| 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 | 50 | Low | 60.9 | Low | 244 Ų | 244 | 122.5 Ų | 122.5 | 100% | 1.202 | 78% | 0.776 | S | S | * | * | 0 | 95.4 | 0 | -61.4 | -58 | -147.4 | 0 | 0 | 107.6 | |||||
| 2 | A | 45.5 | Very low | 62.7 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 128.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | T4 | A2-T4 PolarHBondContact O-N 2.9Š|
| 3 | A | 52.2 | Low | 64.9 | Low | 96 Ų | 96 | 117 Ų | 117 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.2 | 177 | 0 | 0 | 0 | 0 | 0 | 109.4 | P5 | A3-P5 WeakPolarHBondContact O-CD 3.28Š|
| 4 | T | 58.6 | Low | 66.8 | Low | 135 Ų | 135 | 115.9 Ų | 115.9 | 83% | 0.828 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 120.1 | 166.7 | 15.3 | 0 | 0 | 0 | 0 | 107.9 | A2 A6 | A2-T4 PolarHBondContact O-N 2.9Å; T4-A6 PolarHBondContact O-N 2.93Å |
| 5 | P | 60.7 | Low | 68.5 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 128.2 | 175.7 | 24.6 | -30.5 | 0 | 0 | 0 | 108.3 | A3 T7 | A3-P5 WeakPolarHBondContact O-CD 3.28Å; P5-T7 PolarHBondContact O-N 3.06Å |
| 6 | A | 59.2 | Low | 70 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | trans | -63.3 | 107.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | T4 N8 | T4-A6 PolarHBondContact O-N 2.93Å; A6-N8 PolarHBondContact O-N 3.39Å | ||
| 7 | T | 60.5 | Low | 71.3 | Confident | 105 Ų | 105 | 109.5 Ų | 109.5 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | trans | -60.9 | 123.3 | 172.4 | 8.9 | 0 | 0 | 0 | 0 | 108.1 | P5 | P5-T7 PolarHBondContact O-N 3.06Š| ||
| 8 | N | 70.1 | Confident | 72.6 | Confident | 92 Ų | 92 | 104.2 Ų | 104.2 | 49% | 0.492 | 63% | 0.633 | S | S | . | * | trans | -58.7 | 126.7 | 174 | -169.7 | -14.2 | 0 | 0 | 0 | 107.4 | A6 S10 Q11 | A6-N8 PolarHBondContact O-N 3.39Å; N8-S10 PolarHBondContact ND2-OG 3.08Å; N8-S10 PolarHBondContact O-N 3.27Å; N8-S10 PolarHBondContact OD1-OG 3.13Å; N8-Q11 HydrophobicContact CB-CB 4.27Å; N8-Q11 WeakPolarHBondContact O-CB 3.31Å; N8-Q11 PolarHBondContact O-N 3.07Å | ||
| 9 | P | 63.2 | Low | 73.8 | Confident | 139 Ų | 139 | 103.6 Ų | 103.6 | 90% | 0.903 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -10.6 | -178.4 | 22 | -34.3 | 0 | 0 | 0 | 114 | ||
| 10 | S | 73.1 | Confident | 74.9 | Confident | 95 Ų | 95 | 104.5 Ų | 104.5 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -3.1 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 114.8 | N8 L12 | N8-S10 PolarHBondContact ND2-OG 3.08Å; N8-S10 PolarHBondContact O-N 3.27Å; N8-S10 PolarHBondContact OD1-OG 3.13Å; S10-L12 PolarHBondContact O-N 2.91Å |
| 11 | Q | 76.9 | Confident | 75.8 | Confident | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | trans | -98.2 | 92.8 | -175.9 | -161.8 | 175.7 | -4.4 | 0 | 0 | 110.2 | N8 | N8-Q11 HydrophobicContact CB-CB 4.27Å; N8-Q11 WeakPolarHBondContact O-CB 3.31Å; N8-Q11 PolarHBondContact O-N 3.07Å | ||
