| 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 | 62.3 | Low | 84.6 | Confident | 186 Ų | 186 | 115 Ų | 115 | 92% | 0.916 | 58% | 0.584 | S | S | * | * | 0 | -49 | 0 | -67.2 | 174 | 71.5 | 0 | 0 | 114.1 | L4 R5 | M1-L4 PolarHBondContact O-N 3.39Å; M1-R5 PolarHBondContact O-N 3.08Å | |||
| 2 | K | 73.1 | Confident | 85 | Confident | 185 Ų | 185 | 120.3 Ų | 120.3 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.4 | -47.8 | -179.8 | -67.4 | -178.2 | -180 | 179.7 | 0 | 113.5 | L4 R5 V6 | K2-L4 PolarHBondContact O-N 3.48Å; K2-R5 PolarHBondContact O-N 3.48Å; K2-V6 WeakPolarHBondContact O-CG2 3.28Å; K2-V6 PolarHBondContact O-N 3.42Å; K2-V6 VanDerWaalsContact O-N 3.16Å |
| 3 | S | 81 | Confident | 85.3 | Confident | 86 Ų | 86 | 119.5 Ų | 119.5 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.4 | -43.3 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | R5 V6 L7 | S3-R5 VanDerWaalsContact C-N 3.34Å; S3-R5 PolarHBondContact O-N 2.82Å; S3-V6 PolarHBondContact O-N 3.4Å; S3-V6 VanDerWaalsContact O-N 3.16Å; S3-L7 WeakPolarHBondContact O-CG 3.28Å; S3-L7 PolarHBondContact O-N 3.04Å |
| 4 | L | 88.1 | Confident | 85.4 | Confident | 112 Ų | 112 | 119.2 Ų | 119.2 | 59% | 0.586 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.7 | -40.6 | 176.3 | -174.8 | 63.8 | 0 | 0 | 0 | 112.5 | M1 K2 V6 L7 L8 | M1-L4 PolarHBondContact O-N 3.39Å; K2-L4 PolarHBondContact O-N 3.48Å; L4-V6 PolarHBondContact O-N 2.85Å; L4-L7 PolarHBondContact O-N 3.22Å; L4-L8 HydrophobicContact CG-CD1 4.27Å; L4-L8 VanDerWaalsContact O-CG 3.27Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 2.97Å |
| 5 | R | 86.1 | Confident | 85.3 | Confident | 177 Ų | 177 | 118 Ų | 118 | 67% | 0.668 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 175.6 | -71.5 | -174.6 | 179 | -172.4 | -0.5 | 112.1 | M1 K2 S3 L8 V9 | M1-R5 PolarHBondContact O-N 3.08Å; K2-R5 PolarHBondContact O-N 3.48Å; S3-R5 VanDerWaalsContact C-N 3.34Å; S3-R5 PolarHBondContact O-N 2.82Å; R5-L8 PolarHBondContact O-N 3.29Å; R5-V9 WeakPolarHBondContact O-CG2 3.24Å; R5-V9 PolarHBondContact O-N 3.01Å |
| 6 | V | 89.3 | Confident | 85.2 | Confident | 86 Ų | 86 | 114.8 Ų | 114.8 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.5 | -45.2 | 177.7 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | K2 S3 L4 L8 V9 I10 | K2-V6 WeakPolarHBondContact O-CG2 3.28Å; K2-V6 PolarHBondContact O-N 3.42Å; K2-V6 VanDerWaalsContact O-N 3.16Å; S3-V6 PolarHBondContact O-N 3.4Å; S3-V6 VanDerWaalsContact O-N 3.16Å; L4-V6 PolarHBondContact O-N 2.85Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 2.78Å; V6-V9 PolarHBondContact O-N 3.47Å; V6-I10 HydrophobicContact CG1-CD1 3.86Å; V6-I10 HydrophobicContact CG1-CG1 4.47Å; V6-I10 WeakPolarHBondContact O-CG1 3.44Å; V6-I10 PolarHBondContact O-N 2.76Å |
| 7 | L | 91 | Very high | 84.9 | Confident | 104 Ų | 104 | 118.8 Ų | 118.8 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.3 | -41.7 | 177.3 | -70.7 | 169 | 0 | 0 | 0 | 112.1 | S3 L4 I10 L11 | S3-L7 WeakPolarHBondContact O-CG 3.28Å; S3-L7 PolarHBondContact O-N 3.04Å; L4-L7 PolarHBondContact O-N 3.22Å; L7-I10 PolarHBondContact O-N 3.45Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 PolarHBondContact O-N 2.96Å |
| 8 | L | 90.9 | Very high | 84.6 | Confident | 81 Ų | 81 | 118.3 Ų | 118.3 | 42% | 0.424 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.2 | -49.8 | 173.8 | -72 | 168.4 | 0 | 0 | 0 | 110.4 | L4 R5 V6 I10 L11 W12 | L4-L8 HydrophobicContact CG-CD1 4.27Å; L4-L8 VanDerWaalsContact O-CG 3.27Å; L4-L8 WeakPolarHBondContact O-CG 3.31Å; L4-L8 PolarHBondContact O-N 2.97Å; R5-L8 PolarHBondContact O-N 3.29Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 2.78Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-I10 PolarHBondContact O-N 3.22Å; L8-L11 WeakPolarHBondContact O-CB 3.43Å; L8-L11 PolarHBondContact O-N 2.95Å; L8-L11 VanDerWaalsContact O-N 3.12Å; L8-W12 PolarHBondContact O-N 3.3Å |
| 9 | V | 90.2 | Very high | 83.9 | Confident | 83 Ų | 83 | 122.8 Ų | 122.8 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -58.5 | -43.7 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | R5 V6 L11 W12 L13 | R5-V9 WeakPolarHBondContact O-CG2 3.24Å; R5-V9 PolarHBondContact O-N 3.01Å; V6-V9 PolarHBondContact O-N 3.47Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.27Å; V9-W12 PolarHBondContact O-N 3.22Å; V9-L13 HydrophobicContact CG1-CD1 4.01Å; V9-L13 HydrophobicContact CG1-CG 4.46Å; V9-L13 VanDerWaalsContact O-CG 3.29Å; V9-L13 WeakPolarHBondContact O-CG 3.43Å; V9-L13 PolarHBondContact O-N 3.4Å |
| 10 | I | 89.3 | Confident | 83.4 | Confident | 76 Ų | 76 | 121.3 Ų | 121.3 | 39% | 0.39 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.3 | -43.6 | 176.1 | -65.8 | 166.5 | 0 | 0 | 0 | 110.5 | V6 L7 L8 W12 L13 Q14 | V6-I10 HydrophobicContact CG1-CD1 3.86Å; V6-I10 HydrophobicContact CG1-CG1 4.47Å; V6-I10 WeakPolarHBondContact O-CG1 3.44Å; V6-I10 PolarHBondContact O-N 2.76Å; L7-I10 PolarHBondContact O-N 3.45Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-I10 PolarHBondContact O-N 3.22Å; I10-W12 PolarHBondContact O-N 2.87Å; I10-L13 PolarHBondContact O-N 2.99Å; I10-Q14 HydrophobicContact CG2-CG 4.42Å; I10-Q14 WeakPolarHBondContact O-CG 3.35Å; I10-Q14 PolarHBondContact O-N 2.7Å |
| 11 | L | 89.4 | Confident | 82.8 | Confident | 89 Ų | 89 | 121.4 Ų | 121.4 | 47% | 0.466 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.5 | -43.2 | 177.1 | -173 | 69.8 | 0 | 0 | 0 | 111.5 | L7 L8 V9 L13 Q14 L15 | L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 PolarHBondContact O-N 2.96Å; L8-L11 WeakPolarHBondContact O-CB 3.43Å; L8-L11 PolarHBondContact O-N 2.95Å; L8-L11 VanDerWaalsContact O-N 3.12Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.27Å; L11-L13 PolarHBondContact O-N 3.03Å; L11-Q14 PolarHBondContact O-N 2.74Å; L11-L15 HydrophobicContact CG-CD1 4.12Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.34Å |
| 12 | W | 89.5 | Confident | 83.2 | Confident | 179 Ų | 179 | 119.5 Ų | 119.5 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.2 | -42.6 | 174.8 | -69.5 | 112.2 | 0 | 0 | 0 | 112.1 | L8 V9 I10 L15 S16 | L8-W12 PolarHBondContact O-N 3.3Å; V9-W12 PolarHBondContact O-N 3.22Å; I10-W12 PolarHBondContact O-N 2.87Å; W12-L15 PolarHBondContact O-N 2.72Å; W12-S16 PolarHBondContact O-N 2.92Å; W12-S16 PolarHBondContact O-OG 2.89Å |
| 13 | L | 88.8 | Confident | 83.2 | Confident | 109 Ų | 109 | 114.3 Ų | 114.3 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -38.6 | 176.8 | -71.9 | 169 | 0 | 0 | 0 | 111.9 | V9 I10 L11 S16 W17 | V9-L13 HydrophobicContact CG1-CD1 4.01Å; V9-L13 HydrophobicContact CG1-CG 4.46Å; V9-L13 VanDerWaalsContact O-CG 3.29Å; V9-L13 WeakPolarHBondContact O-CG 3.43Å; V9-L13 PolarHBondContact O-N 3.4Å; I10-L13 PolarHBondContact O-N 2.99Å; L11-L13 PolarHBondContact O-N 3.03Å; L13-S16 PolarHBondContact O-OG 2.93Å; L13-W17 WeakPolarHBondContact O-CB 3.26Å; L13-W17 PolarHBondContact O-N 3.12Å; L13-W17 VanDerWaalsContact O-N 3.13Å |
| 14 | Q | 87 | Confident | 83.5 | Confident | 116 Ų | 116 | 116.3 Ų | 116.3 | 54% | 0.542 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.1 | -43.1 | 176.4 | -73 | 177.9 | -25.1 | 0 | 0 | 111.6 | I10 L11 W17 V18 | I10-Q14 HydrophobicContact CG2-CG 4.42Å; I10-Q14 WeakPolarHBondContact O-CG 3.35Å; I10-Q14 PolarHBondContact O-N 2.7Å; L11-Q14 PolarHBondContact O-N 2.74Å; Q14-W17 PolarHBondContact O-N 2.74Å; Q14-V18 WeakPolarHBondContact O-CG2 3.26Å; Q14-V18 PolarHBondContact O-N 2.72Å |
| 15 | L | 84.4 | Confident | 83.8 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.7 | -41.7 | 178.2 | -72.4 | 169.2 | 0 | 0 | 0 | 112.1 | L11 W12 W17 V18 W19 | L11-L15 HydrophobicContact CG-CD1 4.12Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.33Å; L11-L15 PolarHBondContact O-N 3.34Å; W12-L15 PolarHBondContact O-N 2.72Å; L15-W17 VanDerWaalsContact C-N 3.34Å; L15-V18 PolarHBondContact O-N 2.87Å; L15-W19 PolarHBondContact O-N 3.09Å |
| 16 | S | 83.5 | Confident | 84.3 | Confident | 67 Ų | 67 | 111.3 Ų | 111.3 | 47% | 0.469 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.6 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | W12 L13 W19 S20 | W12-S16 PolarHBondContact O-N 2.92Å; W12-S16 PolarHBondContact O-OG 2.89Å; L13-S16 PolarHBondContact O-OG 2.93Å; S16-W19 PolarHBondContact O-N 3.34Å; S16-S20 PolarHBondContact O-N 2.68Å; S16-S20 VanDerWaalsContact O-N 3.16Å |
