| 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 | 49.4 | Very low | 62.2 | Low | 243 Ų | 243 | 121.5 Ų | 121.5 | 100% | 1.197 | 77% | 0.772 | S | S | * | * | 0 | 92.3 | 0 | -61.4 | -57.4 | -153 | 0 | 0 | 107.7 | |||||
| 2 | A | 45.8 | Very low | 64 | Low | 107 Ų | 107 | 118 Ų | 118 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 129.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | T4 | A2-T4 PolarHBondContact O-N 2.92Š|
| 3 | A | 52.9 | Low | 66 | Low | 96 Ų | 96 | 115.8 Ų | 115.8 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P5 | A3-P5 WeakPolarHBondContact O-CD 3.29Š|
| 4 | T | 59.6 | Low | 67.7 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 82% | 0.816 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.8 | 166 | 22.4 | 0 | 0 | 0 | 0 | 108.2 | A2 A6 | A2-T4 PolarHBondContact O-N 2.92Å; T4-A6 PolarHBondContact O-N 2.82Å |
| 5 | P | 61.8 | Low | 69.3 | Low | 114 Ų | 114 | 113 Ų | 113 | 74% | 0.74 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 132.4 | 175.9 | 25 | -31.4 | 0 | 0 | 0 | 108.5 | A3 T7 | A3-P5 WeakPolarHBondContact O-CD 3.29Å; P5-T7 PolarHBondContact O-N 3.34Å |
| 6 | A | 61 | Low | 70.7 | Confident | 103 Ų | 103 | 110.6 Ų | 110.6 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | trans | -60.9 | 110.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | T4 N8 | T4-A6 PolarHBondContact O-N 2.82Å; A6-N8 PolarHBondContact O-N 3Å | ||
| 7 | T | 61 | Low | 71.9 | Confident | 102 Ų | 102 | 108.5 Ų | 108.5 | 63% | 0.626 | 66% | 0.661 | S | S | * | * | trans | -62.4 | 122.2 | 176 | -2.8 | 0 | 0 | 0 | 0 | 108.2 | P5 | P5-T7 PolarHBondContact O-N 3.34Š| ||
| 8 | N | 70.6 | Confident | 73.1 | Confident | 88 Ų | 88 | 103.2 Ų | 103.2 | 47% | 0.471 | 63% | 0.629 | S | S | . | * | trans | -59.8 | 125.6 | 173.7 | -172.4 | -10.3 | 0 | 0 | 0 | 107.6 | A6 S10 Q11 | A6-N8 PolarHBondContact O-N 3Å; N8-S10 PolarHBondContact ND2-OG 2.67Å; N8-S10 PolarHBondContact O-N 3.4Å; N8-S10 PolarHBondContact OD1-N 3.07Å; N8-S10 PolarHBondContact OD1-OG 2.99Å; N8-Q11 HydrophobicContact CB-CB 4.12Å; N8-Q11 WeakPolarHBondContact O-CB 3.32Å; N8-Q11 PolarHBondContact O-N 3.04Å | ||
| 9 | P | 66.2 | Low | 74.3 | Confident | 139 Ų | 139 | 102.6 Ų | 102.6 | 90% | 0.903 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -11.7 | -177.6 | 22.5 | -34.4 | 0 | 0 | 0 | 114 | ||
| 10 | S | 77.6 | Confident | 75.3 | Confident | 97 Ų | 97 | 103.6 Ų | 103.6 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -2.1 | 171.9 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | N8 | N8-S10 PolarHBondContact ND2-OG 2.67Å; N8-S10 PolarHBondContact O-N 3.4Å; N8-S10 PolarHBondContact OD1-N 3.07Å; N8-S10 PolarHBondContact OD1-OG 2.99Å |
| 11 | Q | 78.4 | Confident | 76.2 | Confident | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | trans | -96.4 | 103 | 178.6 | -172.8 | 177.2 | -9.6 | 0 | 0 | 109.8 | N8 | N8-Q11 HydrophobicContact CB-CB 4.12Å; N8-Q11 WeakPolarHBondContact O-CB 3.32Å; N8-Q11 PolarHBondContact O-N 3.04Å | ||
| 12 | L | 83.2 | Confident | 78.5 | Confident | 80 Ų | 80 | 90.8 Ų | 90.8 | 42% | 0.419 | 55% | 0.55 | S | S | . | * | trans | -91.8 | 124.6 | 174.5 | -174.3 | 67 | 0 | 0 | 0 | 109.8 | E16 L17 K20 | L12-E16 HydrophobicContact CD1-CB 4.09Å; L12-E16 HydrophobicContact CD1-CG 3.98Å; L12-L17 HydrophobicContact CD2-CB 3.8Å; L12-L17 HydrophobicContact CD2-CD1 3.83Å; L12-L17 HydrophobicContact CD2-CG 4.24Å; L12-L17 HydrophobicContact CG-CB 4.19Å; L12-K20 HydrophobicContact CD1-CD 4.39Å; L12-K20 VanDerWaalsContact CD1-NZ 3.32Å | ||
| 13 | L | 90.3 | Very high | 80.9 | Confident | 89 Ų | 89 | 88.4 Ų | 88.4 | 47% | 0.466 | 54% | 0.536 | S | S | . | . | trans | -77.5 | 145.1 | 173.2 | -64.5 | 177.4 | 0 | 0 | 0 | 110.3 | L15 E16 L17 | L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.9Å; L13-E16 HydrophobicContact CB-CB 4.08Å; L13-E16 WeakPolarHBondContact O-CA 3.23Å; L13-E16 WeakPolarHBondContact O-CB 3.32Å; L13-E16 PolarHBondContact O-N 3.33Å; L13-L17 PolarHBondContact O-N 2.8Å | ||
| 14 | P | 90.5 | Very high | 83 | Confident | 102 Ų | 102 | 86.6 Ų | 86.6 | 66% | 0.662 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -55.1 | -43.3 | 179.8 | -28.7 | 35.8 | 0 | 0 | 0 | 113.7 | E16 L17 V18 | P14-E16 VanDerWaalsContact C-N 3.32Å; P14-E16 PolarHBondContact O-N 2.94Å; P14-L17 WeakPolarHBondContact O-CB 3.47Å; P14-L17 PolarHBondContact O-N 2.85Å; P14-V18 WeakPolarHBondContact O-CG2 3.48Å; P14-V18 PolarHBondContact O-N 2.76Å; P14-V18 VanDerWaalsContact O-N 3.13Å |
| 15 | L | 91.7 | Very high | 84.8 | Confident | 88 Ų | 88 | 86.5 Ų | 86.5 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.2 | -30.2 | 177.5 | -62.7 | 179.9 | 0 | 0 | 0 | 112.6 | L13 L17 V18 D19 F43 V47 | L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.9Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-V18 PolarHBondContact O-N 2.76Å; L15-D19 WeakPolarHBondContact O-CB 3.45Å; L15-D19 PolarHBondContact O-N 2.92Å; L15-F43 HydrophobicContact CD2-CE2 4.11Å; L15-V47 HydrophobicContact CD2-CG2 4.25Å |
| 16 | E | 91.6 | Very high | 86.5 | Confident | 75 Ų | 75 | 81.1 Ų | 81.1 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.7 | -34 | 173.6 | -167.8 | -164.4 | 150.4 | 0 | 0 | 111.2 | L12 L13 P14 K20 | L12-E16 HydrophobicContact CD1-CB 4.09Å; L12-E16 HydrophobicContact CD1-CG 3.98Å; L13-E16 HydrophobicContact CB-CB 4.08Å; L13-E16 WeakPolarHBondContact O-CA 3.23Å; L13-E16 WeakPolarHBondContact O-CB 3.32Å; L13-E16 PolarHBondContact O-N 3.33Å; P14-E16 VanDerWaalsContact C-N 3.32Å; P14-E16 PolarHBondContact O-N 2.94Å; E16-K20 WeakPolarHBondContact O-CG 3.35Å; E16-K20 PolarHBondContact O-N 2.61Å; E16-K20 VanDerWaalsContact O-N 3.1Å; E16-K20 WeakPolarHBondContact OE1-CE 3.47Å; E16-K20 IonicContact OE1-NZ 2.93Å; E16-K20 PolarHBondContact OE1-NZ 3.4Å |
| 17 | L | 91.2 | Very high | 88.2 | Confident | 74 Ų | 74 | 76.8 Ų | 76.8 | 39% | 0.387 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 171.5 | 178.1 | 62 | 0 | 0 | 0 | 111 | L12 L13 P14 L15 D19 K20 C21 P84 | L12-L17 HydrophobicContact CD2-CB 3.8Å; L12-L17 HydrophobicContact CD2-CD1 3.83Å; L12-L17 HydrophobicContact CD2-CG 4.24Å; L12-L17 HydrophobicContact CG-CB 4.19Å; L13-L17 PolarHBondContact O-N 2.8Å; P14-L17 WeakPolarHBondContact O-CB 3.47Å; P14-L17 PolarHBondContact O-N 2.85Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L17-D19 VanDerWaalsContact C-N 3.35Å; L17-K20 PolarHBondContact O-N 2.9Å; L17-C21 PolarHBondContact O-N 3Å; L17-C21 PolarHBondContact O-SG 2.86Å; L17-P84 HydrophobicContact CD1-CG 4.49Å; L17-P84 HydrophobicContact CG-CG 4.49Å |