| 12 | L | 82.9 | Confident | 78 | Confident | 79 Ų | 79 | 91.6 Ų | 91.6 | 41% | 0.414 | 55% | 0.554 | S | S | . | * | trans | -80.6 | 124.8 | 175.2 | -174.8 | 66 | 0 | 0 | 0 | 110.1 | S10 E16 L17 K20 | S10-L12 PolarHBondContact O-N 2.91Å; L12-E16 HydrophobicContact CD1-CB 4.13Å; L12-E16 VanDerWaalsContact CD1-CD 3.5Å; L12-E16 HydrophobicContact CD1-CG 3.95Å; L12-E16 WeakPolarHBondContact CD1-OE1 3.33Å; L12-L17 HydrophobicContact CD2-CB 3.76Å; L12-L17 HydrophobicContact CD2-CD1 3.79Å; L12-L17 HydrophobicContact CD2-CD2 4.42Å; L12-L17 HydrophobicContact CD2-CG 4.18Å; L12-L17 HydrophobicContact CG-CB 4.13Å; L12-K20 HydrophobicContact CD1-CD 4.4Å; L12-K20 VanDerWaalsContact CD1-NZ 3.32Å | ||
| 13 | L | 90.8 | Very high | 80.5 | Confident | 95 Ų | 95 | 89.1 Ų | 89.1 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | trans | -76.1 | 144.4 | 174 | -64.4 | 177.3 | 0 | 0 | 0 | 110.4 | L15 E16 L17 | L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.87Å; L13-E16 HydrophobicContact CB-CB 3.99Å; L13-E16 WeakPolarHBondContact O-CA 3.21Å; L13-E16 WeakPolarHBondContact O-CB 3.46Å; L13-E16 PolarHBondContact O-N 2.8Å; L13-L17 PolarHBondContact O-N 2.76Å | ||
| 14 | P | 91.1 | Very high | 82.6 | Confident | 101 Ų | 101 | 87.4 Ų | 87.4 | 66% | 0.656 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -55.3 | -44 | 179.9 | -28.6 | 35.6 | 0 | 0 | 0 | 113.4 | E16 L17 V18 | P14-E16 VanDerWaalsContact C-N 3.32Å; P14-E16 PolarHBondContact O-N 3.29Å; P14-L17 WeakPolarHBondContact O-CB 3.47Å; P14-L17 PolarHBondContact O-N 2.76Å; P14-V18 WeakPolarHBondContact O-CG2 3.46Å; P14-V18 PolarHBondContact O-N 2.95Å; P14-V18 VanDerWaalsContact O-N 3.13Å |
| 15 | L | 92.9 | Very high | 84.4 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.7 | -30.2 | 177.7 | -61.4 | -178.9 | 0 | 0 | 0 | 112.6 | L13 L17 V18 D19 F43 V47 | L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.87Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-V18 PolarHBondContact O-N 2.84Å; L15-D19 WeakPolarHBondContact O-CB 3.48Å; L15-D19 PolarHBondContact O-N 2.86Å; L15-F43 HydrophobicContact CD2-CE2 4.12Å; L15-V47 HydrophobicContact CD2-CG2 4.31Å |
| 16 | E | 92.9 | Very high | 86.2 | Confident | 77 Ų | 77 | 81 Ų | 81 | 36% | 0.36 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -35.3 | 173.3 | -170.4 | -164.1 | 152 | 0 | 0 | 111.1 | L12 L13 P14 K20 | L12-E16 HydrophobicContact CD1-CB 4.13Å; L12-E16 VanDerWaalsContact CD1-CD 3.5Å; L12-E16 HydrophobicContact CD1-CG 3.95Å; L12-E16 WeakPolarHBondContact CD1-OE1 3.33Å; L13-E16 HydrophobicContact CB-CB 3.99Å; L13-E16 WeakPolarHBondContact O-CA 3.21Å; L13-E16 WeakPolarHBondContact O-CB 3.46Å; L13-E16 PolarHBondContact O-N 2.8Å; P14-E16 VanDerWaalsContact C-N 3.32Å; P14-E16 PolarHBondContact O-N 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.38Å; E16-K20 PolarHBondContact O-N 2.96Å; E16-K20 VanDerWaalsContact O-N 3.09Å; E16-K20 WeakPolarHBondContact OE1-CE 3.27Å; E16-K20 IonicContact OE1-NZ 2.89Å; E16-K20 PolarHBondContact OE1-NZ 2.62Å |
| 17 | L | 92.1 | Very high | 88 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 39% | 0.387 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 172.2 | 177.9 | 60.9 | 0 | 0 | 0 | 111.1 | L12 L13 P14 L15 K20 C21 P84 | L12-L17 HydrophobicContact CD2-CB 3.76Å; L12-L17 HydrophobicContact CD2-CD1 3.79Å; L12-L17 HydrophobicContact CD2-CD2 4.42Å; L12-L17 HydrophobicContact CD2-CG 4.18Å; L12-L17 HydrophobicContact CG-CB 4.13Å; L13-L17 PolarHBondContact O-N 2.76Å; P14-L17 WeakPolarHBondContact O-CB 3.47Å; P14-L17 PolarHBondContact O-N 2.76Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L17-K20 PolarHBondContact O-N 2.94Å; L17-C21 PolarHBondContact O-N 3.09Å; L17-C21 PolarHBondContact O-SG 2.8Å; L17-P84 HydrophobicContact CD1-CG 4.39Å; L17-P84 HydrophobicContact CG-CG 4.45Å |