| 17 | W | 79.4 | Confident | 84.6 | Confident | 183 Ų | 183 | 110 Ų | 110 | 69% | 0.693 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 178 | -141.2 | 75.7 | 0 | 0 | 0 | 112.4 | L13 Q14 L15 S20 | L13-W17 WeakPolarHBondContact O-CB 3.26Å; L13-W17 PolarHBondContact O-N 3.12Å; L13-W17 VanDerWaalsContact O-N 3.13Å; Q14-W17 PolarHBondContact O-N 2.74Å; L15-W17 VanDerWaalsContact C-N 3.34Å; W17-S20 WeakPolarHBondContact O-CB 3.46Å; W17-S20 PolarHBondContact O-N 2.95Å |
| 18 | V | 80.1 | Confident | 84.5 | Confident | 109 Ų | 109 | 111.6 Ų | 111.6 | 66% | 0.661 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | Q14 L15 S20 Q21 | Q14-V18 WeakPolarHBondContact O-CG2 3.26Å; Q14-V18 PolarHBondContact O-N 2.72Å; L15-V18 PolarHBondContact O-N 2.87Å; V18-S20 VanDerWaalsContact C-N 3.26Å; V18-S20 PolarHBondContact O-N 2.78Å; V18-Q21 PolarHBondContact O-N 2.84Å |
| 19 | W | 71.8 | Confident | 83.9 | Confident | 204 Ų | 204 | 113.9 Ų | 113.9 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.4 | -36 | 178.7 | -163.5 | -7.1 | 0 | 0 | 0 | 111.9 | L15 S16 Q21 Q22 | L15-W19 PolarHBondContact O-N 3.09Å; S16-W19 PolarHBondContact O-N 3.34Å; W19-Q21 PolarHBondContact O-N 2.92Å; W19-Q21 VanDerWaalsContact O-N 3.12Å; W19-Q22 PolarHBondContact O-N 2.84Å |
| 20 | S | 72.4 | Confident | 83.9 | Confident | 92 Ų | 92 | 111.6 Ų | 111.6 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -14.6 | 178.7 | -176 | 0 | 0 | 0 | 0 | 114.8 | S16 W17 V18 | S16-S20 PolarHBondContact O-N 2.68Å; S16-S20 VanDerWaalsContact O-N 3.16Å; W17-S20 WeakPolarHBondContact O-CB 3.46Å; W17-S20 PolarHBondContact O-N 2.95Å; V18-S20 VanDerWaalsContact C-N 3.26Å; V18-S20 PolarHBondContact O-N 2.78Å |
| 21 | Q | 70.6 | Confident | 84 | Confident | 124 Ų | 124 | 114.3 Ų | 114.3 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 4.8 | -174.9 | -62.8 | -63.5 | -46.9 | 0 | 0 | 113.9 | V18 W19 K23 | V18-Q21 PolarHBondContact O-N 2.84Å; W19-Q21 PolarHBondContact O-N 2.92Å; W19-Q21 VanDerWaalsContact O-N 3.12Å; Q21-K23 PolarHBondContact O-N 3.47Å |
| 22 | Q | 70.7 | Confident | 84.2 | Confident | 146 Ų | 146 | 114.7 Ų | 114.7 | 68% | 0.682 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 123.8 | 179.4 | -174.3 | 170.1 | -22.5 | 0 | 0 | 110.5 | W19 E24 | W19-Q22 PolarHBondContact O-N 2.84Å; Q22-E24 PolarHBondContact O-N 2.93Å |
| 23 | K | 73.5 | Confident | 84.5 | Confident | 77 Ų | 77 | 111.7 Ų | 111.7 | 34% | 0.335 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 121.5 | 168.4 | -64.1 | -170 | -174.6 | -145.9 | 0 | 108.4 | Q21 D48 V112 N113 | Q21-K23 PolarHBondContact O-N 3.47Å; K23-D48 HydrophobicContact CD-CB 4.4Å; K23-D48 WeakPolarHBondContact CD-OD2 3.41Å; K23-D48 WeakPolarHBondContact CE-OD2 3.34Å; K23-D48 HydrophobicContact CG-CB 4.22Å; K23-D48 IonicContact NZ-OD2 2.74Å; K23-D48 PolarHBondContact NZ-OD2 3.38Å; K23-V112 HydrophobicContact CB-CG2 4.13Å; K23-V112 HydrophobicContact CD-CG2 4.36Å; K23-N113 PolarHBondContact NZ-OXT 3.48Å |
| 24 | E | 87.1 | Confident | 84.9 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 59% | 0.593 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 132.8 | -177.3 | -170.5 | 172 | -169.9 | 0 | 0 | 109.8 | Q22 Y46 S47 | Q22-E24 PolarHBondContact O-N 2.93Å; E24-Y46 WeakPolarHBondContact O-CA 3.45Å; E24-S47 PolarHBondContact N-OG 3.16Å; E24-S47 PolarHBondContact O-N 3.48Å; E24-S47 PolarHBondContact O-OG 3.31Å |
| 25 | V | 95.1 | Very high | 85.4 | Confident | 48 Ų | 48 | 107.9 Ų | 107.9 | 29% | 0.291 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 145.9 | 167.2 | -64.7 | 0 | 0 | 0 | 0 | 108.5 | T45 V112 | V25-T45 CarbonylContact C-O 3.59Å; V25-T45 VanDerWaalsContact CA-O 3.22Å; V25-T45 WeakPolarHBondContact CA-O 3.22Å; V25-V112 HydrophobicContact CG1-CB 4.25Å; V25-V112 HydrophobicContact CG1-CG1 3.68Å; V25-V112 HydrophobicContact CG1-CG2 3.67Å |
| 26 | E | 95.6 | Very high | 86.1 | Confident | 137 Ų | 137 | 110.4 Ų | 110.4 | 64% | 0.64 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.8 | 129 | 177.2 | -175.9 | -178.9 | -175.2 | 0 | 0 | 109.4 | C44 T45 | E26-C44 WeakPolarHBondContact O-CA 2.99Å; E26-T45 WeakPolarHBondContact CB-OG1 3.26Å; E26-T45 PolarHBondContact N-O 3.01Å; E26-T45 PolarHBondContact O-N 3.38Å; E26-T45 PolarHBondContact O-OG1 3.44Å |
| 27 | Q | 96 | Very high | 86.8 | Confident | 59 Ų | 59 | 109.2 Ų | 109.2 | 28% | 0.276 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.4 | 177.6 | -67.9 | -175.7 | -106.4 | 0 | 0 | 109.3 | S29 C44 Y108 C110 | Q27-S29 PolarHBondContact O-N 2.89Å; Q27-C44 HydrophobicContact CG-CB 3.96Å; Q27-Y108 PolarHBondContact NE2-O 2.74Å; Q27-C110 HydrophobicContact CG-CB 4.5Å; Q27-C110 WeakPolarHBondContact CG-SG 3.4Å; Q27-C110 PolarHBondContact OE1-SG 2.85Å |
| 28 | N | 89.2 | Confident | 87.7 | Confident | 137 Ų | 137 | 102.1 Ų | 102.1 | 73% | 0.733 | 57% | 0.572 | S | S | * | * | trans | -62.5 | 122.3 | 168.1 | -178.5 | 67.5 | 0 | 0 | 0 | 109.9 | G30 | N28-G30 PolarHBondContact ND2-N 2.03Å; N28-G30 PolarHBondContact ND2-O 3.06Å | ||
| 29 | S | 79 | Confident | 88.6 | Confident | 129 Ų | 129 | 102 Ų | 102 | 90% | 0.902 | 57% | 0.566 | S | S | * | * | trans | -84 | -8.9 | -175.2 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | Q27 | Q27-S29 PolarHBondContact O-N 2.89Š| ||
| 30 | G | 89.1 | Confident | 89.8 | Confident | 34 Ų | 34 | 92.7 Ų | 92.7 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -79 | 151.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N28 | N28-G30 PolarHBondContact ND2-N 2.03Å; N28-G30 PolarHBondContact ND2-O 3.06Å |
| 31 | P | 91.7 | Very high | 91 | Very high | 133 Ų | 133 | 91 Ų | 91 | 86% | 0.864 | 52% | 0.521 | S | S | * | . | trans | -61.6 | 140.1 | 171.5 | 28.3 | -34.4 | 0 | 0 | 0 | 110.3 | ||||
| 32 | L | 94.2 | Very high | 92.3 | Very high | 97 Ų | 97 | 86.7 Ų | 86.7 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | trans | -107.8 | 124 | 174.8 | -179.7 | 66 | 0 | 0 | 0 | 108.8 | V34 | L32-V34 HydrophobicContact CD1-CG2 4.26Å; L32-V34 HydrophobicContact CD2-CG2 3.82Å; L32-V34 HydrophobicContact CG-CG2 3.67Å | ||
| 33 | S | 96.4 | Very high | 93.6 | Very high | 117 Ų | 117 | 84.3 Ų | 84.3 | 82% | 0.818 | 49% | 0.494 | S | S | * | . | trans | -106.8 | 125.6 | 171.2 | -65 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 34 | V | 96.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 80.6 Ų | 80.6 | 30% | 0.297 | 48% | 0.478 | S | S | . | . | trans | -126.9 | 131.9 | -176.4 | -174 | 0 | 0 | 0 | 0 | 108.5 | L32 A38 A40 | L32-V34 HydrophobicContact CD1-CG2 4.26Å; L32-V34 HydrophobicContact CD2-CG2 3.82Å; L32-V34 HydrophobicContact CG-CG2 3.67Å; V34-A38 HydrophobicContact CG1-CB 3.88Å; V34-A40 HydrophobicContact CB-CB 4.34Å; V34-A40 HydrophobicContact CG1-CB 4.17Å; V34-A40 HydrophobicContact CG2-CB 3.76Å | ||
| 35 | P | 98 | Very high | 95.2 | Very high | 95 Ų | 95 | 77.4 Ų | 77.4 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | trans | -59.2 | 146.6 | 173.2 | -22.8 | 33.5 | 0 | 0 | 0 | 111.8 | G37 A38 | P35-G37 PolarHBondContact O-N 2.98Å; P35-A38 HydrophobicContact CB-CB 4.14Å; P35-A38 HydrophobicContact CG-CB 4.42Å; P35-A38 VanDerWaalsContact O-CB 3.28Å; P35-A38 WeakPolarHBondContact O-CB 3.43Å; P35-A38 PolarHBondContact O-N 3Å; P35-A38 VanDerWaalsContact O-N 3.08Å | ||
| 36 | E | 98 | Very high | 95.3 | Very high | 154 Ų | 154 | 75.6 Ų | 75.6 | 72% | 0.72 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 138.5 | 172.3 | -171 | 172.7 | 175.4 | 0 | 0 | 110.6 | A38 S100 | E36-A38 PolarHBondContact O-N 2.86Å; E36-S100 CarbonylContact C-O 3.47Å; E36-S100 VanDerWaalsContact CA-O 3.28Å; E36-S100 WeakPolarHBondContact CA-O 3.34Å |
| 37 | G | 98.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 72.4 Ų | 72.4 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -14.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P35 S100 | P35-G37 PolarHBondContact O-N 2.98Å; G37-S100 PolarHBondContact N-O 3.3Å |
| 38 | A | 98.5 | Very high | 95 | Very high | 35 Ų | 35 | 72.1 Ų | 72.1 | 29% | 0.289 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -77.4 | 172.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V34 P35 E36 S100 | V34-A38 HydrophobicContact CG1-CB 3.88Å; P35-A38 HydrophobicContact CB-CB 4.14Å; P35-A38 HydrophobicContact CG-CB 4.42Å; P35-A38 VanDerWaalsContact O-CB 3.28Å; P35-A38 WeakPolarHBondContact O-CB 3.43Å; P35-A38 PolarHBondContact O-N 3Å; P35-A38 VanDerWaalsContact O-N 3.08Å; E36-A38 PolarHBondContact O-N 2.86Å; A38-S100 VanDerWaalsContact O-CB 3.26Å; A38-S100 WeakPolarHBondContact O-CB 3.21Å; A38-S100 PolarHBondContact O-N 2.86Å; A38-S100 PolarHBondContact O-OG 3.48Å |