| 18 | V | 93.6 | Very high | 89.9 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 178.6 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | P14 L15 K20 C21 L40 F43 M49 L82 | P14-V18 WeakPolarHBondContact O-CG2 3.48Å; P14-V18 PolarHBondContact O-N 2.76Å; P14-V18 VanDerWaalsContact O-N 3.13Å; L15-V18 PolarHBondContact O-N 2.76Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 2.85Å; V18-C21 WeakPolarHBondContact O-CA 3.46Å; V18-C21 VanDerWaalsContact O-CB 3.31Å; V18-C21 WeakPolarHBondContact O-CB 3.44Å; V18-C21 PolarHBondContact O-N 2.85Å; V18-L40 HydrophobicContact CG1-CD2 3.96Å; V18-F43 HydrophobicContact CB-CE1 4.2Å; V18-F43 HydrophobicContact CB-CZ 4.24Å; V18-F43 HydrophobicContact CG1-CD1 3.65Å; V18-F43 HydrophobicContact CG1-CD2 4.32Å; V18-F43 HydrophobicContact CG1-CE1 3.73Å; V18-F43 HydrophobicContact CG1-CE2 4.4Å; V18-F43 HydrophobicContact CG1-CG 3.98Å; V18-F43 HydrophobicContact CG1-CZ 4.11Å; V18-M49 HydrophobicContact CG1-CE 3.81Å; V18-L82 HydrophobicContact CG2-CD1 3.7Å |
| 19 | D | 95.1 | Very high | 91.1 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 173.8 | -174.1 | 73.5 | 0 | 0 | 0 | 112.1 | L15 L17 C21 I22 F43 | L15-D19 WeakPolarHBondContact O-CB 3.45Å; L15-D19 PolarHBondContact O-N 2.92Å; L17-D19 VanDerWaalsContact C-N 3.35Å; D19-C21 PolarHBondContact O-N 3.35Å; D19-C21 VanDerWaalsContact O-N 3.12Å; D19-I22 WeakPolarHBondContact O-CB 3.25Å; D19-I22 WeakPolarHBondContact O-CG1 2.96Å; D19-I22 PolarHBondContact O-N 2.82Å; D19-I22 VanDerWaalsContact O-N 3.11Å; D19-F43 HydrophobicContact CB-CE1 4.23Å; D19-F43 HydrophobicContact CB-CZ 4.38Å |
| 20 | K | 93.9 | Very high | 92.4 | Very high | 122 Ų | 122 | 63.1 Ų | 63.1 | 53% | 0.53 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.1 | 174 | -72.2 | 173.5 | -174.1 | 167.5 | 0 | 114.1 | L12 E16 L17 V18 | L12-K20 HydrophobicContact CD1-CD 4.39Å; L12-K20 VanDerWaalsContact CD1-NZ 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.35Å; E16-K20 PolarHBondContact O-N 2.61Å; E16-K20 VanDerWaalsContact O-N 3.1Å; E16-K20 WeakPolarHBondContact OE1-CE 3.47Å; E16-K20 IonicContact OE1-NZ 2.93Å; E16-K20 PolarHBondContact OE1-NZ 3.4Å; L17-K20 PolarHBondContact O-N 2.9Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 2.85Å |
| 21 | C | 95 | Very high | 93.2 | Very high | 8 Ų | 8 | 65.4 Ų | 65.4 | 5% | 0.054 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.2 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | L17 V18 D19 G23 S24 L40 P84 | L17-C21 PolarHBondContact O-N 3Å; L17-C21 PolarHBondContact O-SG 2.86Å; V18-C21 WeakPolarHBondContact O-CA 3.46Å; V18-C21 VanDerWaalsContact O-CB 3.31Å; V18-C21 WeakPolarHBondContact O-CB 3.44Å; V18-C21 PolarHBondContact O-N 2.85Å; D19-C21 PolarHBondContact O-N 3.35Å; D19-C21 VanDerWaalsContact O-N 3.12Å; C21-G23 PolarHBondContact O-N 3.02Å; C21-S24 WeakPolarHBondContact O-CA 3.48Å; C21-S24 VanDerWaalsContact O-CB 3.31Å; C21-S24 WeakPolarHBondContact O-CB 3.27Å; C21-S24 PolarHBondContact O-N 2.82Å; C21-L40 HydrophobicContact CB-CD2 4.11Å; C21-P84 WeakPolarHBondContact SG-CB 3.48Å; C21-P84 WeakPolarHBondContact SG-CG 3.49Å |
| 22 | I | 96.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 36% | 0.359 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 134.4 | 176 | -63.3 | 171 | 0 | 0 | 0 | 109.5 | D19 S24 L40 F43 | D19-I22 WeakPolarHBondContact O-CB 3.25Å; D19-I22 WeakPolarHBondContact O-CG1 2.96Å; D19-I22 PolarHBondContact O-N 2.82Å; D19-I22 VanDerWaalsContact O-N 3.11Å; I22-S24 PolarHBondContact O-N 2.74Å; I22-L40 CarbonylContact C-O 3.59Å; I22-L40 WeakPolarHBondContact CA-O 3.33Å; I22-L40 HydrophobicContact CG1-CD2 4.06Å; I22-L40 HydrophobicContact CG1-CG 4.28Å; I22-F43 HydrophobicContact CD1-CD1 4.38Å; I22-F43 HydrophobicContact CD1-CE1 4.18Å |
| 23 | G | 96.8 | Very high | 94 | Very high | 57 Ų | 57 | 65.9 Ų | 65.9 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -0.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C21 L40 | C21-G23 PolarHBondContact O-N 3.02Å; G23-L40 PolarHBondContact N-O 2.94Å |
| 24 | S | 97.1 | Very high | 94.2 | Very high | 58 Ų | 58 | 63.9 Ų | 63.9 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -107.4 | 158.1 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | C21 I22 T39 L40 | C21-S24 WeakPolarHBondContact O-CA 3.48Å; C21-S24 VanDerWaalsContact O-CB 3.31Å; C21-S24 WeakPolarHBondContact O-CB 3.27Å; C21-S24 PolarHBondContact O-N 2.82Å; I22-S24 PolarHBondContact O-N 2.74Å; S24-T39 WeakPolarHBondContact O-CA 3.4Å; S24-L40 PolarHBondContact O-N 3.36Å |
| 25 | R | 96.8 | Very high | 94.4 | Very high | 132 Ų | 132 | 61.1 Ų | 61.1 | 50% | 0.498 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 134.6 | 172.3 | -171.9 | 158.5 | -80.9 | 154.4 | -3.4 | 109.7 | V37 G38 G85 | R25-V37 HydrophobicContact CG-CG1 3.84Å; R25-G38 CarbonylContact C-O 3.6Å; R25-G38 WeakPolarHBondContact CA-O 3.46Å; R25-G85 VanDerWaalsContact O-CA 3.31Å; R25-G85 WeakPolarHBondContact O-CA 3.49Å; R25-G85 PolarHBondContact O-N 2.95Å |
| 26 | I | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.7 | 178.2 | -165.7 | 167.5 | 0 | 0 | 0 | 109.3 | I28 V37 G38 L40 L51 L82 | I26-I28 HydrophobicContact CG1-CG1 4.3Å; I26-I28 HydrophobicContact CG2-CD1 4.22Å; I26-I28 HydrophobicContact CG2-CG1 4.1Å; I26-V37 WeakPolarHBondContact O-CA 3.39Å; I26-G38 PolarHBondContact N-O 2.99Å; I26-G38 PolarHBondContact O-N 3.43Å; I26-L40 HydrophobicContact CD1-CD2 4.48Å; I26-L40 HydrophobicContact CG2-CB 4.03Å; I26-L51 HydrophobicContact CG2-CD2 3.87Å; I26-L82 HydrophobicContact CD1-CB 4.21Å; I26-L82 HydrophobicContact CD1-CD2 4.03Å |
| 27 | H | 97.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.1 | 170.8 | 175.2 | -149.9 | 0 | 0 | 0 | 109.3 | E35 I36 V37 I83 | H27-E35 IonicContact CE1-OE2 3.86Å; H27-E35 PolarHBondContact CE1-OE2 2.8Å; H27-E35 IonicContact NE2-OE2 2.92Å; H27-E35 PolarHBondContact NE2-OE2 2.79Å; H27-I36 CarbonylContact C-O 3.52Å; H27-I36 WeakPolarHBondContact CA-O 3.33Å; H27-V37 HydrophobicContact CB-CG2 4.01Å; H27-I83 HydrophobicContact CB-CB 4.09Å; H27-I83 PolarHBondContact N-O 2.75Å; H27-I83 PolarHBondContact O-N 2.94Å |