| 18 | V | 94.2 | Very high | 89.7 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | P14 L15 K20 C21 L40 F43 M49 L82 | P14-V18 WeakPolarHBondContact O-CG2 3.46Å; P14-V18 PolarHBondContact O-N 2.95Å; P14-V18 VanDerWaalsContact O-N 3.13Å; L15-V18 PolarHBondContact O-N 2.84Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 2.8Å; V18-C21 WeakPolarHBondContact O-CA 3.38Å; V18-C21 VanDerWaalsContact O-CB 3.29Å; V18-C21 WeakPolarHBondContact O-CB 3.07Å; V18-C21 PolarHBondContact O-N 3.47Å; V18-L40 HydrophobicContact CG1-CD2 3.96Å; V18-F43 HydrophobicContact CB-CE1 4.25Å; V18-F43 HydrophobicContact CB-CZ 4.3Å; V18-F43 HydrophobicContact CG1-CD1 3.68Å; V18-F43 HydrophobicContact CG1-CD2 4.33Å; V18-F43 HydrophobicContact CG1-CE1 3.78Å; V18-F43 HydrophobicContact CG1-CE2 4.43Å; V18-F43 HydrophobicContact CG1-CG 3.99Å; V18-F43 HydrophobicContact CG1-CZ 4.16Å; V18-M49 HydrophobicContact CG1-CE 3.9Å; V18-L82 HydrophobicContact CG2-CD1 3.7Å |
| 19 | D | 95.6 | Very high | 90.9 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 174.3 | -174.5 | 72.1 | 0 | 0 | 0 | 112.1 | L15 C21 I22 F43 | L15-D19 WeakPolarHBondContact O-CB 3.48Å; L15-D19 PolarHBondContact O-N 2.86Å; D19-C21 PolarHBondContact O-N 3.37Å; D19-C21 VanDerWaalsContact O-N 3.1Å; D19-I22 WeakPolarHBondContact O-CB 3.34Å; D19-I22 WeakPolarHBondContact O-CG1 3.49Å; D19-I22 PolarHBondContact O-N 2.98Å; D19-I22 VanDerWaalsContact O-N 3.09Å; D19-F43 HydrophobicContact CB-CE1 4.19Å; D19-F43 HydrophobicContact CB-CZ 4.37Å |
| 20 | K | 94.6 | Very high | 92.4 | Very high | 121 Ų | 121 | 63.1 Ų | 63.1 | 53% | 0.526 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.3 | 173.9 | -72.5 | 173.4 | -174.9 | 168.2 | 0 | 114.1 | L12 E16 L17 V18 | L12-K20 HydrophobicContact CD1-CD 4.4Å; L12-K20 VanDerWaalsContact CD1-NZ 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.38Å; E16-K20 PolarHBondContact O-N 2.96Å; E16-K20 VanDerWaalsContact O-N 3.09Å; E16-K20 WeakPolarHBondContact OE1-CE 3.27Å; E16-K20 IonicContact OE1-NZ 2.89Å; E16-K20 PolarHBondContact OE1-NZ 2.62Å; L17-K20 PolarHBondContact O-N 2.94Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 2.8Å |
| 21 | C | 95.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 5% | 0.054 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -5.6 | 177.5 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | L17 V18 D19 G23 S24 I26 L40 P84 | L17-C21 PolarHBondContact O-N 3.09Å; L17-C21 PolarHBondContact O-SG 2.8Å; V18-C21 WeakPolarHBondContact O-CA 3.38Å; V18-C21 VanDerWaalsContact O-CB 3.29Å; V18-C21 WeakPolarHBondContact O-CB 3.07Å; V18-C21 PolarHBondContact O-N 3.47Å; D19-C21 PolarHBondContact O-N 3.37Å; D19-C21 VanDerWaalsContact O-N 3.1Å; C21-G23 PolarHBondContact O-N 2.85Å; C21-S24 WeakPolarHBondContact O-CA 3.38Å; C21-S24 WeakPolarHBondContact O-CB 3.46Å; C21-S24 PolarHBondContact O-N 3.36Å; C21-I26 HydrophobicContact CB-CD1 4.45Å; C21-L40 HydrophobicContact CB-CD2 4.1Å; C21-P84 WeakPolarHBondContact SG-CB 3.48Å; C21-P84 WeakPolarHBondContact SG-CG 3.47Å |