| 39 | I | 98.4 | Very high | 95.1 | Very high | 105 Ų | 105 | 75.1 Ų | 75.1 | 54% | 0.538 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 117.7 | 176.7 | -56.7 | 176.6 | 0 | 0 | 0 | 108.9 | L96 I97 R98 | I39-L96 HydrophobicContact CG2-CB 4.2Å; I39-I97 CarbonylContact C-O 3.53Å; I39-I97 WeakPolarHBondContact CA-O 3.3Å; I39-R98 HydrophobicContact CD1-CG 4.44Å; I39-R98 HydrophobicContact CG1-CG 4.32Å |
| 40 | A | 97.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 71 Ų | 71 | 8% | 0.083 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 138.8 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | V34 L96 I97 S100 | V34-A40 HydrophobicContact CB-CB 4.34Å; V34-A40 HydrophobicContact CG1-CB 4.17Å; V34-A40 HydrophobicContact CG2-CB 3.76Å; A40-L96 CarbonylContact O-C 3.52Å; A40-L96 VanDerWaalsContact O-CA 3.28Å; A40-L96 WeakPolarHBondContact O-CA 3.48Å; A40-I97 HydrophobicContact CB-CB 4.12Å; A40-I97 HydrophobicContact CB-CD1 4.5Å; A40-I97 HydrophobicContact CB-CG1 4.43Å; A40-I97 PolarHBondContact N-O 2.92Å; A40-I97 PolarHBondContact O-N 3.33Å; A40-S100 PolarHBondContact N-OG 2.84Å |
| 41 | S | 97.7 | Very high | 96 | Very high | 57 Ų | 57 | 69.3 Ų | 69.3 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.6 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | L96 | S41-L96 WeakPolarHBondContact OG-CD2 3.37Å |
| 42 | L | 98 | Very high | 96.1 | Very high | 33 Ų | 33 | 67.8 Ų | 67.8 | 17% | 0.173 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.5 | 176 | -65 | 139.7 | 0 | 0 | 0 | 108.1 | W56 S94 L95 I97 Y108 | L42-W56 HydrophobicContact CB-CH2 3.74Å; L42-W56 HydrophobicContact CB-CZ2 4.49Å; L42-W56 HydrophobicContact CB-CZ3 3.99Å; L42-S94 CarbonylContact O-C 3.58Å; L42-S94 WeakPolarHBondContact O-CA 3.32Å; L42-S94 WeakPolarHBondContact O-CB 3.39Å; L42-L95 HydrophobicContact CB-CB 4.31Å; L42-L95 HydrophobicContact CD1-CB 4.46Å; L42-L95 HydrophobicContact CD1-CD2 3.97Å; L42-L95 HydrophobicContact CD1-CG 4.47Å; L42-L95 PolarHBondContact N-O 3.24Å; L42-L95 PolarHBondContact O-N 3.3Å; L42-I97 HydrophobicContact CD1-CD1 4.17Å; L42-Y108 HydrophobicContact CD1-CD1 4.09Å; L42-Y108 HydrophobicContact CD1-CD2 3.95Å; L42-Y108 HydrophobicContact CD1-CG 3.69Å |
| 43 | N | 97.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 64.6 Ų | 64.6 | 51% | 0.508 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.7 | -179.1 | -65.6 | -28.2 | 0 | 0 | 0 | 110.3 | S94 | N43-S94 WeakPolarHBondContact OD1-CB 3.34Å; N43-S94 PolarHBondContact OD1-OG 3.19Å |
| 44 | C | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 126.3 | 173.7 | 171.8 | 0 | 0 | 0 | 0 | 109.3 | E26 Q27 W56 Y92 V93 C110 | E26-C44 WeakPolarHBondContact O-CA 2.99Å; Q27-C44 HydrophobicContact CG-CB 3.96Å; C44-W56 HydrophobicContact CB-CH2 3.87Å; C44-W56 HydrophobicContact CB-CZ2 3.78Å; C44-Y92 CarbonylContact O-C 3.56Å; C44-Y92 VanDerWaalsContact O-CA 3.27Å; C44-Y92 WeakPolarHBondContact O-CA 3.14Å; C44-V93 WeakPolarHBondContact CA-O 3.37Å; C44-V93 HydrophobicContact CB-CG1 3.89Å; C44-V93 WeakPolarHBondContact CB-O 3.47Å; C44-V93 PolarHBondContact N-O 3.05Å; C44-V93 PolarHBondContact O-N 3.44Å; C44-V93 VanDerWaalsContact O-O 3.08Å; C44-C110 HydrophobicContact CB-CB 3.45Å; C44-C110 VanDerWaalsContact CB-CB 3.45Å; C44-C110 WeakPolarHBondContact CB-SG 3.34Å; C44-C110 WeakPolarHBondContact SG-CB 3.39Å; C44-C110 CovalentContact SG-SG 2.03Å; C44-C110 PolarHBondContact SG-SG 2.76Å |
| 45 | T | 97.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 36% | 0.362 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 159.4 | 171.2 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | V25 E26 Q91 | V25-T45 CarbonylContact C-O 3.59Å; V25-T45 VanDerWaalsContact CA-O 3.22Å; V25-T45 WeakPolarHBondContact CA-O 3.22Å; E26-T45 WeakPolarHBondContact CB-OG1 3.26Å; E26-T45 PolarHBondContact N-O 3.01Å; E26-T45 PolarHBondContact O-N 3.38Å; E26-T45 PolarHBondContact O-OG1 3.44Å; T45-Q91 VanDerWaalsContact CA-O 3.32Å; T45-Q91 WeakPolarHBondContact CA-O 3.27Å |
| 46 | Y | 95.7 | Very high | 96.4 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.6 | -179.1 | 63.2 | -87.8 | 0 | 0 | 0 | 112 | E24 D48 F54 L86 K88 Q91 V112 | E24-Y46 WeakPolarHBondContact O-CA 3.45Å; Y46-D48 VanDerWaalsContact CD2-O 3.28Å; Y46-D48 WeakPolarHBondContact CD2-O 3.33Å; Y46-D48 WeakPolarHBondContact CE2-O 3.27Å; Y46-F54 HydrophobicContact CD1-CD1 4.27Å; Y46-F54 AromaticContact CD1-CE1 3.58Å; Y46-F54 HydrophobicContact CD1-CE1 3.58Å; Y46-F54 HydrophobicContact CD2-CE1 4.15Å; Y46-F54 HydrophobicContact CE1-CD1 4.17Å; Y46-F54 AromaticContact CE1-CE1 3.29Å; Y46-F54 HydrophobicContact CE1-CE1 3.29Å; Y46-F54 AromaticContact CE1-CZ 3.87Å; Y46-F54 HydrophobicContact CE1-CZ 3.87Å; Y46-F54 AromaticContact CE2-CE1 3.9Å; Y46-F54 HydrophobicContact CE2-CE1 3.9Å; Y46-F54 HydrophobicContact CE2-CZ 4.02Å; Y46-F54 AromaticContact CG-CE1 4Å; Y46-F54 HydrophobicContact CG-CE1 4Å; Y46-F54 AromaticContact CZ-CE1 3.46Å; Y46-F54 VanDerWaalsContact CZ-CE1 3.46Å; Y46-F54 AromaticContact CZ-CZ 3.58Å; Y46-L86 HydrophobicContact CE1-CD1 4.44Å; Y46-K88 WeakPolarHBondContact OH-CA 3.46Å; Y46-Q91 VanDerWaalsContact CD1-C 3.49Å; Y46-Q91 HydrophobicContact CD1-CB 4.36Å; Y46-Q91 WeakPolarHBondContact CD1-O 3.3Å; Y46-Q91 HydrophobicContact CD2-CB 4.38Å; Y46-Q91 VanDerWaalsContact CE1-CA 3.43Å; Y46-Q91 HydrophobicContact CE1-CB 4.08Å; Y46-Q91 WeakPolarHBondContact CE1-O 3.43Å; Y46-Q91 HydrophobicContact CE2-CB 4.09Å; Y46-Q91 HydrophobicContact CE2-CG 4.14Å; Y46-Q91 PolarHBondContact N-O 3.04Å; Y46-Q91 WeakPolarHBondContact O-CB 3.4Å; Y46-Q91 PolarHBondContact O-NE2 3.49Å; Y46-V112 HydrophobicContact CG-CG1 4.29Å |
| 47 | S | 93.5 | Very high | 96.4 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 48% | 0.483 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -84.9 | -36.2 | -174.3 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | E24 R49 Q91 | E24-S47 PolarHBondContact N-OG 3.16Å; E24-S47 PolarHBondContact O-N 3.48Å; E24-S47 PolarHBondContact O-OG 3.31Å; S47-R49 PolarHBondContact O-N 3.24Å; S47-Q91 PolarHBondContact O-NE2 3.31Å |
| 48 | D | 92.4 | Very high | 96.4 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | trans | -83.3 | 104.4 | -175.6 | 176.6 | 21.3 | 0 | 0 | 0 | 112.8 | K23 Y46 G50 S51 | K23-D48 HydrophobicContact CD-CB 4.4Å; K23-D48 WeakPolarHBondContact CD-OD2 3.41Å; K23-D48 WeakPolarHBondContact CE-OD2 3.34Å; K23-D48 HydrophobicContact CG-CB 4.22Å; K23-D48 IonicContact NZ-OD2 2.74Å; K23-D48 PolarHBondContact NZ-OD2 3.38Å; Y46-D48 VanDerWaalsContact CD2-O 3.28Å; Y46-D48 WeakPolarHBondContact CD2-O 3.33Å; Y46-D48 WeakPolarHBondContact CE2-O 3.27Å; D48-G50 PolarHBondContact O-N 3.21Å; D48-G50 WeakPolarHBondContact OD1-CA 3.46Å; D48-G50 PolarHBondContact OD1-N 3.44Å; D48-S51 VanDerWaalsContact O-CB 3.26Å; D48-S51 WeakPolarHBondContact O-CB 3.35Å; D48-S51 PolarHBondContact O-N 3.16Å; D48-S51 VanDerWaalsContact O-N 3.08Å; D48-S51 PolarHBondContact O-OG 3.5Å; D48-S51 PolarHBondContact OD2-OG 3.46Å | ||
| 49 | R | 91.9 | Very high | 96.4 | Very high | 200 Ų | 200 | 51.4 Ų | 51.4 | 76% | 0.755 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.2 | 174 | -69.6 | -176.7 | -178.8 | 163.5 | 1.5 | 114.3 | S47 S51 Q91 | S47-R49 PolarHBondContact O-N 3.24Å; R49-S51 VanDerWaalsContact C-N 3.26Å; R49-Q91 VanDerWaalsContact CG-CD 3.48Å; R49-Q91 HydrophobicContact CG-CG 4.2Å |
| 50 | G | 92.6 | Very high | 96.4 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -15.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D48 Q52 | D48-G50 PolarHBondContact O-N 3.21Å; D48-G50 WeakPolarHBondContact OD1-CA 3.46Å; D48-G50 PolarHBondContact OD1-N 3.44Å; G50-Q52 WeakPolarHBondContact O-CG 3.48Å; G50-Q52 PolarHBondContact O-N 3.44Å; G50-Q52 PolarHBondContact O-NE2 2.84Å |
| 51 | S | 94 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -58.6 | 132.8 | -179.6 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | D48 R49 | D48-S51 VanDerWaalsContact O-CB 3.26Å; D48-S51 WeakPolarHBondContact O-CB 3.35Å; D48-S51 PolarHBondContact O-N 3.16Å; D48-S51 VanDerWaalsContact O-N 3.08Å; D48-S51 PolarHBondContact O-OG 3.5Å; D48-S51 PolarHBondContact OD2-OG 3.46Å; R49-S51 VanDerWaalsContact C-N 3.26Å | ||