| 28 | I | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.3 | -175.1 | -51.9 | -171.6 | 0 | 0 | 0 | 109 | I26 M30 E35 I36 M49 L51 L74 I79 M81 L82 | I26-I28 HydrophobicContact CG1-CG1 4.3Å; I26-I28 HydrophobicContact CG2-CD1 4.22Å; I26-I28 HydrophobicContact CG2-CG1 4.1Å; I28-M30 HydrophobicContact CG2-SD 4.48Å; I28-E35 CarbonylContact O-C 3.59Å; I28-E35 WeakPolarHBondContact O-CA 3.36Å; I28-I36 HydrophobicContact CB-CB 4.4Å; I28-I36 PolarHBondContact N-O 2.77Å; I28-I36 PolarHBondContact O-N 2.9Å; I28-M49 HydrophobicContact CD1-SD 3.49Å; I28-M49 WeakPolarHBondContact CD1-SD 3.27Å; I28-L51 HydrophobicContact CD1-CD1 3.79Å; I28-L51 HydrophobicContact CD1-CD2 4.31Å; I28-L74 HydrophobicContact CB-CD2 4.39Å; I28-L74 HydrophobicContact CD1-CD2 3.7Å; I28-L74 HydrophobicContact CG2-CD2 3.85Å; I28-I79 HydrophobicContact CG2-CB 4.46Å; I28-I79 HydrophobicContact CG2-CD1 4.24Å; I28-I79 HydrophobicContact CG2-CG1 3.97Å; I28-I79 HydrophobicContact CG2-CG2 3.93Å; I28-M81 WeakPolarHBondContact CA-O 3.45Å; I28-L82 HydrophobicContact CB-CD2 4.3Å; I28-L82 HydrophobicContact CD1-CD2 3.89Å; I28-L82 HydrophobicContact CG1-CD2 3.73Å; I28-L82 HydrophobicContact CG2-CD2 3.96Å |
| 29 | V | 95.5 | Very high | 95.4 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.7 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | E35 T80 M81 I83 | V29-E35 HydrophobicContact CB-CG 4.42Å; V29-E35 HydrophobicContact CG1-CG 4.13Å; V29-E35 HydrophobicContact CG2-CG 4.19Å; V29-T80 WeakPolarHBondContact O-CA 3.31Å; V29-T80 WeakPolarHBondContact O-CB 3.48Å; V29-T80 PolarHBondContact O-N 3.29Å; V29-M81 HydrophobicContact CB-CB 4.14Å; V29-M81 HydrophobicContact CB-CE 4.07Å; V29-M81 HydrophobicContact CG1-CE 4.02Å; V29-M81 HydrophobicContact CG2-CB 4.35Å; V29-M81 HydrophobicContact CG2-CE 4.12Å; V29-M81 PolarHBondContact N-O 3Å; V29-M81 PolarHBondContact O-N 2.86Å; V29-M81 VanDerWaalsContact O-N 3.15Å; V29-I83 HydrophobicContact CG2-CD1 4.23Å |
| 30 | M | 95.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 172.9 | 180 | -57.4 | -74.3 | -79.6 | 0 | 0 | 111 | I28 T32 K34 I36 L74 N78 I79 T80 | I28-M30 HydrophobicContact CG2-SD 4.48Å; M30-T32 VanDerWaalsContact C-N 3.26Å; M30-K34 HydrophobicContact CB-CB 4.26Å; M30-K34 WeakPolarHBondContact CB-O 3.31Å; M30-K34 HydrophobicContact CG-CB 4.23Å; M30-K34 HydrophobicContact CG-CG 4.32Å; M30-K34 VanDerWaalsContact CG-O 3.31Å; M30-K34 WeakPolarHBondContact CG-O 3.46Å; M30-K34 PolarHBondContact N-O 2.95Å; M30-I36 HydrophobicContact CG-CD1 4.28Å; M30-I36 HydrophobicContact SD-CD1 4.23Å; M30-L74 HydrophobicContact CE-CD1 3.7Å; M30-L74 HydrophobicContact SD-CD1 3.84Å; M30-L74 HydrophobicContact SD-CD2 4.02Å; M30-L74 HydrophobicContact SD-CG 4.26Å; M30-N78 CarbonylContact C-O 3.55Å; M30-N78 VanDerWaalsContact CA-O 3.24Å; M30-N78 WeakPolarHBondContact CA-O 3.35Å; M30-N78 HydrophobicContact CE-CB 3.46Å; M30-N78 VanDerWaalsContact CE-CB 3.46Å; M30-N78 HydrophobicContact SD-CB 4.4Å; M30-I79 HydrophobicContact SD-CG1 4.34Å; M30-T80 PolarHBondContact O-OG1 3.05Å; M30-T80 VanDerWaalsContact O-OG1 3.1Å |
| 31 | K | 94.1 | Very high | 95.8 | Very high | 144 Ų | 144 | 43.5 Ų | 43.5 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -68.2 | -26.8 | 171.6 | -73.8 | 178.1 | 179.5 | 170.1 | 0 | 113.2 | N77 N78 T80 | K31-N77 VanDerWaalsContact CE-O 3.23Å; K31-N77 WeakPolarHBondContact CE-O 3.44Å; K31-N77 PolarHBondContact NZ-O 3.48Å; K31-N78 PolarHBondContact N-O 2.92Å; K31-T80 VanDerWaalsContact CA-OG1 3.26Å; K31-T80 WeakPolarHBondContact CA-OG1 3.36Å; K31-T80 WeakPolarHBondContact CG-OG1 3.35Å; K31-T80 PolarHBondContact N-OG1 2.86Å; K31-T80 VanDerWaalsContact N-OG1 3.13Å |
| 32 | T | 89.3 | Confident | 95.9 | Very high | 89 Ų | 89 | 43.9 Ų | 43.9 | 55% | 0.546 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -91.1 | 178.2 | 176.3 | 56.8 | 0 | 0 | 0 | 0 | 110 | M30 K34 | M30-T32 VanDerWaalsContact C-N 3.26Å; T32-K34 PolarHBondContact O-N 2.74Å |
| 33 | D | 88.8 | Confident | 95.9 | Very high | 115 Ų | 115 | 43.2 Ų | 43.2 | 62% | 0.615 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -73.8 | 49.1 | 174.3 | -49.1 | -56 | 0 | 0 | 0 | 112.4 | E58 I59 | D33-E58 WeakPolarHBondContact O-CA 3.45Å; D33-I59 HydrophobicContact CB-CB 3.83Å; D33-I59 HydrophobicContact CB-CD1 4.31Å; D33-I59 HydrophobicContact CB-CG1 4.23Å; D33-I59 PolarHBondContact O-N 2.82Å |
| 34 | K | 93.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.4 | -178.5 | -175.5 | 174 | -65.6 | -160.7 | 0 | 110.3 | M30 T32 I36 E56 F57 E58 | M30-K34 HydrophobicContact CB-CB 4.26Å; M30-K34 WeakPolarHBondContact CB-O 3.31Å; M30-K34 HydrophobicContact CG-CB 4.23Å; M30-K34 HydrophobicContact CG-CG 4.32Å; M30-K34 VanDerWaalsContact CG-O 3.31Å; M30-K34 WeakPolarHBondContact CG-O 3.46Å; M30-K34 PolarHBondContact N-O 2.95Å; T32-K34 PolarHBondContact O-N 2.74Å; K34-I36 HydrophobicContact CG-CG1 4.36Å; K34-E56 HydrophobicContact CD-CG 3.9Å; K34-E56 WeakPolarHBondContact CD-OE1 3.49Å; K34-E56 WeakPolarHBondContact CE-OE1 3.31Å; K34-E56 HydrophobicContact CG-CG 3.97Å; K34-E56 IonicContact NZ-OE1 2.71Å; K34-E56 PolarHBondContact NZ-OE1 3.36Å; K34-F57 CarbonylContact C-O 3.4Å; K34-F57 VanDerWaalsContact CA-O 3.27Å; K34-F57 WeakPolarHBondContact CA-O 3.12Å; K34-E58 IonicContact NZ-OE1 2.61Å |
| 35 | E | 95.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142 | 178.9 | -74 | 177.9 | -114.3 | 0 | 0 | 108.9 | H27 I28 V29 F57 P89 | H27-E35 IonicContact CE1-OE2 3.86Å; H27-E35 PolarHBondContact CE1-OE2 2.8Å; H27-E35 IonicContact NE2-OE2 2.92Å; H27-E35 PolarHBondContact NE2-OE2 2.79Å; I28-E35 CarbonylContact O-C 3.59Å; I28-E35 WeakPolarHBondContact O-CA 3.36Å; V29-E35 HydrophobicContact CB-CG 4.42Å; V29-E35 HydrophobicContact CG1-CG 4.13Å; V29-E35 HydrophobicContact CG2-CG 4.19Å; E35-F57 HydrophobicContact CB-CB 4.26Å; E35-F57 PolarHBondContact N-O 2.93Å; E35-F57 PolarHBondContact O-N 3.29Å; E35-P89 HydrophobicContact CB-CG 4.46Å; E35-P89 WeakPolarHBondContact OE2-CD 3.42Å; E35-P89 WeakPolarHBondContact OE2-CG 3.39Å |
