | 155 Ų | 155 | 118.2 Ų | 118.2 | 80% | 0.795 | 70% | 0.7 | S | S | * | * | trans | -80.5 | 112.1 | 165.8 | -60.9 | 168.9 | 0 | 0 | 0 | 105.6 | G173 | I171-G173 PolarHBondContact O-N 3.39Å; I171-G173 VanDerWaalsContact O-N 3.08Å | ||
| 172 | D | 42.5 | Very low | 49.7 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | trans | -53.6 | 110.9 | 163.5 | -85.9 | -56.2 | 0 | 0 | 0 | 108.4 | W170 | W170-D172 WeakPolarHBondContact CH2-OD1 3.5Å; W170-D172 WeakPolarHBondContact CZ2-OD1 3.33Å; W170-D172 WeakPolarHBondContact CZ3-OD1 3.35Å; W170-D172 WeakPolarHBondContact CZ3-OD2 3.35Å; W170-D172 PolarHBondContact O-N 3.37Å | ||
| 173 | G | 45.5 | Very low | 49.3 | Very low | 145 Ų | 145 | 115.3 Ų | 115.3 | 100% | 1.495 | 69% | 0.689 | S | S | * | * | trans | -82.4 | 0 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I171 | I171-G173 PolarHBondContact O-N 3.39Å; I171-G173 VanDerWaalsContact O-N 3.08Å |
Retrieved 173 of 173 residues in 49.7 ms
(Link to these results)