| 52 | Q | 94.7 | Very high | 96.3 | Very high | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | trans | -118.9 | -23.5 | -176.2 | -60.6 | -54.3 | -29.4 | 0 | 0 | 113.4 | G50 Y72 N113 | G50-Q52 WeakPolarHBondContact O-CG 3.48Å; G50-Q52 PolarHBondContact O-N 3.44Å; G50-Q52 PolarHBondContact O-NE2 2.84Å; Q52-Y72 VanDerWaalsContact O-CA 3.25Å; Q52-Y72 WeakPolarHBondContact O-CA 3.43Å; Q52-Y72 VanDerWaalsContact O-CB 3.22Å; Q52-Y72 WeakPolarHBondContact O-CB 3.02Å; Q52-N113 PolarHBondContact N-O 3.04Å | ||
| 53 | S | 96.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | trans | -120.1 | 127.4 | -172.9 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | V112 N113 | S53-V112 CarbonylContact O-C 3.58Å; S53-V112 VanDerWaalsContact O-CA 3.31Å; S53-V112 WeakPolarHBondContact O-CA 3.45Å; S53-N113 PolarHBondContact N-O 2.95Å; S53-N113 PolarHBondContact O-N 3.49Å | ||
| 54 | F | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.3 | -175 | -55 | -96.5 | 0 | 0 | 0 | 109.1 | Y46 F70 I71 L86 V93 A111 V112 | Y46-F54 HydrophobicContact CD1-CD1 4.27Å; Y46-F54 AromaticContact CD1-CE1 3.58Å; Y46-F54 HydrophobicContact CD1-CE1 3.58Å; Y46-F54 HydrophobicContact CD2-CE1 4.15Å; Y46-F54 HydrophobicContact CE1-CD1 4.17Å; Y46-F54 AromaticContact CE1-CE1 3.29Å; Y46-F54 HydrophobicContact CE1-CE1 3.29Å; Y46-F54 AromaticContact CE1-CZ 3.87Å; Y46-F54 HydrophobicContact CE1-CZ 3.87Å; Y46-F54 AromaticContact CE2-CE1 3.9Å; Y46-F54 HydrophobicContact CE2-CE1 3.9Å; Y46-F54 HydrophobicContact CE2-CZ 4.02Å; Y46-F54 AromaticContact CG-CE1 4Å; Y46-F54 HydrophobicContact CG-CE1 4Å; Y46-F54 AromaticContact CZ-CE1 3.46Å; Y46-F54 VanDerWaalsContact CZ-CE1 3.46Å; Y46-F54 AromaticContact CZ-CZ 3.58Å; F54-F70 WeakPolarHBondContact O-CA 3.42Å; F54-I71 HydrophobicContact CB-CG2 3.8Å; F54-I71 PolarHBondContact N-O 2.97Å; F54-I71 PolarHBondContact O-N 3.19Å; F54-L86 HydrophobicContact CD1-CD1 3.98Å; F54-L86 HydrophobicContact CD2-CD1 3.72Å; F54-L86 HydrophobicContact CD2-CD2 3.45Å; F54-L86 VanDerWaalsContact CD2-CD2 3.45Å; F54-L86 HydrophobicContact CD2-CG 4.24Å; F54-L86 HydrophobicContact CE1-CD1 3.95Å; F54-L86 HydrophobicContact CE2-CD1 3.65Å; F54-L86 HydrophobicContact CE2-CD2 3.54Å; F54-L86 HydrophobicContact CE2-CG 4.26Å; F54-L86 HydrophobicContact CG-CD1 3.91Å; F54-L86 HydrophobicContact CG-CD2 4.3Å; F54-L86 HydrophobicContact CZ-CD1 3.78Å; F54-L86 HydrophobicContact CZ-CD2 4.46Å; F54-V93 HydrophobicContact CB-CB 4.39Å; F54-V93 HydrophobicContact CB-CG1 4.42Å; F54-V93 HydrophobicContact CB-CG2 4.01Å; F54-V93 HydrophobicContact CD1-CB 4.1Å; F54-V93 HydrophobicContact CD1-CG1 3.98Å; F54-V93 HydrophobicContact CG-CB 4.45Å; F54-V93 HydrophobicContact CG-CG2 4.49Å; F54-A111 WeakPolarHBondContact CA-O 3.42Å; F54-V112 HydrophobicContact CD1-CB 4.3Å; F54-V112 HydrophobicContact CD1-CG1 3.45Å; F54-V112 VanDerWaalsContact CD1-CG1 3.45Å; F54-V112 HydrophobicContact CE1-CB 4.34Å; F54-V112 HydrophobicContact CE1-CG1 3.69Å; F54-V112 HydrophobicContact CG-CG1 4.46Å |
| 55 | F | 98.2 | Very high | 96.3 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.5 | -171.6 | -52.2 | -90.8 | 0 | 0 | 0 | 109.7 | Y57 L67 M69 F70 C110 A111 N113 | F55-Y57 HydrophobicContact CB-CD2 4.28Å; F55-Y57 HydrophobicContact CB-CE2 3.56Å; F55-Y57 HydrophobicContact CG-CE2 4.41Å; F55-L67 HydrophobicContact CB-CD1 3.95Å; F55-L67 HydrophobicContact CD1-CD1 3.85Å; F55-L67 HydrophobicContact CG-CD1 4.39Å; F55-M69 WeakPolarHBondContact CA-O 3.13Å; F55-F70 HydrophobicContact CD1-CB 4.29Å; F55-F70 AromaticContact CD1-CD2 3.64Å; F55-F70 HydrophobicContact CD1-CD2 3.64Å; F55-F70 HydrophobicContact CD1-CE2 4.47Å; F55-F70 HydrophobicContact CD1-CG 4.37Å; F55-F70 AromaticContact CE1-CD2 3.29Å; F55-F70 HydrophobicContact CE1-CD2 3.29Å; F55-F70 AromaticContact CE1-CE2 3.76Å; F55-F70 HydrophobicContact CE1-CE2 3.76Å; F55-F70 HydrophobicContact CE1-CG 4.18Å; F55-F70 HydrophobicContact CG-CD2 4.47Å; F55-F70 AromaticContact CZ-CD2 3.88Å; F55-F70 HydrophobicContact CZ-CD2 3.88Å; F55-F70 AromaticContact CZ-CE2 3.91Å; F55-F70 HydrophobicContact CZ-CE2 3.91Å; F55-C110 CarbonylContact O-C 3.55Å; F55-C110 VanDerWaalsContact O-CA 3.3Å; F55-C110 WeakPolarHBondContact O-CA 3.25Å; F55-A111 HydrophobicContact CB-CB 4.34Å; F55-A111 HydrophobicContact CD2-CB 4.45Å; F55-A111 PolarHBondContact N-O 2.84Å; F55-A111 PolarHBondContact O-N 2.88Å; F55-N113 HydrophobicContact CE2-CB 4.14Å |
| 56 | W | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.2 | 164 | -74.5 | 95.5 | 0 | 0 | 0 | 109.7 | L42 C44 I68 M69 V93 L95 L109 C110 | L42-W56 HydrophobicContact CB-CH2 3.74Å; L42-W56 HydrophobicContact CB-CZ2 4.49Å; L42-W56 HydrophobicContact CB-CZ3 3.99Å; C44-W56 HydrophobicContact CB-CH2 3.87Å; C44-W56 HydrophobicContact CB-CZ2 3.78Å; W56-I68 HydrophobicContact CB-CD1 4.38Å; W56-I68 HydrophobicContact CB-CG1 4.06Å; W56-I68 WeakPolarHBondContact O-CG1 3.19Å; W56-I68 PolarHBondContact O-N 3.34Å; W56-M69 HydrophobicContact CB-CB 4.1Å; W56-M69 PolarHBondContact N-O 2.88Å; W56-M69 PolarHBondContact O-N 2.92Å; W56-V93 WeakPolarHBondContact CZ2-O 3.34Å; W56-L95 HydrophobicContact CB-CD2 4.17Å; W56-L95 HydrophobicContact CD2-CB 3.62Å; W56-L95 HydrophobicContact CD2-CD2 4.05Å; W56-L95 HydrophobicContact CD2-CG 4.36Å; W56-L95 VanDerWaalsContact CE2-CB 3.48Å; W56-L95 HydrophobicContact CE3-CB 4.11Å; W56-L95 HydrophobicContact CE3-CD2 4.08Å; W56-L95 HydrophobicContact CG-CB 3.94Å; W56-L95 HydrophobicContact CG-CD1 4.3Å; W56-L95 HydrophobicContact CG-CD2 4.11Å; W56-L95 HydrophobicContact CG-CG 4.36Å; W56-L95 HydrophobicContact CH2-CB 4.32Å; W56-L95 HydrophobicContact CZ2-CB 3.86Å; W56-L95 HydrophobicContact CZ3-CB 4.43Å; W56-L109 WeakPolarHBondContact CA-O 3.36Å; W56-C110 HydrophobicContact CD2-CB 4.19Å; W56-C110 HydrophobicContact CE3-CB 4.08Å; W56-C110 HydrophobicContact CH2-CB 4.01Å; W56-C110 HydrophobicContact CZ2-CB 4.11Å; W56-C110 HydrophobicContact CZ3-CB 4Å |
| 57 | Y | 98.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 145.9 | 174.6 | -61.2 | -96.3 | 0 | 0 | 0 | 110.2 | F55 P65 E66 L67 Y108 L109 A111 | F55-Y57 HydrophobicContact CB-CD2 4.28Å; F55-Y57 HydrophobicContact CB-CE2 3.56Å; F55-Y57 HydrophobicContact CG-CE2 4.41Å; Y57-P65 HydrophobicContact CD1-CB 4.18Å; Y57-P65 HydrophobicContact CG-CB 4.35Å; Y57-E66 CarbonylContact C-O 3.53Å; Y57-E66 WeakPolarHBondContact CA-O 3.49Å; Y57-L67 HydrophobicContact CD1-CB 4.08Å; Y57-L67 HydrophobicContact CD1-CD1 4.41Å; Y57-L67 HydrophobicContact CE1-CB 3.84Å; Y57-L67 HydrophobicContact CE1-CD1 4Å; Y57-L67 HydrophobicContact CE2-CD1 4.38Å; Y57-Y108 CarbonylContact O-C 3.55Å; Y57-Y108 VanDerWaalsContact O-CA 3.3Å; Y57-Y108 WeakPolarHBondContact O-CA 3.22Å; Y57-L109 PolarHBondContact N-O 3.12Å; Y57-L109 PolarHBondContact O-N 2.79Å; Y57-A111 HydrophobicContact CE2-CB 4.07Å |
| 58 | R | 98 | Very high | 96.7 | Very high | 40 Ų | 40 | 68.3 Ų | 68.3 | 15% | 0.151 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.8 | 168.6 | -178.1 | -178.5 | 60.1 | -166 | -5.3 | 109.1 | Y60 E66 I68 A106 Y108 | R58-Y60 PolarHBondContact NE-OH 2.8Å; R58-Y60 PolarHBondContact NH1-OH 2.88Å; R58-Y60 VanDerWaalsContact NH1-OH 3.09Å; R58-E66 IonicContact CZ-OE2 3.39Å; R58-E66 PolarHBondContact N-O 2.82Å; R58-E66 IonicContact NE-OE2 3.12Å; R58-E66 IonicContact NH2-OE2 2.74Å; R58-E66 PolarHBondContact NH2-OE2 2.85Å; R58-E66 PolarHBondContact O-N 2.88Å; R58-I68 HydrophobicContact CB-CD1 4.15Å; R58-I68 HydrophobicContact CB-CG1 4.4Å; R58-I68 HydrophobicContact CB-CG2 3.66Å; R58-A106 HydrophobicContact CG-CB 3.62Å; R58-Y108 HydrophobicContact CB-CD1 4.24Å; R58-Y108 HydrophobicContact CB-CE1 3.97Å; R58-Y108 HydrophobicContact CG-CD1 4.44Å; R58-Y108 HydrophobicContact CG-CE1 3.88Å |
| 59 | Q | 98.3 | Very high | 97 | Very high | 61 Ų | 61 | 66 Ų | 66 | 29% | 0.285 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 108.7 | 177.7 | -173.1 | -179.9 | 23.6 | 0 | 0 | 110.1 | K63 P65 T107 | Q59-K63 VanDerWaalsContact CG-O 3.27Å; Q59-K63 WeakPolarHBondContact CG-O 3.25Å; Q59-K63 PolarHBondContact NE2-O 3.46Å; Q59-P65 HydrophobicContact CB-CB 4.44Å; Q59-P65 HydrophobicContact CB-CG 4.37Å; Q59-P65 HydrophobicContact CG-CG 4.28Å; Q59-T107 PolarHBondContact N-O 3.41Å; Q59-T107 PolarHBondContact O-N 2.83Å |