| 22 | I | 96.9 | Very high | 93.8 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 36% | 0.359 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 134.5 | 176.4 | -63.3 | 171.3 | 0 | 0 | 0 | 109.5 | D19 S24 L40 F43 | D19-I22 WeakPolarHBondContact O-CB 3.34Å; D19-I22 WeakPolarHBondContact O-CG1 3.49Å; D19-I22 PolarHBondContact O-N 2.98Å; D19-I22 VanDerWaalsContact O-N 3.09Å; I22-S24 PolarHBondContact O-N 3.06Å; I22-L40 CarbonylContact C-O 3.57Å; I22-L40 WeakPolarHBondContact CA-O 3.42Å; I22-L40 HydrophobicContact CG1-CD2 4.05Å; I22-L40 HydrophobicContact CG1-CG 4.26Å; I22-F43 HydrophobicContact CD1-CD1 4.35Å; I22-F43 HydrophobicContact CD1-CE1 4.18Å |
| 23 | G | 96.8 | Very high | 93.9 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 56% | 0.557 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | -1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C21 L40 | C21-G23 PolarHBondContact O-N 2.85Å; G23-L40 PolarHBondContact N-O 3.01Å |
| 24 | S | 97.1 | Very high | 94 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 42% | 0.42 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -108.5 | 158.4 | 177.2 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | C21 I22 T39 L40 | C21-S24 WeakPolarHBondContact O-CA 3.38Å; C21-S24 WeakPolarHBondContact O-CB 3.46Å; C21-S24 PolarHBondContact O-N 3.36Å; I22-S24 PolarHBondContact O-N 3.06Å; S24-T39 WeakPolarHBondContact O-CA 3.45Å; S24-L40 PolarHBondContact O-N 2.85Å |
| 25 | R | 96.7 | Very high | 94.2 | Very high | 112 Ų | 112 | 61 Ų | 61 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 134.6 | 172.5 | -174.1 | 150.6 | -103.7 | 146 | -3.2 | 109.7 | V37 G38 D53 G85 | R25-V37 HydrophobicContact CG-CG1 3.8Å; R25-G38 CarbonylContact C-O 3.6Å; R25-G38 WeakPolarHBondContact CA-O 3.47Å; R25-D53 PolarHBondContact NH2-O 3.07Å; R25-D53 VanDerWaalsContact NH2-O 3.13Å; R25-G85 VanDerWaalsContact O-CA 3.3Å; R25-G85 WeakPolarHBondContact O-CA 3.33Å; R25-G85 PolarHBondContact O-N 2.75Å |
| 26 | I | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143 | 178.2 | -165 | 167.2 | 0 | 0 | 0 | 109.1 | C21 I28 V37 G38 L40 L51 L82 | C21-I26 HydrophobicContact CB-CD1 4.45Å; I26-I28 HydrophobicContact CG1-CG1 4.36Å; I26-I28 HydrophobicContact CG2-CD1 4.24Å; I26-I28 HydrophobicContact CG2-CG1 4.13Å; I26-V37 WeakPolarHBondContact O-CA 3.47Å; I26-G38 PolarHBondContact N-O 2.86Å; I26-G38 PolarHBondContact O-N 2.89Å; I26-L40 HydrophobicContact CD1-CD2 4.37Å; I26-L40 HydrophobicContact CG2-CB 4Å; I26-L51 HydrophobicContact CG2-CD2 3.86Å; I26-L82 HydrophobicContact CD1-CB 4.24Å; I26-L82 HydrophobicContact CD1-CD2 4.07Å |
| 27 | H | 97.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.051 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.2 | 171.8 | 175.2 | -149.7 | 0 | 0 | 0 | 109.5 | E35 I36 V37 I83 | H27-E35 IonicContact CE1-OE2 2.8Å; H27-E35 PolarHBondContact CE1-OE2 2.82Å; H27-E35 WeakPolarHBondContact NE2-CB 3.48Å; H27-E35 IonicContact NE2-OE2 2.62Å; H27-E35 PolarHBondContact NE2-OE2 3.01Å; H27-I36 CarbonylContact C-O 3.48Å; H27-I36 WeakPolarHBondContact CA-O 3.47Å; H27-V37 HydrophobicContact CB-CG2 4.02Å; H27-V37 VanDerWaalsContact CD2-CG2 3.49Å; H27-V37 WeakPolarHBondContact CD2-CG2 3.41Å; H27-I83 HydrophobicContact CB-CB 4.09Å; H27-I83 PolarHBondContact N-O 2.83Å; H27-I83 PolarHBondContact O-N 3.02Å |