| 36 | I | 96.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.5 | -171.6 | -61.7 | 173.7 | 0 | 0 | 0 | 108.5 | H27 I28 M30 K34 L51 V54 E56 I72 L74 | H27-I36 CarbonylContact C-O 3.52Å; H27-I36 WeakPolarHBondContact CA-O 3.33Å; I28-I36 HydrophobicContact CB-CB 4.4Å; I28-I36 PolarHBondContact N-O 2.77Å; I28-I36 PolarHBondContact O-N 2.9Å; M30-I36 HydrophobicContact CG-CD1 4.28Å; M30-I36 HydrophobicContact SD-CD1 4.23Å; K34-I36 HydrophobicContact CG-CG1 4.36Å; I36-L51 HydrophobicContact CG2-CD1 3.72Å; I36-V54 HydrophobicContact CG2-CG1 3.45Å; I36-V54 VanDerWaalsContact CG2-CG1 3.45Å; I36-E56 HydrophobicContact CG1-CG 4.29Å; I36-I72 HydrophobicContact CD1-CD1 4.29Å; I36-I72 HydrophobicContact CG2-CD1 4.12Å; I36-L74 HydrophobicContact CD1-CD1 3.44Å; I36-L74 VanDerWaalsContact CD1-CD1 3.44Å; I36-L74 HydrophobicContact CD1-CD2 3.99Å; I36-L74 HydrophobicContact CD1-CG 4.36Å |
| 37 | V | 97.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.9 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | R25 I26 H27 V54 T55 F57 G88 | R25-V37 HydrophobicContact CG-CG1 3.84Å; I26-V37 WeakPolarHBondContact O-CA 3.39Å; H27-V37 HydrophobicContact CB-CG2 4.01Å; V37-V54 CarbonylContact O-C 3.54Å; V37-V54 WeakPolarHBondContact O-CA 3.39Å; V37-T55 PolarHBondContact N-O 2.85Å; V37-T55 PolarHBondContact O-N 3.12Å; V37-F57 HydrophobicContact CB-CE2 4.26Å; V37-F57 HydrophobicContact CG2-CD2 4.39Å; V37-F57 HydrophobicContact CG2-CE2 3.74Å; V37-G88 VanDerWaalsContact CG2-CA 3.43Å |
| 38 | G | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R25 I26 E52 | R25-G38 CarbonylContact C-O 3.6Å; R25-G38 WeakPolarHBondContact CA-O 3.46Å; I26-G38 PolarHBondContact N-O 2.99Å; I26-G38 PolarHBondContact O-N 3.43Å; G38-E52 WeakPolarHBondContact CA-O 3.5Å |
| 39 | T | 97.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.6 | 172.1 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | S24 L41 L51 E52 | S24-T39 WeakPolarHBondContact O-CA 3.4Å; T39-L41 PolarHBondContact O-N 2.99Å; T39-L51 VanDerWaalsContact O-CA 3.27Å; T39-L51 WeakPolarHBondContact O-CA 3.24Å; T39-E52 HydrophobicContact CG2-CG 4.22Å; T39-E52 PolarHBondContact N-O 2.76Å; T39-E52 PolarHBondContact O-N 3.44Å |
| 40 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 115.9 | 179.3 | 178.8 | 63 | 0 | 0 | 0 | 110.8 | V18 C21 I22 G23 S24 I26 G42 M49 L51 | V18-L40 HydrophobicContact CG1-CD2 3.96Å; C21-L40 HydrophobicContact CB-CD2 4.11Å; I22-L40 CarbonylContact C-O 3.59Å; I22-L40 WeakPolarHBondContact CA-O 3.33Å; I22-L40 HydrophobicContact CG1-CD2 4.06Å; I22-L40 HydrophobicContact CG1-CG 4.28Å; G23-L40 PolarHBondContact N-O 2.94Å; S24-L40 PolarHBondContact O-N 3.36Å; I26-L40 HydrophobicContact CD1-CD2 4.48Å; I26-L40 HydrophobicContact CG2-CB 4.03Å; L40-G42 WeakPolarHBondContact CD1-O 3.49Å; L40-M49 HydrophobicContact CD1-CB 4.05Å; L40-M49 HydrophobicContact CD1-CG 4.23Å; L40-M49 HydrophobicContact CD1-SD 3.96Å; L40-L51 HydrophobicContact CB-CD2 4.13Å; L40-L51 HydrophobicContact CD1-CD2 3.76Å |
| 41 | L | 98.1 | Very high | 95.6 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -30.1 | 175.2 | -68.6 | -175.9 | 0 | 0 | 0 | 112.7 | T39 V50 E52 Q71 | T39-L41 PolarHBondContact O-N 2.99Å; L41-V50 HydrophobicContact CB-CB 4.18Å; L41-V50 HydrophobicContact CB-CG1 4.08Å; L41-V50 WeakPolarHBondContact CB-O 3.46Å; L41-V50 HydrophobicContact CD1-CG1 4Å; L41-V50 PolarHBondContact N-O 3.15Å; L41-E52 HydrophobicContact CD1-CB 3.93Å; L41-E52 HydrophobicContact CD1-CG 4.12Å; L41-E52 VanDerWaalsContact CD2-CD 3.46Å; L41-E52 HydrophobicContact CD2-CG 3.94Å; L41-E52 HydrophobicContact CG-CB 4.24Å; L41-E52 HydrophobicContact CG-CG 3.96Å; L41-Q71 VanDerWaalsContact CD1-NE2 3.32Å |
| 42 | G | 97.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | 170.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L40 M49 V50 | L40-G42 WeakPolarHBondContact CD1-O 3.49Å; G42-M49 WeakPolarHBondContact O-CA 3.47Å; G42-V50 PolarHBondContact O-N 3.07Å |
| 43 | F | 97.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 165.1 | 177.4 | 69.7 | -76.7 | 0 | 0 | 0 | 110.7 | L15 V18 D19 I22 N48 M49 | L15-F43 HydrophobicContact CD2-CE2 4.11Å; V18-F43 HydrophobicContact CB-CE1 4.2Å; V18-F43 HydrophobicContact CB-CZ 4.24Å; V18-F43 HydrophobicContact CG1-CD1 3.65Å; V18-F43 HydrophobicContact CG1-CD2 4.32Å; V18-F43 HydrophobicContact CG1-CE1 3.73Å; V18-F43 HydrophobicContact CG1-CE2 4.4Å; V18-F43 HydrophobicContact CG1-CG 3.98Å; V18-F43 HydrophobicContact CG1-CZ 4.11Å; D19-F43 HydrophobicContact CB-CE1 4.23Å; D19-F43 HydrophobicContact CB-CZ 4.38Å; I22-F43 HydrophobicContact CD1-CD1 4.38Å; I22-F43 HydrophobicContact CD1-CE1 4.18Å; F43-N48 CarbonylContact C-O 3.57Å; F43-N48 WeakPolarHBondContact CA-O 3.5Å; F43-N48 WeakPolarHBondContact CB-O 3.31Å; F43-M49 HydrophobicContact CB-CG 3.99Å |
| 44 | D | 95.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 44 Ų | 44 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | trans | -110.3 | 179.9 | 174.8 | 71 | 7.6 | 0 | 0 | 0 | 112.6 | F46 V47 N48 | D44-F46 PolarHBondContact O-N 3.1Å; D44-F46 VanDerWaalsContact O-N 3.1Å; D44-F46 VanDerWaalsContact OD1-C 3.3Å; D44-F46 WeakPolarHBondContact OD1-CA 3.16Å; D44-F46 WeakPolarHBondContact OD1-CB 3.24Å; D44-F46 PolarHBondContact OD1-N 3.13Å; D44-V47 WeakPolarHBondContact O-CA 3.47Å; D44-V47 PolarHBondContact O-N 3.24Å; D44-V47 PolarHBondContact OD1-N 3.27Å; D44-N48 PolarHBondContact N-O 2.83Å; D44-N48 VanDerWaalsContact N-O 3.12Å; D44-N48 WeakPolarHBondContact OD1-CB 3.23Å; D44-N48 PolarHBondContact OD1-N 3.39Å; D44-N48 PolarHBondContact OD1-ND2 3.11Å; D44-N48 PolarHBondContact OD2-ND2 2.81Å | ||
| 45 | D | 92.4 | Very high | 96.7 | Very high | 151 Ų | 151 | 43.2 Ų | 43.2 | 81% | 0.807 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.5 | 179.1 | -66.6 | -27.9 | 0 | 0 | 0 | 113.7 | V47 | D45-V47 VanDerWaalsContact C-N 3.34Š|
| 46 | F | 93.3 | Very high | 96.7 | Very high | 158 Ų | 158 | 42.4 Ų | 42.4 | 69% | 0.693 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 4.7 | 175.8 | -58.3 | -73.9 | 0 | 0 | 0 | 112.6 | D44 N48 | D44-F46 PolarHBondContact O-N 3.1Å; D44-F46 VanDerWaalsContact O-N 3.1Å; D44-F46 VanDerWaalsContact OD1-C 3.3Å; D44-F46 WeakPolarHBondContact OD1-CA 3.16Å; D44-F46 WeakPolarHBondContact OD1-CB 3.24Å; D44-F46 PolarHBondContact OD1-N 3.13Å; F46-N48 PolarHBondContact O-N 3.24Å |