| 60 | Y | 97.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | trans | -71.1 | 150.9 | 167.4 | -64.3 | -65.7 | 0 | 0 | 0 | 110.6 | R58 G62 K63 S103 A106 | R58-Y60 PolarHBondContact NE-OH 2.8Å; R58-Y60 PolarHBondContact NH1-OH 2.88Å; R58-Y60 VanDerWaalsContact NH1-OH 3.09Å; Y60-G62 PolarHBondContact O-N 2.94Å; Y60-K63 WeakPolarHBondContact O-CB 3.46Å; Y60-K63 PolarHBondContact O-N 2.83Å; Y60-S103 WeakPolarHBondContact CE1-O 3.05Å; Y60-S103 PolarHBondContact OH-O 2.87Å; Y60-A106 HydrophobicContact CD1-CB 3.86Å; Y60-A106 HydrophobicContact CE1-CB 4.04Å | ||
| 61 | S | 95.8 | Very high | 97.6 | Very high | 126 Ų | 126 | 57.9 Ų | 57.9 | 88% | 0.881 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 128.7 | 179.2 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | K63 | S61-K63 PolarHBondContact O-N 2.9Š|
| 62 | G | 97.1 | Very high | 97.7 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 85% | 0.845 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 9.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y60 | Y60-G62 PolarHBondContact O-N 2.94Š|
| 63 | K | 98 | Very high | 97.8 | Very high | 141 Ų | 141 | 62.6 Ų | 62.6 | 61% | 0.613 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -111.5 | 163.1 | 176.1 | -56.8 | -60.7 | -176.8 | -179.6 | 0 | 111.3 | Q59 Y60 S61 | Q59-K63 VanDerWaalsContact CG-O 3.27Å; Q59-K63 WeakPolarHBondContact CG-O 3.25Å; Q59-K63 PolarHBondContact NE2-O 3.46Å; Y60-K63 WeakPolarHBondContact O-CB 3.46Å; Y60-K63 PolarHBondContact O-N 2.83Å; S61-K63 PolarHBondContact O-N 2.9Å |
| 64 | S | 98 | Very high | 97.9 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | trans | -73 | 152.5 | 169.8 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 65 | P | 98.2 | Very high | 97.9 | Very high | 61 Ų | 61 | 67.3 Ų | 67.3 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | trans | -59.1 | 137.4 | 170.3 | -22.3 | 33.4 | 0 | 0 | 0 | 112 | Y57 Q59 L109 | Y57-P65 HydrophobicContact CD1-CB 4.18Å; Y57-P65 HydrophobicContact CG-CB 4.35Å; Q59-P65 HydrophobicContact CB-CB 4.44Å; Q59-P65 HydrophobicContact CB-CG 4.37Å; Q59-P65 HydrophobicContact CG-CG 4.28Å; P65-L109 HydrophobicContact CB-CD1 4.44Å; P65-L109 HydrophobicContact CG-CD1 4.1Å | ||
| 66 | E | 98.3 | Very high | 97.9 | Very high | 99 Ų | 99 | 70 Ų | 70 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.8 | 175.9 | 177.2 | -175.3 | -152.3 | 0 | 0 | 109 | Y57 R58 I68 | Y57-E66 CarbonylContact C-O 3.53Å; Y57-E66 WeakPolarHBondContact CA-O 3.49Å; R58-E66 IonicContact CZ-OE2 3.39Å; R58-E66 PolarHBondContact N-O 2.82Å; R58-E66 IonicContact NE-OE2 3.12Å; R58-E66 IonicContact NH2-OE2 2.74Å; R58-E66 PolarHBondContact NH2-OE2 2.85Å; R58-E66 PolarHBondContact O-N 2.88Å; E66-I68 PolarHBondContact O-N 2.81Å |
| 67 | L | 98.3 | Very high | 97.9 | Very high | 86 Ų | 86 | 74.1 Ų | 74.1 | 45% | 0.45 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 122.3 | 174.9 | 179.2 | 68.1 | 0 | 0 | 0 | 109.4 | F55 Y57 M69 | F55-L67 HydrophobicContact CB-CD1 3.95Å; F55-L67 HydrophobicContact CD1-CD1 3.85Å; F55-L67 HydrophobicContact CG-CD1 4.39Å; Y57-L67 HydrophobicContact CD1-CB 4.08Å; Y57-L67 HydrophobicContact CD1-CD1 4.41Å; Y57-L67 HydrophobicContact CE1-CB 3.84Å; Y57-L67 HydrophobicContact CE1-CD1 4Å; Y57-L67 HydrophobicContact CE2-CD1 4.38Å; L67-M69 WeakPolarHBondContact CD1-O 3.27Å |
| 68 | I | 98.1 | Very high | 97.9 | Very high | 22 Ų | 22 | 77 Ų | 77 | 11% | 0.113 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -29.8 | 178.6 | 58.1 | 159.8 | 0 | 0 | 0 | 113 | W56 R58 E66 F82 L95 Y108 | W56-I68 HydrophobicContact CB-CD1 4.38Å; W56-I68 HydrophobicContact CB-CG1 4.06Å; W56-I68 WeakPolarHBondContact O-CG1 3.19Å; W56-I68 PolarHBondContact O-N 3.34Å; R58-I68 HydrophobicContact CB-CD1 4.15Å; R58-I68 HydrophobicContact CB-CG1 4.4Å; R58-I68 HydrophobicContact CB-CG2 3.66Å; E66-I68 PolarHBondContact O-N 2.81Å; I68-F82 HydrophobicContact CD1-CD1 4.11Å; I68-F82 HydrophobicContact CD1-CE1 3.99Å; I68-L95 HydrophobicContact CD1-CD2 3.64Å; I68-Y108 HydrophobicContact CD1-CD1 3.82Å; I68-Y108 HydrophobicContact CD1-CE1 3.69Å |
| 69 | M | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.02 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.2 | 176.5 | -64.3 | -67.1 | -78.4 | 0 | 0 | 111.1 | F55 W56 L67 K77 D79 F82 A84 L95 | F55-M69 WeakPolarHBondContact CA-O 3.13Å; W56-M69 HydrophobicContact CB-CB 4.1Å; W56-M69 PolarHBondContact N-O 2.88Å; W56-M69 PolarHBondContact O-N 2.92Å; L67-M69 WeakPolarHBondContact CD1-O 3.27Å; M69-K77 HydrophobicContact CE-CB 4.49Å; M69-K77 HydrophobicContact CE-CG 4.36Å; M69-K77 WeakPolarHBondContact CE-O 3.3Å; M69-D79 HydrophobicContact CE-CB 4.31Å; M69-D79 HydrophobicContact SD-CB 3.76Å; M69-F82 HydrophobicContact CE-CB 4.42Å; M69-F82 HydrophobicContact CG-CB 4.03Å; M69-F82 HydrophobicContact SD-CB 3.76Å; M69-A84 HydrophobicContact CB-CB 4.24Å; M69-A84 HydrophobicContact CE-CB 3.62Å; M69-A84 HydrophobicContact CG-CB 4.48Å; M69-L95 HydrophobicContact CB-CD1 4.45Å; M69-L95 HydrophobicContact CG-CD1 3.67Å |
| 70 | F | 98.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 79.9 Ų | 79.9 | 29% | 0.289 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.6 | 169 | 164.9 | -113.1 | 0 | 0 | 0 | 108.9 | F54 F55 Y72 K77 | F54-F70 WeakPolarHBondContact O-CA 3.42Å; F55-F70 HydrophobicContact CD1-CB 4.29Å; F55-F70 AromaticContact CD1-CD2 3.64Å; F55-F70 HydrophobicContact CD1-CD2 3.64Å; F55-F70 HydrophobicContact CD1-CE2 4.47Å; F55-F70 HydrophobicContact CD1-CG 4.37Å; F55-F70 AromaticContact CE1-CD2 3.29Å; F55-F70 HydrophobicContact CE1-CD2 3.29Å; F55-F70 AromaticContact CE1-CE2 3.76Å; F55-F70 HydrophobicContact CE1-CE2 3.76Å; F55-F70 HydrophobicContact CE1-CG 4.18Å; F55-F70 HydrophobicContact CG-CD2 4.47Å; F55-F70 AromaticContact CZ-CD2 3.88Å; F55-F70 HydrophobicContact CZ-CD2 3.88Å; F55-F70 AromaticContact CZ-CE2 3.91Å; F55-F70 HydrophobicContact CZ-CE2 3.91Å; F70-Y72 HydrophobicContact CD1-CD1 4.47Å; F70-Y72 AromaticContact CE1-CD1 3.56Å; F70-Y72 HydrophobicContact CE1-CD1 3.56Å; F70-Y72 HydrophobicContact CE1-CE1 4.15Å; F70-Y72 AromaticContact CZ-CD1 3.69Å; F70-Y72 HydrophobicContact CZ-CD1 3.69Å; F70-Y72 HydrophobicContact CZ-CG 4.26Å; F70-K77 WeakPolarHBondContact O-CD 3.28Å; F70-K77 WeakPolarHBondContact O-CE 3.39Å; F70-K77 PolarHBondContact O-NZ 3.06Å |
| 71 | I | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.026 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.2 | 177.5 | -170.7 | 168.6 | 0 | 0 | 0 | 110.2 | F54 S73 G75 K77 A84 L86 V93 | F54-I71 HydrophobicContact CB-CG2 3.8Å; F54-I71 PolarHBondContact N-O 2.97Å; F54-I71 PolarHBondContact O-N 3.19Å; I71-S73 WeakPolarHBondContact CG1-O 3.2Å; I71-G75 WeakPolarHBondContact CD1-O 3.49Å; I71-K77 HydrophobicContact CD1-CB 3.78Å; I71-K77 HydrophobicContact CG1-CB 4.18Å; I71-A84 HydrophobicContact CB-CB 4.22Å; I71-A84 HydrophobicContact CD1-CB 4.2Å; I71-A84 WeakPolarHBondContact CD1-O 3.37Å; I71-A84 HydrophobicContact CG2-CB 4.02Å; I71-L86 HydrophobicContact CD1-CB 3.75Å; I71-L86 HydrophobicContact CG1-CB 4.16Å; I71-L86 HydrophobicContact CG1-CD2 4.38Å; I71-L86 HydrophobicContact CG2-CB 4.23Å; I71-V93 HydrophobicContact CG2-CG2 4.02Å |
| 72 | Y | 97.3 | Very high | 98 | Very high | 135 Ų | 135 | 73.9 Ų | 73.9 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | trans | -139.4 | -28.9 | 179 | 65.7 | -88.3 | 0 | 0 | 0 | 112.7 | Q52 F70 K88 | Q52-Y72 VanDerWaalsContact O-CA 3.25Å; Q52-Y72 WeakPolarHBondContact O-CA 3.43Å; Q52-Y72 VanDerWaalsContact O-CB 3.22Å; Q52-Y72 WeakPolarHBondContact O-CB 3.02Å; F70-Y72 HydrophobicContact CD1-CD1 4.47Å; F70-Y72 AromaticContact CE1-CD1 3.56Å; F70-Y72 HydrophobicContact CE1-CD1 3.56Å; F70-Y72 HydrophobicContact CE1-CE1 4.15Å; F70-Y72 AromaticContact CZ-CD1 3.69Å; F70-Y72 HydrophobicContact CZ-CD1 3.69Å; F70-Y72 HydrophobicContact CZ-CG 4.26Å; Y72-K88 WeakPolarHBondContact O-CE 3.36Å; Y72-K88 PolarHBondContact O-NZ 3.34Å | ||
| 73 | S | 96.8 | Very high | 98 | Very high | 66 Ų | 66 | 70.3 Ų | 70.3 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -79.3 | 138 | 172.5 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | I71 | I71-S73 WeakPolarHBondContact CG1-O 3.2Š|
| 74 | N | 97.5 | Very high | 98.1 | Very high | 102 Ų | 102 | 63.6 Ų | 63.6 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -63 | 143.3 | 173 | -166.4 | 82.4 | 0 | 0 | 0 | 110.6 | L86 N87 K88 | N74-L86 PolarHBondContact OD1-O 3.28Å; N74-N87 WeakPolarHBondContact OD1-CA 3.49Å; N74-K88 PolarHBondContact OD1-N 3.19Å |