| 28 | I | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.9 | -174.2 | -51.8 | -171.1 | 0 | 0 | 0 | 109.1 | I26 E35 I36 M49 L51 L74 I79 M81 L82 | I26-I28 HydrophobicContact CG1-CG1 4.36Å; I26-I28 HydrophobicContact CG2-CD1 4.24Å; I26-I28 HydrophobicContact CG2-CG1 4.13Å; I28-E35 CarbonylContact O-C 3.57Å; I28-E35 WeakPolarHBondContact O-CA 3.32Å; I28-I36 HydrophobicContact CB-CB 4.38Å; I28-I36 PolarHBondContact N-O 3.3Å; I28-I36 PolarHBondContact O-N 3.23Å; I28-M49 HydrophobicContact CD1-SD 3.45Å; I28-M49 WeakPolarHBondContact CD1-SD 3.37Å; I28-L51 HydrophobicContact CD1-CD1 3.85Å; I28-L51 HydrophobicContact CD1-CD2 4.38Å; I28-L74 HydrophobicContact CB-CD2 4.42Å; I28-L74 HydrophobicContact CD1-CD2 3.66Å; I28-L74 HydrophobicContact CG2-CD2 3.91Å; I28-I79 HydrophobicContact CG2-CB 4.44Å; I28-I79 HydrophobicContact CG2-CD1 4.21Å; I28-I79 HydrophobicContact CG2-CG1 3.94Å; I28-I79 HydrophobicContact CG2-CG2 3.96Å; I28-M81 WeakPolarHBondContact CA-O 3.29Å; I28-L82 HydrophobicContact CB-CD2 4.26Å; I28-L82 HydrophobicContact CD1-CD2 3.89Å; I28-L82 HydrophobicContact CG1-CD2 3.7Å; I28-L82 HydrophobicContact CG2-CD2 3.94Å |
| 29 | V | 95.3 | Very high | 95 | Very high | 26 Ų | 26 | 50.2 Ų | 50.2 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.1 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | E35 T80 M81 I83 | V29-E35 HydrophobicContact CB-CG 4.42Å; V29-E35 HydrophobicContact CG1-CG 4.16Å; V29-E35 HydrophobicContact CG2-CG 4.2Å; V29-T80 WeakPolarHBondContact O-CA 3.47Å; V29-T80 WeakPolarHBondContact O-CB 3.35Å; V29-T80 PolarHBondContact O-N 2.95Å; V29-M81 HydrophobicContact CB-CB 4.16Å; V29-M81 HydrophobicContact CB-CE 4.21Å; V29-M81 HydrophobicContact CG1-CE 4.14Å; V29-M81 HydrophobicContact CG2-CB 4.34Å; V29-M81 HydrophobicContact CG2-CE 4.25Å; V29-M81 PolarHBondContact N-O 3.36Å; V29-M81 PolarHBondContact O-N 2.75Å; V29-I83 HydrophobicContact CG2-CD1 4.26Å |
| 30 | M | 94.9 | Very high | 95.1 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 164.6 | 178.9 | -56 | -97.8 | -74.4 | 0 | 0 | 111 | N32 K34 I36 L74 N78 I79 | M30-N32 VanDerWaalsContact C-N 3.26Å; M30-N32 PolarHBondContact O-N 2.8Å; M30-K34 WeakPolarHBondContact CA-O 3.5Å; M30-K34 HydrophobicContact CB-CB 4.18Å; M30-K34 WeakPolarHBondContact CB-O 3.33Å; M30-K34 HydrophobicContact CG-CB 4.45Å; M30-K34 HydrophobicContact CG-CG 4.32Å; M30-K34 WeakPolarHBondContact CG-O 3.3Å; M30-K34 PolarHBondContact N-O 3.43Å; M30-I36 HydrophobicContact CG-CD1 4.27Å; M30-I36 HydrophobicContact SD-CD1 4.32Å; M30-L74 HydrophobicContact CE-CD1 4.01Å; M30-L74 HydrophobicContact SD-CD1 3.81Å; M30-L74 HydrophobicContact SD-CD2 4.28Å; M30-L74 HydrophobicContact SD-CG 4.35Å; M30-N78 CarbonylContact C-O 3.56Å; M30-N78 VanDerWaalsContact CA-O 3.28Å; M30-N78 WeakPolarHBondContact CA-O 3.47Å; M30-N78 HydrophobicContact CE-CB 3.77Å; M30-N78 HydrophobicContact SD-CB 4.03Å; M30-I79 HydrophobicContact SD-CG1 4.46Å |