| 47 | V | 95 | Very high | 96.6 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 21% | 0.212 | 23% | 0.227 | C | C | . | . | trans | 61.8 | 26.9 | -178.4 | -161.8 | 0 | 0 | 0 | 0 | 111.6 | L15 D44 D45 M49 G76 I79 L82 | L15-V47 HydrophobicContact CD2-CG2 4.25Å; D44-V47 WeakPolarHBondContact O-CA 3.47Å; D44-V47 PolarHBondContact O-N 3.24Å; D44-V47 PolarHBondContact OD1-N 3.27Å; D45-V47 VanDerWaalsContact C-N 3.34Å; V47-M49 HydrophobicContact CG1-CE 3.42Å; V47-M49 VanDerWaalsContact CG1-CE 3.42Å; V47-G76 WeakPolarHBondContact O-CA 3.41Å; V47-I79 HydrophobicContact CG1-CD1 4.34Å; V47-I79 WeakPolarHBondContact O-CD1 3.45Å; V47-L82 HydrophobicContact CG1-CD1 4.34Å | ||
| 48 | N | 96.2 | Very high | 96.4 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | trans | -68.9 | 133.3 | 161.4 | -57.9 | -57.3 | 0 | 0 | 0 | 107.8 | F43 D44 F46 L73 L74 N75 G76 | F43-N48 CarbonylContact C-O 3.57Å; F43-N48 WeakPolarHBondContact CA-O 3.5Å; F43-N48 WeakPolarHBondContact CB-O 3.31Å; D44-N48 PolarHBondContact N-O 2.83Å; D44-N48 VanDerWaalsContact N-O 3.12Å; D44-N48 WeakPolarHBondContact OD1-CB 3.23Å; D44-N48 PolarHBondContact OD1-N 3.39Å; D44-N48 PolarHBondContact OD1-ND2 3.11Å; D44-N48 PolarHBondContact OD2-ND2 2.81Å; F46-N48 PolarHBondContact O-N 3.24Å; N48-L73 HydrophobicContact CB-CD1 4.42Å; N48-L74 CarbonylContact C-O 3.57Å; N48-L74 VanDerWaalsContact CA-O 3.23Å; N48-L74 WeakPolarHBondContact CA-O 3.32Å; N48-N75 WeakPolarHBondContact OD1-CA 3.42Å; N48-G76 PolarHBondContact OD1-N 3.12Å | ||
| 49 | M | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.5 | -170.9 | -60.7 | -165.3 | 169.8 | 0 | 0 | 111.7 | V18 I28 L40 G42 F43 V47 L51 L73 L74 I79 L82 | V18-M49 HydrophobicContact CG1-CE 3.81Å; I28-M49 HydrophobicContact CD1-SD 3.49Å; I28-M49 WeakPolarHBondContact CD1-SD 3.27Å; L40-M49 HydrophobicContact CD1-CB 4.05Å; L40-M49 HydrophobicContact CD1-CG 4.23Å; L40-M49 HydrophobicContact CD1-SD 3.96Å; G42-M49 WeakPolarHBondContact O-CA 3.47Å; F43-M49 HydrophobicContact CB-CG 3.99Å; V47-M49 HydrophobicContact CG1-CE 3.42Å; V47-M49 VanDerWaalsContact CG1-CE 3.42Å; M49-L51 HydrophobicContact CB-CD2 4.4Å; M49-L73 CarbonylContact O-C 3.51Å; M49-L73 WeakPolarHBondContact O-CA 3.45Å; M49-L74 HydrophobicContact CB-CB 4.38Å; M49-L74 PolarHBondContact N-O 3.29Å; M49-L74 PolarHBondContact O-N 2.94Å; M49-I79 HydrophobicContact CE-CD1 4.38Å; M49-I79 HydrophobicContact CG-CD1 4.16Å; M49-I79 HydrophobicContact SD-CD1 4.18Å; M49-L82 HydrophobicContact CE-CD1 3.43Å; M49-L82 VanDerWaalsContact CE-CD1 3.43Å; M49-L82 HydrophobicContact CE-CD2 3.44Å; M49-L82 VanDerWaalsContact CE-CD2 3.44Å; M49-L82 HydrophobicContact CE-CG 4.08Å; M49-L82 HydrophobicContact SD-CD2 3.81Å |
| 50 | V | 98 | Very high | 95.5 | Very high | 50 Ų | 50 | 51.7 Ų | 51.7 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.7 | 167.5 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | L41 G42 Q71 I72 L73 | L41-V50 HydrophobicContact CB-CB 4.18Å; L41-V50 HydrophobicContact CB-CG1 4.08Å; L41-V50 WeakPolarHBondContact CB-O 3.46Å; L41-V50 HydrophobicContact CD1-CG1 4Å; L41-V50 PolarHBondContact N-O 3.15Å; G42-V50 PolarHBondContact O-N 3.07Å; V50-Q71 HydrophobicContact CG1-CG 4.26Å; V50-I72 WeakPolarHBondContact CA-O 3.34Å; V50-L73 HydrophobicContact CG2-CD1 3.89Å |
| 51 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.6 | 178.9 | -56.1 | 178.6 | 0 | 0 | 0 | 110.7 | I26 I28 I36 T39 L40 M49 V54 Q71 I72 | I26-L51 HydrophobicContact CG2-CD2 3.87Å; I28-L51 HydrophobicContact CD1-CD1 3.79Å; I28-L51 HydrophobicContact CD1-CD2 4.31Å; I36-L51 HydrophobicContact CG2-CD1 3.72Å; T39-L51 VanDerWaalsContact O-CA 3.27Å; T39-L51 WeakPolarHBondContact O-CA 3.24Å; L40-L51 HydrophobicContact CB-CD2 4.13Å; L40-L51 HydrophobicContact CD1-CD2 3.76Å; M49-L51 HydrophobicContact CB-CD2 4.4Å; L51-V54 HydrophobicContact CB-CG2 3.54Å; L51-Q71 CarbonylContact O-C 3.56Å; L51-Q71 VanDerWaalsContact O-CA 3.25Å; L51-Q71 WeakPolarHBondContact O-CA 3.36Å; L51-Q71 WeakPolarHBondContact O-CG 3.23Å; L51-I72 HydrophobicContact CB-CG1 4.12Å; L51-I72 HydrophobicContact CD1-CD1 4.34Å; L51-I72 PolarHBondContact N-O 2.71Å; L51-I72 PolarHBondContact O-N 3.1Å |
| 52 | E | 98.2 | Very high | 94.3 | Very high | 70 Ų | 70 | 64.7 Ų | 64.7 | 33% | 0.327 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 166.1 | 169.6 | 68.5 | -179.1 | -174.1 | 0 | 0 | 112.2 | G38 T39 L41 V54 D70 | G38-E52 WeakPolarHBondContact CA-O 3.5Å; T39-E52 HydrophobicContact CG2-CG 4.22Å; T39-E52 PolarHBondContact N-O 2.76Å; T39-E52 PolarHBondContact O-N 3.44Å; L41-E52 HydrophobicContact CD1-CB 3.93Å; L41-E52 HydrophobicContact CD1-CG 4.12Å; L41-E52 VanDerWaalsContact CD2-CD 3.46Å; L41-E52 HydrophobicContact CD2-CG 3.94Å; L41-E52 HydrophobicContact CG-CB 4.24Å; L41-E52 HydrophobicContact CG-CG 3.96Å; E52-V54 VanDerWaalsContact C-N 3.29Å; E52-V54 PolarHBondContact O-N 2.82Å; E52-D70 CarbonylContact C-O 3.57Å; E52-D70 VanDerWaalsContact CA-O 3.23Å; E52-D70 WeakPolarHBondContact CA-O 3.48Å |
| 53 | D | 96.9 | Very high | 93.8 | Very high | 100 Ų | 100 | 65.6 Ų | 65.6 | 54% | 0.535 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.1 | 49.4 | -178.5 | -70.1 | -37.7 | 0 | 0 | 0 | 112.2 | D70 | D53-D70 PolarHBondContact N-O 3.46Å |
| 54 | V | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 136.1 | -165.6 | -177 | 0 | 0 | 0 | 0 | 111.5 | I36 V37 L51 E52 K68 L69 I72 | I36-V54 HydrophobicContact CG2-CG1 3.45Å; I36-V54 VanDerWaalsContact CG2-CG1 3.45Å; V37-V54 CarbonylContact O-C 3.54Å; V37-V54 WeakPolarHBondContact O-CA 3.39Å; L51-V54 HydrophobicContact CB-CG2 3.54Å; E52-V54 VanDerWaalsContact C-N 3.29Å; E52-V54 PolarHBondContact O-N 2.82Å; V54-K68 CarbonylContact O-C 3.56Å; V54-K68 VanDerWaalsContact O-CA 3.29Å; V54-K68 WeakPolarHBondContact O-CA 3.49Å; V54-L69 HydrophobicContact CB-CB 4.33Å; V54-L69 PolarHBondContact N-O 3.22Å; V54-L69 PolarHBondContact O-N 3.13Å; V54-I72 HydrophobicContact CG1-CD1 3.99Å; V54-I72 HydrophobicContact CG2-CD1 4.43Å; V54-I72 HydrophobicContact CG2-CG1 4.13Å |