| 75 | G | 98.1 | Very high | 98.1 | Very high | 25 Ų | 25 | 61.4 Ų | 61.4 | 26% | 0.258 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.9 | -152.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112 | I71 L86 | I71-G75 WeakPolarHBondContact CD1-O 3.49Å; G75-L86 PolarHBondContact N-O 3.35Å; G75-L86 PolarHBondContact O-N 3.18Å |
| 76 | D | 98.3 | Very high | 98.1 | Very high | 101 Ų | 101 | 58.7 Ų | 58.7 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.9 | -169.2 | -66.1 | 3.3 | 0 | 0 | 0 | 111 | T83 A84 Q85 | D76-T83 HydrophobicContact CB-CG2 4.2Å; D76-A84 CarbonylContact C-O 3.49Å; D76-A84 WeakPolarHBondContact CA-O 3.42Å; D76-Q85 WeakPolarHBondContact OD1-CB 3.39Å; D76-Q85 WeakPolarHBondContact OD1-CG 3.49Å; D76-Q85 PolarHBondContact OD1-NE2 3.47Å; D76-Q85 PolarHBondContact OD2-NE2 3.31Å |
| 77 | K | 98.5 | Very high | 98.1 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.7 | 169.3 | -177.5 | -173.6 | 172.5 | -179.4 | 0 | 109.1 | M69 F70 I71 T83 A84 | M69-K77 HydrophobicContact CE-CB 4.49Å; M69-K77 HydrophobicContact CE-CG 4.36Å; M69-K77 WeakPolarHBondContact CE-O 3.3Å; F70-K77 WeakPolarHBondContact O-CD 3.28Å; F70-K77 WeakPolarHBondContact O-CE 3.39Å; F70-K77 PolarHBondContact O-NZ 3.06Å; I71-K77 HydrophobicContact CD1-CB 3.78Å; I71-K77 HydrophobicContact CG1-CB 4.18Å; K77-T83 CarbonylContact O-C 3.5Å; K77-T83 WeakPolarHBondContact O-CA 3.35Å; K77-A84 PolarHBondContact N-O 3.06Å; K77-A84 PolarHBondContact O-N 3.02Å |
| 78 | E | 98.2 | Very high | 98 | Very high | 133 Ų | 133 | 54.8 Ų | 54.8 | 62% | 0.621 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.5 | 177.3 | -61.1 | -169.1 | 168.3 | 0 | 0 | 111.5 | F82 T83 | E78-F82 WeakPolarHBondContact CA-O 3.39Å; E78-T83 HydrophobicContact CG-CG2 4.02Å |
| 79 | D | 97.8 | Very high | 97.9 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 107.2 | 166.7 | -170.5 | -0.1 | 0 | 0 | 0 | 109.6 | M69 R81 F82 | M69-D79 HydrophobicContact CE-CB 4.31Å; M69-D79 HydrophobicContact SD-CB 3.76Å; D79-R81 PolarHBondContact O-N 2.89Å; D79-R81 VanDerWaalsContact O-N 3.12Å; D79-F82 PolarHBondContact N-O 2.87Å; D79-F82 WeakPolarHBondContact O-CB 3.49Å; D79-F82 PolarHBondContact O-N 2.93Å |
| 80 | G | 97.4 | Very high | 97.8 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -114.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R98 | G80-R98 PolarHBondContact O-NH2 2.95Š|
| 81 | R | 97.9 | Very high | 97.7 | Very high | 51 Ų | 51 | 60 Ų | 60 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -7 | 176.8 | -65.2 | -166.6 | -63.3 | 112.7 | 7.5 | 113.3 | D79 R98 D99 D104 | D79-R81 PolarHBondContact O-N 2.89Å; D79-R81 VanDerWaalsContact O-N 3.12Å; R81-R98 WeakPolarHBondContact CD-O 3.31Å; R81-R98 PolarHBondContact NH1-O 3.5Å; R81-R98 PolarHBondContact O-N 3.12Å; R81-D99 PolarHBondContact NH1-O 3.4Å; R81-D104 IonicContact CZ-OD1 3.78Å; R81-D104 IonicContact CZ-OD2 3.73Å; R81-D104 IonicContact NH1-OD1 2.85Å; R81-D104 IonicContact NH1-OD2 3.83Å; R81-D104 PolarHBondContact NH1-OD2 3.32Å; R81-D104 VanDerWaalsContact NH2-CG 3.31Å; R81-D104 IonicContact NH2-OD1 3.85Å; R81-D104 PolarHBondContact NH2-OD1 2.81Å; R81-D104 IonicContact NH2-OD2 2.72Å; R81-D104 PolarHBondContact NH2-OD2 2.8Å; R81-D104 VanDerWaalsContact NH2-OD2 3.12Å |
| 82 | F | 98.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 13% | 0.132 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.7 | -177.5 | -58.8 | -79.3 | 0 | 0 | 0 | 111.3 | I68 M69 E78 D79 L95 L96 I97 Y108 | I68-F82 HydrophobicContact CD1-CD1 4.11Å; I68-F82 HydrophobicContact CD1-CE1 3.99Å; M69-F82 HydrophobicContact CE-CB 4.42Å; M69-F82 HydrophobicContact CG-CB 4.03Å; M69-F82 HydrophobicContact SD-CB 3.76Å; E78-F82 WeakPolarHBondContact CA-O 3.39Å; D79-F82 PolarHBondContact N-O 2.87Å; D79-F82 WeakPolarHBondContact O-CB 3.49Å; D79-F82 PolarHBondContact O-N 2.93Å; F82-L95 HydrophobicContact CB-CD1 4.23Å; F82-L95 HydrophobicContact CD1-CD1 4.18Å; F82-L96 CarbonylContact C-O 3.59Å; F82-L96 WeakPolarHBondContact CA-O 3.38Å; F82-I97 HydrophobicContact CD1-CB 4.5Å; F82-I97 HydrophobicContact CD1-CD1 4.38Å; F82-I97 HydrophobicContact CD1-CG1 3.86Å; F82-I97 HydrophobicContact CD1-CG2 4.26Å; F82-I97 HydrophobicContact CE1-CB 4.5Å; F82-I97 HydrophobicContact CE1-CD1 3.94Å; F82-I97 HydrophobicContact CE1-CG1 3.88Å; F82-I97 HydrophobicContact CE1-CG2 3.96Å; F82-Y108 HydrophobicContact CE1-CE1 4.42Å |
| 83 | T | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.043 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.1 | 169.4 | -54.9 | 0 | 0 | 0 | 0 | 109 | D76 K77 E78 Q85 L95 L96 | D76-T83 HydrophobicContact CB-CG2 4.2Å; K77-T83 CarbonylContact O-C 3.5Å; K77-T83 WeakPolarHBondContact O-CA 3.35Å; E78-T83 HydrophobicContact CG-CG2 4.02Å; T83-Q85 HydrophobicContact CG2-CG 4.14Å; T83-L95 CarbonylContact O-C 3.57Å; T83-L95 WeakPolarHBondContact O-CA 3.29Å; T83-L96 PolarHBondContact N-O 3.49Å; T83-L96 PolarHBondContact O-N 2.94Å |
| 84 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | M69 I71 D76 K77 S94 | M69-A84 HydrophobicContact CB-CB 4.24Å; M69-A84 HydrophobicContact CE-CB 3.62Å; M69-A84 HydrophobicContact CG-CB 4.48Å; I71-A84 HydrophobicContact CB-CB 4.22Å; I71-A84 HydrophobicContact CD1-CB 4.2Å; I71-A84 WeakPolarHBondContact CD1-O 3.37Å; I71-A84 HydrophobicContact CG2-CB 4.02Å; D76-A84 CarbonylContact C-O 3.49Å; D76-A84 WeakPolarHBondContact CA-O 3.42Å; K77-A84 PolarHBondContact N-O 3.06Å; K77-A84 PolarHBondContact O-N 3.02Å; A84-S94 CarbonylContact C-O 3.54Å; A84-S94 VanDerWaalsContact CA-O 3.3Å; A84-S94 WeakPolarHBondContact CA-O 3.34Å |
| 85 | Q | 98.5 | Very high | 97.8 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.4 | 177.8 | -55 | -167.8 | -61.9 | 0 | 0 | 109 | D76 T83 V93 S94 L96 | D76-Q85 WeakPolarHBondContact OD1-CB 3.39Å; D76-Q85 WeakPolarHBondContact OD1-CG 3.49Å; D76-Q85 PolarHBondContact OD1-NE2 3.47Å; D76-Q85 PolarHBondContact OD2-NE2 3.31Å; T83-Q85 HydrophobicContact CG2-CG 4.14Å; Q85-V93 CarbonylContact O-C 3.57Å; Q85-V93 VanDerWaalsContact O-CA 3.25Å; Q85-V93 WeakPolarHBondContact O-CA 3.49Å; Q85-S94 PolarHBondContact N-O 3.4Å; Q85-S94 PolarHBondContact O-N 2.89Å; Q85-L96 HydrophobicContact CG-CD1 4.34Å |
| 86 | L | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.8 | 179.3 | 175.2 | 60.2 | 0 | 0 | 0 | 110.5 | Y46 F54 I71 N74 G75 K88 V93 | Y46-L86 HydrophobicContact CE1-CD1 4.44Å; F54-L86 HydrophobicContact CD1-CD1 3.98Å; F54-L86 HydrophobicContact CD2-CD1 3.72Å; F54-L86 HydrophobicContact CD2-CD2 3.45Å; F54-L86 VanDerWaalsContact CD2-CD2 3.45Å; F54-L86 HydrophobicContact CD2-CG 4.24Å; F54-L86 HydrophobicContact CE1-CD1 3.95Å; F54-L86 HydrophobicContact CE2-CD1 3.65Å; F54-L86 HydrophobicContact CE2-CD2 3.54Å; F54-L86 HydrophobicContact CE2-CG 4.26Å; F54-L86 HydrophobicContact CG-CD1 3.91Å; F54-L86 HydrophobicContact CG-CD2 4.3Å; F54-L86 HydrophobicContact CZ-CD1 3.78Å; F54-L86 HydrophobicContact CZ-CD2 4.46Å; I71-L86 HydrophobicContact CD1-CB 3.75Å; I71-L86 HydrophobicContact CG1-CB 4.16Å; I71-L86 HydrophobicContact CG1-CD2 4.38Å; I71-L86 HydrophobicContact CG2-CB 4.23Å; N74-L86 PolarHBondContact OD1-O 3.28Å; G75-L86 PolarHBondContact N-O 3.35Å; G75-L86 PolarHBondContact O-N 3.18Å; L86-K88 HydrophobicContact CD1-CG 4.24Å; L86-K88 HydrophobicContact CD2-CG 4.2Å; L86-K88 HydrophobicContact CG-CG 4.11Å; L86-V93 HydrophobicContact CD1-CB 4.18Å |
| 87 | N | 97.8 | Very high | 97.8 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 102 | 169.3 | -173.9 | -30.3 | 0 | 0 | 0 | 110 | N74 A89 S90 Q91 Y92 | N74-N87 WeakPolarHBondContact OD1-CA 3.49Å; N87-A89 VanDerWaalsContact C-N 3.33Å; N87-A89 PolarHBondContact O-N 3.3Å; N87-A89 WeakPolarHBondContact OD1-CB 3.42Å; N87-A89 PolarHBondContact OD1-N 3.43Å; N87-S90 PolarHBondContact ND2-OG 3.45Å; N87-S90 PolarHBondContact OD1-N 3.12Å; N87-Q91 PolarHBondContact O-N 3.18Å; N87-Y92 HydrophobicContact CB-CD1 3.89Å; N87-Y92 HydrophobicContact CB-CD2 4.5Å; N87-Y92 HydrophobicContact CB-CE1 3.37Å; N87-Y92 HydrophobicContact CB-CE2 4.05Å; N87-Y92 HydrophobicContact CB-CG 4.41Å; N87-Y92 VanDerWaalsContact CB-CZ 3.44Å; N87-Y92 PolarHBondContact N-O 2.92Å; N87-Y92 PolarHBondContact O-N 3.13Å |