| 31 | K | 91.8 | Very high | 95.3 | Very high | 129 Ų | 129 | 43.1 Ų | 43.1 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -63.8 | -20.6 | 179 | -69.7 | 174 | -179.1 | 163.3 | 0 | 115.6 | N77 N78 T80 | K31-N77 PolarHBondContact NZ-O 3.28Å; K31-N78 PolarHBondContact N-O 2.81Å; K31-T80 WeakPolarHBondContact CG-OG1 3.49Å; K31-T80 PolarHBondContact N-OG1 2.95Å |
| 32 | N | 86.3 | Confident | 95.4 | Very high | 119 Ų | 119 | 43.5 Ų | 43.5 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -113.8 | 47.6 | -166.3 | -60.9 | -11.5 | 0 | 0 | 0 | 113 | M30 K34 | M30-N32 VanDerWaalsContact C-N 3.26Å; M30-N32 PolarHBondContact O-N 2.8Å; N32-K34 PolarHBondContact O-N 3Å |
| 33 | D | 85.4 | Confident | 95.4 | Very high | 110 Ų | 110 | 42.9 Ų | 42.9 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 51 | 33.5 | -178.6 | -55.5 | -44.3 | 0 | 0 | 0 | 113.5 | I59 | D33-I59 HydrophobicContact CB-CB 4.06Å; D33-I59 HydrophobicContact CB-CD1 4.32Å; D33-I59 HydrophobicContact CB-CG1 4.4Å; D33-I59 PolarHBondContact O-N 3.13Å; D33-I59 VanDerWaalsContact O-N 3.09Å |
| 34 | K | 92.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 21% | 0.213 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.9 | -179.6 | 174.7 | 169.6 | 165.6 | 157.5 | 0 | 109 | M30 N32 I36 E56 F57 | M30-K34 WeakPolarHBondContact CA-O 3.5Å; M30-K34 HydrophobicContact CB-CB 4.18Å; M30-K34 WeakPolarHBondContact CB-O 3.33Å; M30-K34 HydrophobicContact CG-CB 4.45Å; M30-K34 HydrophobicContact CG-CG 4.32Å; M30-K34 WeakPolarHBondContact CG-O 3.3Å; M30-K34 PolarHBondContact N-O 3.43Å; N32-K34 PolarHBondContact O-N 3Å; K34-I36 HydrophobicContact CG-CG1 4.41Å; K34-E56 HydrophobicContact CD-CG 4.29Å; K34-E56 WeakPolarHBondContact CD-OE1 3.46Å; K34-E56 WeakPolarHBondContact CE-OE1 3.33Å; K34-E56 WeakPolarHBondContact CE-OE2 3.42Å; K34-E56 HydrophobicContact CG-CG 4.29Å; K34-E56 IonicContact NZ-OE1 2.69Å; K34-E56 PolarHBondContact NZ-OE1 3.1Å; K34-E56 IonicContact NZ-OE2 2.92Å; K34-E56 PolarHBondContact NZ-OE2 3.45Å; K34-F57 CarbonylContact C-O 3.52Å; K34-F57 WeakPolarHBondContact CA-O 3.13Å |
| 35 | E | 95.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.9 | -177.5 | -74.8 | 177.8 | -109.3 | 0 | 0 | 108.9 | H27 I28 V29 F57 P89 | H27-E35 IonicContact CE1-OE2 2.8Å; H27-E35 PolarHBondContact CE1-OE2 2.82Å; H27-E35 WeakPolarHBondContact NE2-CB 3.48Å; H27-E35 IonicContact NE2-OE2 2.62Å; H27-E35 PolarHBondContact NE2-OE2 3.01Å; I28-E35 CarbonylContact O-C 3.57Å; I28-E35 WeakPolarHBondContact O-CA 3.32Å; V29-E35 HydrophobicContact CB-CG 4.42Å; V29-E35 HydrophobicContact CG1-CG 4.16Å; V29-E35 HydrophobicContact CG2-CG 4.2Å; E35-F57 HydrophobicContact CB-CB 4.22Å; E35-F57 HydrophobicContact CB-CD2 4.5Å; E35-F57 PolarHBondContact N-O 2.83Å; E35-F57 PolarHBondContact O-N 3.43Å; E35-P89 WeakPolarHBondContact OE2-CG 3.45Å |