| 55 | T | 96.7 | Very high | 93.2 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.4 | 166.1 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | V37 F57 I66 T67 | V37-T55 PolarHBondContact N-O 2.85Å; V37-T55 PolarHBondContact O-N 3.12Å; T55-F57 HydrophobicContact CG2-CD1 4.45Å; T55-F57 HydrophobicContact CG2-CD2 4.5Å; T55-F57 HydrophobicContact CG2-CE1 3.8Å; T55-F57 HydrophobicContact CG2-CE2 3.81Å; T55-F57 HydrophobicContact CG2-CZ 3.44Å; T55-F57 VanDerWaalsContact CG2-CZ 3.44Å; T55-I66 HydrophobicContact CG2-CG2 3.58Å; T55-T67 WeakPolarHBondContact CA-O 3.18Å |
| 56 | E | 95.6 | Very high | 93.3 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.8 | 175.6 | -175.9 | -176.7 | 141.1 | 0 | 0 | 109.8 | K34 I36 I66 T67 | K34-E56 HydrophobicContact CD-CG 3.9Å; K34-E56 WeakPolarHBondContact CD-OE1 3.49Å; K34-E56 WeakPolarHBondContact CE-OE1 3.31Å; K34-E56 HydrophobicContact CG-CG 3.97Å; K34-E56 IonicContact NZ-OE1 2.71Å; K34-E56 PolarHBondContact NZ-OE1 3.36Å; I36-E56 HydrophobicContact CG1-CG 4.29Å; E56-I66 CarbonylContact O-C 3.53Å; E56-I66 WeakPolarHBondContact O-CA 3.45Å; E56-T67 PolarHBondContact N-O 3.31Å; E56-T67 PolarHBondContact O-N 2.91Å |
| 57 | F | 94.9 | Very high | 93.4 | Very high | 23 Ų | 23 | 63 Ų | 63 | 10% | 0.101 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.6 | 175.1 | -55.9 | -78.6 | 0 | 0 | 0 | 108.6 | K34 E35 V37 T55 R64 R65 I66 | K34-F57 CarbonylContact C-O 3.4Å; K34-F57 VanDerWaalsContact CA-O 3.27Å; K34-F57 WeakPolarHBondContact CA-O 3.12Å; E35-F57 HydrophobicContact CB-CB 4.26Å; E35-F57 PolarHBondContact N-O 2.93Å; E35-F57 PolarHBondContact O-N 3.29Å; V37-F57 HydrophobicContact CB-CE2 4.26Å; V37-F57 HydrophobicContact CG2-CD2 4.39Å; V37-F57 HydrophobicContact CG2-CE2 3.74Å; T55-F57 HydrophobicContact CG2-CD1 4.45Å; T55-F57 HydrophobicContact CG2-CD2 4.5Å; T55-F57 HydrophobicContact CG2-CE1 3.8Å; T55-F57 HydrophobicContact CG2-CE2 3.81Å; T55-F57 HydrophobicContact CG2-CZ 3.44Å; T55-F57 VanDerWaalsContact CG2-CZ 3.44Å; F57-R64 VanDerWaalsContact CD1-NE 3.27Å; F57-R65 WeakPolarHBondContact CA-O 3.46Å; F57-I66 HydrophobicContact CD1-CD1 4.15Å; F57-I66 HydrophobicContact CD1-CG1 3.9Å; F57-I66 HydrophobicContact CD1-CG2 4.17Å; F57-I66 HydrophobicContact CE1-CD1 3.99Å; F57-I66 HydrophobicContact CE1-CG1 4.18Å; F57-I66 HydrophobicContact CE1-CG2 4.01Å |
| 58 | E | 93.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 69.5 Ų | 69.5 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.3 | 177.9 | -176.6 | 174.8 | -137.6 | 0 | 0 | 109 | D33 K34 T60 R64 R65 | D33-E58 WeakPolarHBondContact O-CA 3.45Å; K34-E58 IonicContact NZ-OE1 2.61Å; E58-T60 HydrophobicContact CG-CG2 4.14Å; E58-R64 WeakPolarHBondContact O-CA 3.26Å; E58-R65 HydrophobicContact CB-CB 4.39Å; E58-R65 PolarHBondContact N-O 3.27Å; E58-R65 PolarHBondContact O-N 3.42Å |
| 59 | I | 88.4 | Confident | 93.5 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 53% | 0.528 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.2 | 173.4 | -51.2 | 178.4 | 0 | 0 | 0 | 107.3 | D33 | D33-I59 HydrophobicContact CB-CB 3.83Å; D33-I59 HydrophobicContact CB-CD1 4.31Å; D33-I59 HydrophobicContact CB-CG1 4.23Å; D33-I59 PolarHBondContact O-N 2.82Å |
| 60 | T | 87.5 | Confident | 93.5 | Very high | 39 Ų | 39 | 77.6 Ų | 77.6 | 24% | 0.239 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 161 | 175.3 | 73.8 | 0 | 0 | 0 | 0 | 109.6 | E58 E62 G63 R65 | E58-T60 HydrophobicContact CG-CG2 4.14Å; T60-E62 PolarHBondContact O-N 2.89Å; T60-E62 VanDerWaalsContact O-N 3.07Å; T60-E62 PolarHBondContact OG1-N 2.96Å; T60-G63 WeakPolarHBondContact CA-O 3.43Å; T60-G63 WeakPolarHBondContact CB-O 3.32Å; T60-G63 PolarHBondContact N-O 3.15Å; T60-G63 PolarHBondContact O-N 2.93Å; T60-G63 VanDerWaalsContact O-O 3.12Å; T60-G63 PolarHBondContact OG1-N 3.19Å; T60-G63 PolarHBondContact OG1-O 2.99Å; T60-R65 HydrophobicContact CG2-CB 4.24Å |
| 61 | P | 86.5 | Confident | 93.4 | Very high | 142 Ų | 142 | 81.2 Ų | 81.2 | 92% | 0.922 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.6 | 173.5 | -24.6 | 34.9 | 0 | 0 | 0 | 113.8 | ||
| 62 | E | 85.3 | Confident | 93.4 | Very high | 195 Ų | 195 | 82.7 Ų | 82.7 | 91% | 0.911 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5.4 | -178.7 | -66 | 156.5 | -162.3 | 0 | 0 | 112.6 | T60 | T60-E62 PolarHBondContact O-N 2.89Å; T60-E62 VanDerWaalsContact O-N 3.07Å; T60-E62 PolarHBondContact OG1-N 2.96Å |
| 63 | G | 85.6 | Confident | 93.3 | Very high | 36 Ų | 36 | 85.7 Ų | 85.7 | 37% | 0.371 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.3 | -166.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T60 | T60-G63 WeakPolarHBondContact CA-O 3.43Å; T60-G63 WeakPolarHBondContact CB-O 3.32Å; T60-G63 PolarHBondContact N-O 3.15Å; T60-G63 PolarHBondContact O-N 2.93Å; T60-G63 VanDerWaalsContact O-O 3.12Å; T60-G63 PolarHBondContact OG1-N 3.19Å; T60-G63 PolarHBondContact OG1-O 2.99Å |
| 64 | R | 87.8 | Confident | 93.3 | Very high | 87 Ų | 87 | 81.6 Ų | 81.6 | 33% | 0.328 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.7 | 179.7 | -173.3 | 170.9 | 173.9 | -175.8 | -7.9 | 110.2 | F57 E58 I66 P89 | F57-R64 VanDerWaalsContact CD1-NE 3.27Å; E58-R64 WeakPolarHBondContact O-CA 3.26Å; R64-I66 HydrophobicContact CG-CG1 4.4Å; R64-P89 PolarHBondContact NH1-O 2.72Å; R64-P89 VanDerWaalsContact NH2-CD 3.35Å; R64-P89 PolarHBondContact NH2-O 3.1Å |
| 65 | R | 92.1 | Very high | 93.2 | Very high | 150 Ų | 150 | 85 Ų | 85 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 130.9 | 171.8 | -176.2 | 178.4 | -179.6 | 174.1 | 2 | 109.3 | F57 E58 T60 | F57-R65 WeakPolarHBondContact CA-O 3.46Å; E58-R65 HydrophobicContact CB-CB 4.39Å; E58-R65 PolarHBondContact N-O 3.27Å; E58-R65 PolarHBondContact O-N 3.42Å; T60-R65 HydrophobicContact CG2-CB 4.24Å |
| 66 | I | 94.2 | Very high | 93 | Very high | 95 Ų | 95 | 84.1 Ų | 84.1 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.5 | 177.3 | -50.5 | -176.5 | 0 | 0 | 0 | 108.5 | T55 E56 F57 R64 | T55-I66 HydrophobicContact CG2-CG2 3.58Å; E56-I66 CarbonylContact O-C 3.53Å; E56-I66 WeakPolarHBondContact O-CA 3.45Å; F57-I66 HydrophobicContact CD1-CD1 4.15Å; F57-I66 HydrophobicContact CD1-CG1 3.9Å; F57-I66 HydrophobicContact CD1-CG2 4.17Å; F57-I66 HydrophobicContact CE1-CD1 3.99Å; F57-I66 HydrophobicContact CE1-CG1 4.18Å; F57-I66 HydrophobicContact CE1-CG2 4.01Å; R64-I66 HydrophobicContact CG-CG1 4.4Å |