| 88 | K | 96.2 | Very high | 97.8 | Very high | 63 Ų | 63 | 45.8 Ų | 45.8 | 27% | 0.274 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -30 | -179.1 | -67 | -170.8 | 177 | -178.3 | 0 | 113.4 | Y46 Y72 N74 L86 | Y46-K88 WeakPolarHBondContact OH-CA 3.46Å; Y72-K88 WeakPolarHBondContact O-CE 3.36Å; Y72-K88 PolarHBondContact O-NZ 3.34Å; N74-K88 PolarHBondContact OD1-N 3.19Å; L86-K88 HydrophobicContact CD1-CG 4.24Å; L86-K88 HydrophobicContact CD2-CG 4.2Å; L86-K88 HydrophobicContact CG-CG 4.11Å |
| 89 | A | 96.1 | Very high | 97.8 | Very high | 92 Ų | 92 | 44.1 Ų | 44.1 | 76% | 0.76 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -39.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N87 | N87-A89 VanDerWaalsContact C-N 3.33Å; N87-A89 PolarHBondContact O-N 3.3Å; N87-A89 WeakPolarHBondContact OD1-CB 3.42Å; N87-A89 PolarHBondContact OD1-N 3.43Å |
| 90 | S | 96.6 | Very high | 97.8 | Very high | 76 Ų | 76 | 39.8 Ų | 39.8 | 53% | 0.531 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -0.1 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | N87 Y92 | N87-S90 PolarHBondContact ND2-OG 3.45Å; N87-S90 PolarHBondContact OD1-N 3.12Å; S90-Y92 VanDerWaalsContact C-N 3.33Å; S90-Y92 VanDerWaalsContact CB-CD1 3.49Å; S90-Y92 PolarHBondContact O-N 3.16Å |
| 91 | Q | 96.6 | Very high | 97.9 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 43.3 | 178.8 | -59.2 | 178.1 | -123 | 0 | 0 | 114.3 | T45 Y46 S47 R49 N87 | T45-Q91 VanDerWaalsContact CA-O 3.32Å; T45-Q91 WeakPolarHBondContact CA-O 3.27Å; Y46-Q91 VanDerWaalsContact CD1-C 3.49Å; Y46-Q91 HydrophobicContact CD1-CB 4.36Å; Y46-Q91 WeakPolarHBondContact CD1-O 3.3Å; Y46-Q91 HydrophobicContact CD2-CB 4.38Å; Y46-Q91 VanDerWaalsContact CE1-CA 3.43Å; Y46-Q91 HydrophobicContact CE1-CB 4.08Å; Y46-Q91 WeakPolarHBondContact CE1-O 3.43Å; Y46-Q91 HydrophobicContact CE2-CB 4.09Å; Y46-Q91 HydrophobicContact CE2-CG 4.14Å; Y46-Q91 PolarHBondContact N-O 3.04Å; Y46-Q91 WeakPolarHBondContact O-CB 3.4Å; Y46-Q91 PolarHBondContact O-NE2 3.49Å; S47-Q91 PolarHBondContact O-NE2 3.31Å; R49-Q91 VanDerWaalsContact CG-CD 3.48Å; R49-Q91 HydrophobicContact CG-CG 4.2Å; N87-Q91 PolarHBondContact O-N 3.18Å |
| 92 | Y | 96.8 | Very high | 97.9 | Very high | 81 Ų | 81 | 42.3 Ų | 42.3 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.6 | 172 | 76.6 | -96.7 | 0 | 0 | 0 | 112.2 | C44 N87 S90 | C44-Y92 CarbonylContact O-C 3.56Å; C44-Y92 VanDerWaalsContact O-CA 3.27Å; C44-Y92 WeakPolarHBondContact O-CA 3.14Å; N87-Y92 HydrophobicContact CB-CD1 3.89Å; N87-Y92 HydrophobicContact CB-CD2 4.5Å; N87-Y92 HydrophobicContact CB-CE1 3.37Å; N87-Y92 HydrophobicContact CB-CE2 4.05Å; N87-Y92 HydrophobicContact CB-CG 4.41Å; N87-Y92 VanDerWaalsContact CB-CZ 3.44Å; N87-Y92 PolarHBondContact N-O 2.92Å; N87-Y92 PolarHBondContact O-N 3.13Å; S90-Y92 VanDerWaalsContact C-N 3.33Å; S90-Y92 VanDerWaalsContact CB-CD1 3.49Å; S90-Y92 PolarHBondContact O-N 3.16Å |
| 93 | V | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.4 | 167.6 | 62.1 | 0 | 0 | 0 | 0 | 108 | C44 F54 W56 I71 Q85 L86 | C44-V93 WeakPolarHBondContact CA-O 3.37Å; C44-V93 HydrophobicContact CB-CG1 3.89Å; C44-V93 WeakPolarHBondContact CB-O 3.47Å; C44-V93 PolarHBondContact N-O 3.05Å; C44-V93 PolarHBondContact O-N 3.44Å; C44-V93 VanDerWaalsContact O-O 3.08Å; F54-V93 HydrophobicContact CB-CB 4.39Å; F54-V93 HydrophobicContact CB-CG1 4.42Å; F54-V93 HydrophobicContact CB-CG2 4.01Å; F54-V93 HydrophobicContact CD1-CB 4.1Å; F54-V93 HydrophobicContact CD1-CG1 3.98Å; F54-V93 HydrophobicContact CG-CB 4.45Å; F54-V93 HydrophobicContact CG-CG2 4.49Å; W56-V93 WeakPolarHBondContact CZ2-O 3.34Å; I71-V93 HydrophobicContact CG2-CG2 4.02Å; Q85-V93 CarbonylContact O-C 3.57Å; Q85-V93 VanDerWaalsContact O-CA 3.25Å; Q85-V93 WeakPolarHBondContact O-CA 3.49Å; L86-V93 HydrophobicContact CD1-CB 4.18Å |
| 94 | S | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 153.2 | 179.4 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | L42 N43 A84 Q85 | L42-S94 CarbonylContact O-C 3.58Å; L42-S94 WeakPolarHBondContact O-CA 3.32Å; L42-S94 WeakPolarHBondContact O-CB 3.39Å; N43-S94 WeakPolarHBondContact OD1-CB 3.34Å; N43-S94 PolarHBondContact OD1-OG 3.19Å; A84-S94 CarbonylContact C-O 3.54Å; A84-S94 VanDerWaalsContact CA-O 3.3Å; A84-S94 WeakPolarHBondContact CA-O 3.34Å; Q85-S94 PolarHBondContact N-O 3.4Å; Q85-S94 PolarHBondContact O-N 2.89Å |
| 95 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.5 | 169.6 | 180 | 71 | 0 | 0 | 0 | 108.7 | L42 W56 I68 M69 F82 T83 I97 Y108 | L42-L95 HydrophobicContact CB-CB 4.31Å; L42-L95 HydrophobicContact CD1-CB 4.46Å; L42-L95 HydrophobicContact CD1-CD2 3.97Å; L42-L95 HydrophobicContact CD1-CG 4.47Å; L42-L95 PolarHBondContact N-O 3.24Å; L42-L95 PolarHBondContact O-N 3.3Å; W56-L95 HydrophobicContact CB-CD2 4.17Å; W56-L95 HydrophobicContact CD2-CB 3.62Å; W56-L95 HydrophobicContact CD2-CD2 4.05Å; W56-L95 HydrophobicContact CD2-CG 4.36Å; W56-L95 VanDerWaalsContact CE2-CB 3.48Å; W56-L95 HydrophobicContact CE3-CB 4.11Å; W56-L95 HydrophobicContact CE3-CD2 4.08Å; W56-L95 HydrophobicContact CG-CB 3.94Å; W56-L95 HydrophobicContact CG-CD1 4.3Å; W56-L95 HydrophobicContact CG-CD2 4.11Å; W56-L95 HydrophobicContact CG-CG 4.36Å; W56-L95 HydrophobicContact CH2-CB 4.32Å; W56-L95 HydrophobicContact CZ2-CB 3.86Å; W56-L95 HydrophobicContact CZ3-CB 4.43Å; I68-L95 HydrophobicContact CD1-CD2 3.64Å; M69-L95 HydrophobicContact CB-CD1 4.45Å; M69-L95 HydrophobicContact CG-CD1 3.67Å; F82-L95 HydrophobicContact CB-CD1 4.23Å; F82-L95 HydrophobicContact CD1-CD1 4.18Å; T83-L95 CarbonylContact O-C 3.57Å; T83-L95 WeakPolarHBondContact O-CA 3.29Å; L95-I97 HydrophobicContact CD2-CG1 4.46Å; L95-I97 HydrophobicContact CG-CG1 4.4Å; L95-Y108 HydrophobicContact CD2-CD1 3.67Å; L95-Y108 HydrophobicContact CD2-CE1 4.1Å |
| 96 | L | 98.4 | Very high | 97.6 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.6 | 170.3 | -51.9 | -179.4 | 0 | 0 | 0 | 109.4 | I39 A40 S41 F82 T83 Q85 | I39-L96 HydrophobicContact CG2-CB 4.2Å; A40-L96 CarbonylContact O-C 3.52Å; A40-L96 VanDerWaalsContact O-CA 3.28Å; A40-L96 WeakPolarHBondContact O-CA 3.48Å; S41-L96 WeakPolarHBondContact OG-CD2 3.37Å; F82-L96 CarbonylContact C-O 3.59Å; F82-L96 WeakPolarHBondContact CA-O 3.38Å; T83-L96 PolarHBondContact N-O 3.49Å; T83-L96 PolarHBondContact O-N 2.94Å; Q85-L96 HydrophobicContact CG-CD1 4.34Å |
| 97 | I | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 108.4 | 173.5 | -45.3 | 177.3 | 0 | 0 | 0 | 106.8 | I39 A40 L42 F82 L95 S100 Y108 | I39-I97 CarbonylContact C-O 3.53Å; I39-I97 WeakPolarHBondContact CA-O 3.3Å; A40-I97 HydrophobicContact CB-CB 4.12Å; A40-I97 HydrophobicContact CB-CD1 4.5Å; A40-I97 HydrophobicContact CB-CG1 4.43Å; A40-I97 PolarHBondContact N-O 2.92Å; A40-I97 PolarHBondContact O-N 3.33Å; L42-I97 HydrophobicContact CD1-CD1 4.17Å; F82-I97 HydrophobicContact CD1-CB 4.5Å; F82-I97 HydrophobicContact CD1-CD1 4.38Å; F82-I97 HydrophobicContact CD1-CG1 3.86Å; F82-I97 HydrophobicContact CD1-CG2 4.26Å; F82-I97 HydrophobicContact CE1-CB 4.5Å; F82-I97 HydrophobicContact CE1-CD1 3.94Å; F82-I97 HydrophobicContact CE1-CG1 3.88Å; F82-I97 HydrophobicContact CE1-CG2 3.96Å; L95-I97 HydrophobicContact CD2-CG1 4.46Å; L95-I97 HydrophobicContact CG-CG1 4.4Å; I97-S100 PolarHBondContact O-OG 2.83Å; I97-Y108 HydrophobicContact CD1-CD1 4.47Å; I97-Y108 HydrophobicContact CD1-CE1 3.7Å; I97-Y108 HydrophobicContact CD1-CE2 4.12Å |
| 98 | R | 98.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 37% | 0.366 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -79.6 | 155.1 | 177.1 | -65.4 | -171.9 | -71.9 | 93.9 | -0.5 | 110.5 | I39 G80 R81 S100 | I39-R98 HydrophobicContact CD1-CG 4.44Å; I39-R98 HydrophobicContact CG1-CG 4.32Å; G80-R98 PolarHBondContact O-NH2 2.95Å; R81-R98 WeakPolarHBondContact CD-O 3.31Å; R81-R98 PolarHBondContact NH1-O 3.5Å; R81-R98 PolarHBondContact O-N 3.12Å; R98-S100 VanDerWaalsContact C-N 3.33Å; R98-S100 PolarHBondContact O-N 2.85Å |
| 99 | D | 98.2 | Very high | 97.6 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 51.9 | 53.6 | 175.8 | -175 | 37.9 | 0 | 0 | 0 | 111 | R81 Q101 | R81-D99 PolarHBondContact NH1-O 3.4Å; D99-Q101 PolarHBondContact O-N 2.98Å |