| 36 | I | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 124.5 | -172.6 | -57.8 | 177.4 | 0 | 0 | 0 | 108.3 | H27 I28 M30 K34 L51 V54 I72 L74 | H27-I36 CarbonylContact C-O 3.48Å; H27-I36 WeakPolarHBondContact CA-O 3.47Å; I28-I36 HydrophobicContact CB-CB 4.38Å; I28-I36 PolarHBondContact N-O 3.3Å; I28-I36 PolarHBondContact O-N 3.23Å; M30-I36 HydrophobicContact CG-CD1 4.27Å; M30-I36 HydrophobicContact SD-CD1 4.32Å; K34-I36 HydrophobicContact CG-CG1 4.41Å; I36-L51 HydrophobicContact CG2-CD1 3.75Å; I36-V54 HydrophobicContact CG2-CG1 3.4Å; I36-V54 VanDerWaalsContact CG2-CG1 3.4Å; I36-I72 HydrophobicContact CD1-CD1 4.47Å; I36-I72 HydrophobicContact CG2-CD1 4.24Å; I36-L74 HydrophobicContact CD1-CD1 3.4Å; I36-L74 VanDerWaalsContact CD1-CD1 3.4Å; I36-L74 HydrophobicContact CD1-CD2 3.9Å; I36-L74 HydrophobicContact CD1-CG 4.29Å |
| 37 | V | 97.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.2 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | R25 I26 H27 V54 T55 F57 G88 | R25-V37 HydrophobicContact CG-CG1 3.8Å; I26-V37 WeakPolarHBondContact O-CA 3.47Å; H27-V37 HydrophobicContact CB-CG2 4.02Å; H27-V37 VanDerWaalsContact CD2-CG2 3.49Å; H27-V37 WeakPolarHBondContact CD2-CG2 3.41Å; V37-V54 CarbonylContact O-C 3.55Å; V37-V54 WeakPolarHBondContact O-CA 3.29Å; V37-T55 PolarHBondContact N-O 2.87Å; V37-T55 PolarHBondContact O-N 2.94Å; V37-F57 HydrophobicContact CB-CE2 4.25Å; V37-F57 HydrophobicContact CG2-CD2 4.37Å; V37-F57 HydrophobicContact CG2-CE2 3.75Å; V37-G88 VanDerWaalsContact CG2-CA 3.46Å |
| 38 | G | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 175.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | R25 I26 E52 | R25-G38 CarbonylContact C-O 3.6Å; R25-G38 WeakPolarHBondContact CA-O 3.47Å; I26-G38 PolarHBondContact N-O 2.86Å; I26-G38 PolarHBondContact O-N 2.89Å; G38-E52 WeakPolarHBondContact CA-O 3.48Å |
| 39 | T | 97.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 13% | 0.129 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.3 | 171.6 | -57.4 | 0 | 0 | 0 | 0 | 109 | S24 L41 L51 E52 | S24-T39 WeakPolarHBondContact O-CA 3.45Å; T39-L41 PolarHBondContact O-N 2.94Å; T39-L51 VanDerWaalsContact O-CA 3.29Å; T39-L51 WeakPolarHBondContact O-CA 3.45Å; T39-E52 HydrophobicContact CG2-CG 4.25Å; T39-E52 PolarHBondContact N-O 3.09Å; T39-E52 PolarHBondContact O-N 3.02Å |
| 40 | L | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.8 | 179.6 | 179.1 | 62.7 | 0 | 0 | 0 | 110.5 | V18 C21 I22 G23 S24 I26 G42 M49 L51 | V18-L40 HydrophobicContact CG1-CD2 3.96Å; C21-L40 HydrophobicContact CB-CD2 4.1Å; I22-L40 CarbonylContact C-O 3.57Å; I22-L40 WeakPolarHBondContact CA-O 3.42Å; I22-L40 HydrophobicContact CG1-CD2 4.05Å; I22-L40 HydrophobicContact CG1-CG 4.26Å; G23-L40 PolarHBondContact N-O 3.01Å; S24-L40 PolarHBondContact O-N 2.85Å; I26-L40 HydrophobicContact CD1-CD2 4.37Å; I26-L40 HydrophobicContact CG2-CB 4Å; L40-G42 WeakPolarHBondContact CD1-O 3.13Å; L40-M49 HydrophobicContact CD1-CB 4.03Å; L40-M49 HydrophobicContact CD1-CG 4.19Å; L40-M49 HydrophobicContact CD1-SD 3.94Å; L40-L51 HydrophobicContact CB-CD2 4.17Å; L40-L51 HydrophobicContact CD1-CD2 3.82Å |