| 67 | T | 95.4 | Very high | 93 | Very high | 40 Ų | 40 | 88.3 Ų | 88.3 | 25% | 0.245 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.3 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 109.4 | T55 E56 L69 | T55-T67 WeakPolarHBondContact CA-O 3.18Å; E56-T67 PolarHBondContact N-O 3.31Å; E56-T67 PolarHBondContact O-N 2.91Å; T67-L69 HydrophobicContact CG2-CD2 4.13Å; T67-L69 HydrophobicContact CG2-CG 4.22Å |
| 68 | K | 96.5 | Very high | 92.9 | Very high | 171 Ų | 171 | 90.7 Ų | 90.7 | 74% | 0.743 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.3 | 173 | -67.9 | -170.6 | 175.7 | -172.4 | 0 | 110.2 | V54 | V54-K68 CarbonylContact O-C 3.56Å; V54-K68 VanDerWaalsContact O-CA 3.29Å; V54-K68 WeakPolarHBondContact O-CA 3.49Å |
| 69 | L | 97.1 | Very high | 93 | Very high | 64 Ų | 64 | 89 Ų | 89 | 34% | 0.335 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.1 | -177.5 | -60.3 | 170 | 0 | 0 | 0 | 108.8 | V54 T67 I72 | V54-L69 HydrophobicContact CB-CB 4.33Å; V54-L69 PolarHBondContact N-O 3.22Å; V54-L69 PolarHBondContact O-N 3.13Å; T67-L69 HydrophobicContact CG2-CD2 4.13Å; T67-L69 HydrophobicContact CG2-CG 4.22Å; L69-I72 HydrophobicContact CB-CG2 3.92Å; L69-I72 HydrophobicContact CD1-CG2 3.61Å; L69-I72 HydrophobicContact CG-CG2 4.39Å |
| 70 | D | 97 | Very high | 93.4 | Very high | 145 Ų | 145 | 87.9 Ų | 87.9 | 78% | 0.775 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | -46.2 | -176.8 | -61.8 | -28.2 | 0 | 0 | 0 | 111.6 | E52 D53 | E52-D70 CarbonylContact C-O 3.57Å; E52-D70 VanDerWaalsContact CA-O 3.23Å; E52-D70 WeakPolarHBondContact CA-O 3.48Å; D53-D70 PolarHBondContact N-O 3.46Å |
| 71 | Q | 96.6 | Very high | 93.8 | Very high | 126 Ų | 126 | 91 Ų | 91 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 142 | 178.8 | -171 | 176.9 | 69.5 | 0 | 0 | 110.8 | L41 V50 L51 | L41-Q71 VanDerWaalsContact CD1-NE2 3.32Å; V50-Q71 HydrophobicContact CG1-CG 4.26Å; L51-Q71 CarbonylContact O-C 3.56Å; L51-Q71 VanDerWaalsContact O-CA 3.25Å; L51-Q71 WeakPolarHBondContact O-CA 3.36Å; L51-Q71 WeakPolarHBondContact O-CG 3.23Å |
| 72 | I | 97.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 86.7 Ų | 86.7 | 16% | 0.164 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155.7 | 174.6 | 71.7 | 174.5 | 0 | 0 | 0 | 111.7 | I36 V50 L51 V54 L69 L74 | I36-I72 HydrophobicContact CD1-CD1 4.29Å; I36-I72 HydrophobicContact CG2-CD1 4.12Å; V50-I72 WeakPolarHBondContact CA-O 3.34Å; L51-I72 HydrophobicContact CB-CG1 4.12Å; L51-I72 HydrophobicContact CD1-CD1 4.34Å; L51-I72 PolarHBondContact N-O 2.71Å; L51-I72 PolarHBondContact O-N 3.1Å; V54-I72 HydrophobicContact CG1-CD1 3.99Å; V54-I72 HydrophobicContact CG2-CD1 4.43Å; V54-I72 HydrophobicContact CG2-CG1 4.13Å; L69-I72 HydrophobicContact CB-CG2 3.92Å; L69-I72 HydrophobicContact CD1-CG2 3.61Å; L69-I72 HydrophobicContact CG-CG2 4.39Å; I72-L74 HydrophobicContact CD1-CB 4.48Å |
| 73 | L | 97.3 | Very high | 94.7 | Very high | 133 Ų | 133 | 80.7 Ų | 80.7 | 70% | 0.696 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 117 | 159.6 | 177.7 | 66.2 | 0 | 0 | 0 | 108.4 | N48 M49 V50 | N48-L73 HydrophobicContact CB-CD1 4.42Å; M49-L73 CarbonylContact O-C 3.51Å; M49-L73 WeakPolarHBondContact O-CA 3.45Å; V50-L73 HydrophobicContact CG2-CD1 3.89Å |
| 74 | L | 96.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 82 Ų | 82 | 7% | 0.068 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.4 | -179.6 | -170.3 | 63.3 | 0 | 0 | 0 | 110.9 | I28 M30 I36 N48 M49 I72 I79 | I28-L74 HydrophobicContact CB-CD2 4.39Å; I28-L74 HydrophobicContact CD1-CD2 3.7Å; I28-L74 HydrophobicContact CG2-CD2 3.85Å; M30-L74 HydrophobicContact CE-CD1 3.7Å; M30-L74 HydrophobicContact SD-CD1 3.84Å; M30-L74 HydrophobicContact SD-CD2 4.02Å; M30-L74 HydrophobicContact SD-CG 4.26Å; I36-L74 HydrophobicContact CD1-CD1 3.44Å; I36-L74 VanDerWaalsContact CD1-CD1 3.44Å; I36-L74 HydrophobicContact CD1-CD2 3.99Å; I36-L74 HydrophobicContact CD1-CG 4.36Å; N48-L74 CarbonylContact C-O 3.57Å; N48-L74 VanDerWaalsContact CA-O 3.23Å; N48-L74 WeakPolarHBondContact CA-O 3.32Å; M49-L74 HydrophobicContact CB-CB 4.38Å; M49-L74 PolarHBondContact N-O 3.29Å; M49-L74 PolarHBondContact O-N 2.94Å; I72-L74 HydrophobicContact CD1-CB 4.48Å; L74-I79 HydrophobicContact CD2-CD1 3.96Å; L74-I79 HydrophobicContact CD2-CG1 4.07Å; L74-I79 HydrophobicContact CG-CD1 4.42Å; L74-I79 HydrophobicContact CG-CG1 4.48Å |
| 75 | N | 94.9 | Very high | 95.4 | Very high | 74 Ų | 74 | 80.5 Ų | 80.5 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 119.8 | 178.3 | -172.8 | -42.2 | 0 | 0 | 0 | 111.2 | N48 N77 N78 | N48-N75 WeakPolarHBondContact OD1-CA 3.42Å; N75-N77 PolarHBondContact O-N 2.99Å; N75-N77 VanDerWaalsContact OD1-CB 3.24Å; N75-N77 WeakPolarHBondContact OD1-CB 3.4Å; N75-N77 PolarHBondContact OD1-N 3.3Å; N75-N77 PolarHBondContact OD1-ND2 3.28Å; N75-N78 PolarHBondContact O-N 3Å |
| 76 | G | 93.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 73.9 Ų | 73.9 | 12% | 0.124 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -62.3 | -25.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V47 N48 N78 I79 | V47-G76 WeakPolarHBondContact O-CA 3.41Å; N48-G76 PolarHBondContact OD1-N 3.12Å; G76-N78 PolarHBondContact O-N 2.81Å; G76-N78 VanDerWaalsContact O-N 3.15Å; G76-I79 PolarHBondContact O-N 2.91Å |
| 77 | N | 95.1 | Very high | 94.9 | Very high | 114 Ų | 114 | 77.8 Ų | 77.8 | 61% | 0.61 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -63.8 | -23.2 | 179.6 | -70 | -40.7 | 0 | 0 | 0 | 113.4 | K31 N75 | K31-N77 VanDerWaalsContact CE-O 3.23Å; K31-N77 WeakPolarHBondContact CE-O 3.44Å; K31-N77 PolarHBondContact NZ-O 3.48Å; N75-N77 PolarHBondContact O-N 2.99Å; N75-N77 VanDerWaalsContact OD1-CB 3.24Å; N75-N77 WeakPolarHBondContact OD1-CB 3.4Å; N75-N77 PolarHBondContact OD1-N 3.3Å; N75-N77 PolarHBondContact OD1-ND2 3.28Å |
| 78 | N | 93.9 | Very high | 94.5 | Very high | 73 Ų | 73 | 76.7 Ų | 76.7 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -100.6 | -0.8 | -177.8 | -67.9 | -34.8 | 0 | 0 | 0 | 113.3 | M30 K31 N75 G76 | M30-N78 CarbonylContact C-O 3.55Å; M30-N78 VanDerWaalsContact CA-O 3.24Å; M30-N78 WeakPolarHBondContact CA-O 3.35Å; M30-N78 HydrophobicContact CE-CB 3.46Å; M30-N78 VanDerWaalsContact CE-CB 3.46Å; M30-N78 HydrophobicContact SD-CB 4.4Å; K31-N78 PolarHBondContact N-O 2.92Å; N75-N78 PolarHBondContact O-N 3Å; G76-N78 PolarHBondContact O-N 2.81Å; G76-N78 VanDerWaalsContact O-N 3.15Å |