| 100 | S | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | trans | -57.1 | 130.7 | -172.1 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | E36 G37 A38 A40 I97 R98 | E36-S100 CarbonylContact C-O 3.47Å; E36-S100 VanDerWaalsContact CA-O 3.28Å; E36-S100 WeakPolarHBondContact CA-O 3.34Å; G37-S100 PolarHBondContact N-O 3.3Å; A38-S100 VanDerWaalsContact O-CB 3.26Å; A38-S100 WeakPolarHBondContact O-CB 3.21Å; A38-S100 PolarHBondContact O-N 2.86Å; A38-S100 PolarHBondContact O-OG 3.48Å; A40-S100 PolarHBondContact N-OG 2.84Å; I97-S100 PolarHBondContact O-OG 2.83Å; R98-S100 VanDerWaalsContact C-N 3.33Å; R98-S100 PolarHBondContact O-N 2.85Å | ||
| 101 | Q | 98.1 | Very high | 97.6 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | trans | -119.3 | 155.1 | 180 | 53 | -173.1 | 82.9 | 0 | 0 | 110.8 | D99 S103 D104 | D99-Q101 PolarHBondContact O-N 2.98Å; Q101-S103 WeakPolarHBondContact CG-OG 3.5Å; Q101-S103 PolarHBondContact NE2-OG 3.18Å; Q101-S103 PolarHBondContact O-N 3.05Å; Q101-D104 VanDerWaalsContact CG-OD2 3.26Å; Q101-D104 WeakPolarHBondContact CG-OD2 3.1Å; Q101-D104 PolarHBondContact N-OD2 2.92Å; Q101-D104 VanDerWaalsContact O-CB 3.31Å; Q101-D104 WeakPolarHBondContact O-CB 3.26Å; Q101-D104 PolarHBondContact O-N 2.84Å | ||
| 102 | P | 97.6 | Very high | 97.5 | Very high | 86 Ų | 86 | 44 Ų | 44 | 56% | 0.558 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -52 | -33.3 | 178.9 | -30.6 | 36.5 | 0 | 0 | 0 | 114.3 | D104 S105 | P102-D104 PolarHBondContact O-N 2.86Å; P102-S105 VanDerWaalsContact O-CB 3.24Å; P102-S105 WeakPolarHBondContact O-CB 3.41Å; P102-S105 PolarHBondContact O-N 2.91Å; P102-S105 PolarHBondContact O-OG 3.47Å |
| 103 | S | 97 | Very high | 97.2 | Very high | 63 Ų | 63 | 45.9 Ų | 45.9 | 44% | 0.441 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -71.5 | -9.5 | 177.5 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | Y60 Q101 S105 | Y60-S103 WeakPolarHBondContact CE1-O 3.05Å; Y60-S103 PolarHBondContact OH-O 2.87Å; Q101-S103 WeakPolarHBondContact CG-OG 3.5Å; Q101-S103 PolarHBondContact NE2-OG 3.18Å; Q101-S103 PolarHBondContact O-N 3.05Å; S103-S105 PolarHBondContact O-N 3.08Å |
| 104 | D | 97.5 | Very high | 97.2 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -77 | -9.2 | 172.7 | -63.2 | -27.5 | 0 | 0 | 0 | 112.3 | R81 Q101 P102 A106 Y108 | R81-D104 IonicContact CZ-OD1 3.78Å; R81-D104 IonicContact CZ-OD2 3.73Å; R81-D104 IonicContact NH1-OD1 2.85Å; R81-D104 IonicContact NH1-OD2 3.83Å; R81-D104 PolarHBondContact NH1-OD2 3.32Å; R81-D104 VanDerWaalsContact NH2-CG 3.31Å; R81-D104 IonicContact NH2-OD1 3.85Å; R81-D104 PolarHBondContact NH2-OD1 2.81Å; R81-D104 IonicContact NH2-OD2 2.72Å; R81-D104 PolarHBondContact NH2-OD2 2.8Å; R81-D104 VanDerWaalsContact NH2-OD2 3.12Å; Q101-D104 VanDerWaalsContact CG-OD2 3.26Å; Q101-D104 WeakPolarHBondContact CG-OD2 3.1Å; Q101-D104 PolarHBondContact N-OD2 2.92Å; Q101-D104 VanDerWaalsContact O-CB 3.31Å; Q101-D104 WeakPolarHBondContact O-CB 3.26Å; Q101-D104 PolarHBondContact O-N 2.84Å; P102-D104 PolarHBondContact O-N 2.86Å; D104-A106 PolarHBondContact O-N 2.65Å; D104-Y108 WeakPolarHBondContact O-CE2 3.46Å; D104-Y108 PolarHBondContact O-OH 3.2Å |
| 105 | S | 97 | Very high | 97.2 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 66% | 0.657 | 29% | 0.292 | S | S | * | . | trans | -61.9 | 104.4 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 111 | P102 S103 | P102-S105 VanDerWaalsContact O-CB 3.24Å; P102-S105 WeakPolarHBondContact O-CB 3.41Å; P102-S105 PolarHBondContact O-N 2.91Å; P102-S105 PolarHBondContact O-OG 3.47Å; S103-S105 PolarHBondContact O-N 3.08Å | ||
| 106 | A | 97.2 | Very high | 97.1 | Very high | 34 Ų | 34 | 53.3 Ų | 53.3 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -160.5 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R58 Y60 D104 Y108 | R58-A106 HydrophobicContact CG-CB 3.62Å; Y60-A106 HydrophobicContact CD1-CB 3.86Å; Y60-A106 HydrophobicContact CE1-CB 4.04Å; D104-A106 PolarHBondContact O-N 2.65Å; A106-Y108 HydrophobicContact CB-CE2 3.97Å; A106-Y108 WeakPolarHBondContact O-CD2 3.19Å |
| 107 | T | 97.1 | Very high | 97 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.6 | 165.8 | -58.8 | 0 | 0 | 0 | 0 | 109.2 | Q59 L109 | Q59-T107 PolarHBondContact N-O 3.41Å; Q59-T107 PolarHBondContact O-N 2.83Å; T107-L109 HydrophobicContact CG2-CD2 3.85Å; T107-L109 HydrophobicContact CG2-CG 4.21Å |
| 108 | Y | 97.7 | Very high | 96.9 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 9% | 0.086 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.4 | 177 | -69 | -96.3 | 0 | 0 | 0 | 110.5 | Q27 L42 Y57 R58 I68 F82 L95 I97 D104 A106 | Q27-Y108 PolarHBondContact NE2-O 2.74Å; L42-Y108 HydrophobicContact CD1-CD1 4.09Å; L42-Y108 HydrophobicContact CD1-CD2 3.95Å; L42-Y108 HydrophobicContact CD1-CG 3.69Å; Y57-Y108 CarbonylContact O-C 3.55Å; Y57-Y108 VanDerWaalsContact O-CA 3.3Å; Y57-Y108 WeakPolarHBondContact O-CA 3.22Å; R58-Y108 HydrophobicContact CB-CD1 4.24Å; R58-Y108 HydrophobicContact CB-CE1 3.97Å; R58-Y108 HydrophobicContact CG-CD1 4.44Å; R58-Y108 HydrophobicContact CG-CE1 3.88Å; I68-Y108 HydrophobicContact CD1-CD1 3.82Å; I68-Y108 HydrophobicContact CD1-CE1 3.69Å; F82-Y108 HydrophobicContact CE1-CE1 4.42Å; L95-Y108 HydrophobicContact CD2-CD1 3.67Å; L95-Y108 HydrophobicContact CD2-CE1 4.1Å; I97-Y108 HydrophobicContact CD1-CD1 4.47Å; I97-Y108 HydrophobicContact CD1-CE1 3.7Å; I97-Y108 HydrophobicContact CD1-CE2 4.12Å; D104-Y108 WeakPolarHBondContact O-CE2 3.46Å; D104-Y108 PolarHBondContact O-OH 3.2Å; A106-Y108 HydrophobicContact CB-CE2 3.97Å; A106-Y108 WeakPolarHBondContact O-CD2 3.19Å |
| 109 | L | 96.9 | Very high | 96.8 | Very high | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130 | -174.3 | -55.5 | 170 | 0 | 0 | 0 | 109.6 | W56 Y57 P65 T107 | W56-L109 WeakPolarHBondContact CA-O 3.36Å; Y57-L109 PolarHBondContact N-O 3.12Å; Y57-L109 PolarHBondContact O-N 2.79Å; P65-L109 HydrophobicContact CB-CD1 4.44Å; P65-L109 HydrophobicContact CG-CD1 4.1Å; T107-L109 HydrophobicContact CG2-CD2 3.85Å; T107-L109 HydrophobicContact CG2-CG 4.21Å |
| 110 | C | 97.5 | Very high | 96.7 | Very high | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 151.5 | 169.7 | 71.4 | 0 | 0 | 0 | 0 | 111.2 | Q27 C44 F55 W56 | Q27-C110 HydrophobicContact CG-CB 4.5Å; Q27-C110 WeakPolarHBondContact CG-SG 3.4Å; Q27-C110 PolarHBondContact OE1-SG 2.85Å; C44-C110 HydrophobicContact CB-CB 3.45Å; C44-C110 VanDerWaalsContact CB-CB 3.45Å; C44-C110 WeakPolarHBondContact CB-SG 3.34Å; C44-C110 WeakPolarHBondContact SG-CB 3.39Å; C44-C110 CovalentContact SG-SG 2.03Å; C44-C110 PolarHBondContact SG-SG 2.76Å; F55-C110 CarbonylContact O-C 3.55Å; F55-C110 VanDerWaalsContact O-CA 3.3Å; F55-C110 WeakPolarHBondContact O-CA 3.25Å; W56-C110 HydrophobicContact CD2-CB 4.19Å; W56-C110 HydrophobicContact CE3-CB 4.08Å; W56-C110 HydrophobicContact CH2-CB 4.01Å; W56-C110 HydrophobicContact CZ2-CB 4.11Å; W56-C110 HydrophobicContact CZ3-CB 4Å |
| 111 | A | 96.5 | Very high | 96.6 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 155.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F54 F55 Y57 | F54-A111 WeakPolarHBondContact CA-O 3.42Å; F55-A111 HydrophobicContact CB-CB 4.34Å; F55-A111 HydrophobicContact CD2-CB 4.45Å; F55-A111 PolarHBondContact N-O 2.84Å; F55-A111 PolarHBondContact O-N 2.88Å; Y57-A111 HydrophobicContact CE2-CB 4.07Å |
| 112 | V | 94.9 | Very high | 96.4 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.2 | 179.1 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | K23 V25 Y46 S53 F54 | K23-V112 HydrophobicContact CB-CG2 4.13Å; K23-V112 HydrophobicContact CD-CG2 4.36Å; V25-V112 HydrophobicContact CG1-CB 4.25Å; V25-V112 HydrophobicContact CG1-CG1 3.68Å; V25-V112 HydrophobicContact CG1-CG2 3.67Å; Y46-V112 HydrophobicContact CG-CG1 4.29Å; S53-V112 CarbonylContact O-C 3.58Å; S53-V112 VanDerWaalsContact O-CA 3.31Å; S53-V112 WeakPolarHBondContact O-CA 3.45Å; F54-V112 HydrophobicContact CD1-CB 4.3Å; F54-V112 HydrophobicContact CD1-CG1 3.45Å; F54-V112 VanDerWaalsContact CD1-CG1 3.45Å; F54-V112 HydrophobicContact CE1-CB 4.34Å; F54-V112 HydrophobicContact CE1-CG1 3.69Å; F54-V112 HydrophobicContact CG-CG1 4.46Å |
| 113 | N | 90.5 | Very high | 96.3 | Very high | 120 Ų | 120 | 50.3 Ų | 50.3 | 64% | 0.642 | 32% | 0.315 | S | S | * | . | trans | -139 | 0 | 173.1 | -172.4 | 53.4 | 0 | 0 | 0 | 111.3 | K23 Q52 S53 F55 | K23-N113 PolarHBondContact NZ-OXT 3.48Å; Q52-N113 PolarHBondContact N-O 3.04Å; S53-N113 PolarHBondContact N-O 2.95Å; S53-N113 PolarHBondContact O-N 3.49Å; F55-N113 HydrophobicContact CE2-CB 4.14Å |
Retrieved 113 of 113 residues in 64.9 ms
(Link to these results)