| 79 | I | 95.5 | Very high | 93.9 | Very high | 26 Ų | 26 | 70.3 Ų | 70.3 | 13% | 0.133 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.4 | 177.9 | -62.7 | 179.7 | 0 | 0 | 0 | 109.4 | I28 M30 V47 M49 L74 G76 L82 | I28-I79 HydrophobicContact CG2-CB 4.46Å; I28-I79 HydrophobicContact CG2-CD1 4.24Å; I28-I79 HydrophobicContact CG2-CG1 3.97Å; I28-I79 HydrophobicContact CG2-CG2 3.93Å; M30-I79 HydrophobicContact SD-CG1 4.34Å; V47-I79 HydrophobicContact CG1-CD1 4.34Å; V47-I79 WeakPolarHBondContact O-CD1 3.45Å; M49-I79 HydrophobicContact CE-CD1 4.38Å; M49-I79 HydrophobicContact CG-CD1 4.16Å; M49-I79 HydrophobicContact SD-CD1 4.18Å; L74-I79 HydrophobicContact CD2-CD1 3.96Å; L74-I79 HydrophobicContact CD2-CG1 4.07Å; L74-I79 HydrophobicContact CG-CD1 4.42Å; L74-I79 HydrophobicContact CG-CG1 4.48Å; G76-I79 PolarHBondContact O-N 2.91Å; I79-L82 HydrophobicContact CG2-CD2 3.86Å; I79-L82 HydrophobicContact CG2-CG 4.03Å |
| 80 | T | 95.9 | Very high | 92.8 | Very high | 78 Ų | 78 | 76.4 Ų | 76.4 | 48% | 0.479 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -46 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | V29 M30 K31 | V29-T80 WeakPolarHBondContact O-CA 3.31Å; V29-T80 WeakPolarHBondContact O-CB 3.48Å; V29-T80 PolarHBondContact O-N 3.29Å; M30-T80 PolarHBondContact O-OG1 3.05Å; M30-T80 VanDerWaalsContact O-OG1 3.1Å; K31-T80 VanDerWaalsContact CA-OG1 3.26Å; K31-T80 WeakPolarHBondContact CA-OG1 3.36Å; K31-T80 WeakPolarHBondContact CG-OG1 3.35Å; K31-T80 PolarHBondContact N-OG1 2.86Å; K31-T80 VanDerWaalsContact N-OG1 3.13Å |
| 81 | M | 95.3 | Very high | 90.9 | Very high | 104 Ų | 104 | 78.9 Ų | 78.9 | 51% | 0.512 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151.5 | -179.8 | -66.9 | 179.9 | -70.6 | 0 | 0 | 111.9 | I28 V29 | I28-M81 WeakPolarHBondContact CA-O 3.45Å; V29-M81 HydrophobicContact CB-CB 4.14Å; V29-M81 HydrophobicContact CB-CE 4.07Å; V29-M81 HydrophobicContact CG1-CE 4.02Å; V29-M81 HydrophobicContact CG2-CB 4.35Å; V29-M81 HydrophobicContact CG2-CE 4.12Å; V29-M81 PolarHBondContact N-O 3Å; V29-M81 PolarHBondContact O-N 2.86Å; V29-M81 VanDerWaalsContact O-N 3.15Å |
| 82 | L | 95.8 | Very high | 90.7 | Very high | 53 Ų | 53 | 76.6 Ų | 76.6 | 28% | 0.277 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.8 | 176.7 | -64.1 | 169.9 | 0 | 0 | 0 | 108.3 | V18 I26 I28 V47 M49 I79 | V18-L82 HydrophobicContact CG2-CD1 3.7Å; I26-L82 HydrophobicContact CD1-CB 4.21Å; I26-L82 HydrophobicContact CD1-CD2 4.03Å; I28-L82 HydrophobicContact CB-CD2 4.3Å; I28-L82 HydrophobicContact CD1-CD2 3.89Å; I28-L82 HydrophobicContact CG1-CD2 3.73Å; I28-L82 HydrophobicContact CG2-CD2 3.96Å; V47-L82 HydrophobicContact CG1-CD1 4.34Å; M49-L82 HydrophobicContact CE-CD1 3.43Å; M49-L82 VanDerWaalsContact CE-CD1 3.43Å; M49-L82 HydrophobicContact CE-CD2 3.44Å; M49-L82 VanDerWaalsContact CE-CD2 3.44Å; M49-L82 HydrophobicContact CE-CG 4.08Å; M49-L82 HydrophobicContact SD-CD2 3.81Å; I79-L82 HydrophobicContact CG2-CD2 3.86Å; I79-L82 HydrophobicContact CG2-CG 4.03Å |
| 83 | I | 96.2 | Very high | 90.3 | Very high | 69 Ų | 69 | 78.9 Ų | 78.9 | 35% | 0.354 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 98.8 | -175.5 | -57.4 | 165.2 | 0 | 0 | 0 | 108 | H27 V29 G85 G86 | H27-I83 HydrophobicContact CB-CB 4.09Å; H27-I83 PolarHBondContact N-O 2.75Å; H27-I83 PolarHBondContact O-N 2.94Å; V29-I83 HydrophobicContact CG2-CD1 4.23Å; I83-G85 PolarHBondContact O-N 3.29Å; I83-G86 PolarHBondContact O-N 3.35Å |
| 84 | P | 95 | Very high | 89.9 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 41% | 0.409 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 132.2 | 174.8 | -25.1 | 36.4 | 0 | 0 | 0 | 111.6 | L17 C21 G86 | L17-P84 HydrophobicContact CD1-CG 4.49Å; L17-P84 HydrophobicContact CG-CG 4.49Å; C21-P84 WeakPolarHBondContact SG-CB 3.48Å; C21-P84 WeakPolarHBondContact SG-CG 3.49Å; P84-G86 PolarHBondContact O-N 3.03Å |
| 85 | G | 91.6 | Very high | 89.5 | Confident | 55 Ų | 55 | 79.6 Ų | 79.6 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 5.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | R25 I83 | R25-G85 VanDerWaalsContact O-CA 3.31Å; R25-G85 WeakPolarHBondContact O-CA 3.49Å; R25-G85 PolarHBondContact O-N 2.95Å; I83-G85 PolarHBondContact O-N 3.29Å |
| 86 | G | 89.4 | Confident | 89.2 | Confident | 12 Ų | 12 | 79.9 Ų | 79.9 | 12% | 0.124 | 46% | 0.457 | C | S | . | . | trans | -67.1 | 141.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I83 P84 | I83-G86 PolarHBondContact O-N 3.35Å; P84-G86 PolarHBondContact O-N 3.03Å | ||
| 87 | E | 87.6 | Confident | 88.9 | Confident | 176 Ų | 176 | 84.5 Ų | 84.5 | 82% | 0.822 | 48% | 0.48 | S | S | * | . | trans | -95.2 | 0.6 | 179.9 | -58.9 | -167.8 | 153 | 0 | 0 | 113.2 | ||||
| 88 | G | 86.4 | Confident | 88.5 | Confident | 18 Ų | 18 | 82.4 Ų | 82.4 | 19% | 0.186 | 47% | 0.47 | C | S | . | . | trans | 96 | -177.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V37 E90 | V37-G88 VanDerWaalsContact CG2-CA 3.43Å; G88-E90 PolarHBondContact O-N 3.38Å | ||
| 89 | P | 84.9 | Confident | 88.1 | Confident | 37 Ų | 37 | 83.1 Ų | 83.1 | 24% | 0.24 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -68.5 | 128.1 | 179.2 | 8.2 | -6.5 | 0 | 0 | 0 | 110.8 | E35 R64 | E35-P89 HydrophobicContact CB-CG 4.46Å; E35-P89 WeakPolarHBondContact OE2-CD 3.42Å; E35-P89 WeakPolarHBondContact OE2-CG 3.39Å; R64-P89 PolarHBondContact NH1-O 2.72Å; R64-P89 VanDerWaalsContact NH2-CD 3.35Å; R64-P89 PolarHBondContact NH2-O 3.1Å |
| 90 | E | 72.6 | Confident | 87.4 | Confident | 191 Ų | 191 | 87.8 Ų | 87.8 | 89% | 0.893 | 51% | 0.505 | S | S | * | . | trans | -54 | 137.3 | 169.3 | -66.4 | -172.5 | 162.6 | 0 | 0 | 109.3 | G88 | G88-E90 PolarHBondContact O-N 3.38Š| ||
| 91 | V | 58.7 | Low | 86.7 | Confident | 198 Ų | 198 | 88.7 Ų | 88.7 | 100% | 1.2 | 51% | 0.508 | S | S | * | . | trans | -71.7 | 0 | -178.3 | -113.7 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 91 of 91 residues in 93.4 ms
(Link to these results)