| 41 | L | 98.1 | Very high | 95.2 | Very high | 64 Ų | 64 | 52.7 Ų | 52.7 | 34% | 0.335 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -28.8 | 175.3 | -67.5 | -176.1 | 0 | 0 | 0 | 112.8 | T39 V50 E52 Q71 | T39-L41 PolarHBondContact O-N 2.94Å; L41-V50 HydrophobicContact CB-CB 4.17Å; L41-V50 HydrophobicContact CB-CG1 4.06Å; L41-V50 WeakPolarHBondContact CB-O 3.28Å; L41-V50 HydrophobicContact CD1-CG1 4.01Å; L41-V50 PolarHBondContact N-O 2.92Å; L41-E52 HydrophobicContact CD1-CB 3.93Å; L41-E52 HydrophobicContact CD1-CG 4.1Å; L41-E52 VanDerWaalsContact CD2-CD 3.49Å; L41-E52 HydrophobicContact CD2-CG 3.96Å; L41-E52 HydrophobicContact CG-CB 4.27Å; L41-E52 HydrophobicContact CG-CG 3.96Å; L41-Q71 VanDerWaalsContact CD1-NE2 3.33Å |
| 42 | G | 97.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L40 M49 V50 | L40-G42 WeakPolarHBondContact CD1-O 3.13Å; G42-M49 WeakPolarHBondContact O-CA 3.45Å; G42-V50 PolarHBondContact O-N 2.76Å |
| 43 | F | 97.8 | Very high | 96 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 165.3 | 177.4 | 70.3 | -76.5 | 0 | 0 | 0 | 110.7 | L15 V18 D19 I22 N48 M49 | L15-F43 HydrophobicContact CD2-CE2 4.12Å; V18-F43 HydrophobicContact CB-CE1 4.25Å; V18-F43 HydrophobicContact CB-CZ 4.3Å; V18-F43 HydrophobicContact CG1-CD1 3.68Å; V18-F43 HydrophobicContact CG1-CD2 4.33Å; V18-F43 HydrophobicContact CG1-CE1 3.78Å; V18-F43 HydrophobicContact CG1-CE2 4.43Å; V18-F43 HydrophobicContact CG1-CG 3.99Å; V18-F43 HydrophobicContact CG1-CZ 4.16Å; D19-F43 HydrophobicContact CB-CE1 4.19Å; D19-F43 HydrophobicContact CB-CZ 4.37Å; I22-F43 HydrophobicContact CD1-CD1 4.35Å; I22-F43 HydrophobicContact CD1-CE1 4.18Å; F43-N48 CarbonylContact C-O 3.58Å; F43-N48 WeakPolarHBondContact CA-O 3.49Å; F43-N48 WeakPolarHBondContact CB-O 3.43Å; F43-M49 HydrophobicContact CB-CG 4.02Å |
| 44 | D | 95.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | trans | -111.4 | -179.7 | 174.6 | 71.6 | 5.9 | 0 | 0 | 0 | 112.6 | F46 V47 N48 | D44-F46 PolarHBondContact O-N 2.77Å; D44-F46 VanDerWaalsContact O-N 3.11Å; D44-F46 VanDerWaalsContact OD1-C 3.3Å; D44-F46 WeakPolarHBondContact OD1-CA 3.48Å; D44-F46 WeakPolarHBondContact OD1-CB 3.26Å; D44-F46 PolarHBondContact OD1-N 2.84Å; D44-V47 PolarHBondContact O-N 3.25Å; D44-V47 PolarHBondContact OD1-N 2.97Å; D44-N48 PolarHBondContact N-O 2.91Å; D44-N48 VanDerWaalsContact N-O 3.13Å; D44-N48 WeakPolarHBondContact OD1-CB 3.19Å; D44-N48 PolarHBondContact OD1-N 2.87Å; D44-N48 PolarHBondContact OD1-ND2 3.22Å; D44-N48 PolarHBondContact OD2-ND2 2.82Å | ||
| 45 | D | 93.1 | Very high | 96.8 | Very high | 149 Ų | 149 | 42.6 Ų | 42.6 | 80% | 0.797 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -20.1 | 179.1 | -66.4 | -27.3 | 0 | 0 | 0 | 113.7 | ||
| 46 | F | 93.9 | Very high | 96.7 | Very high | 159 Ų | 159 | 41.9 Ų | 41.9 | 70% | 0.697 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 4.7 | 176.4 | -58.1 | -74 | 0 | 0 | 0 | 112.5 | D44 N48 | D44-F46 PolarHBondContact O-N 2.77Å; D44-F46 VanDerWaalsContact O-N 3.11Å; D44-F46 VanDerWaalsContact OD1-C 3.3Å; D44-F46 WeakPolarHBondContact OD1-CA 3.48Å; D44-F46 WeakPolarHBondContact OD1-CB 3.26Å; D44-F46 PolarHBondContact OD1-N 2.84Å; F46-N48 PolarHBondContact O-N 3.28Å |
| 47 | V | 95.2 | Very high | 96.7 | Very high | 35 Ų | 35 | 43 Ų | 43 | 21% | 0.212 | 22% | 0.224 | C | C | . | . | trans | 61.6 | 27.9 | -178.7 | -161.6 | 0 | 0 | 0 | 0 | 111.5 | L15 D44 M49 G76 I79 L82 | L15-V47 HydrophobicContact CD2-CG2 4.31Å; D44-V47 PolarHBondContact O-N 3.25Å; D44-V47 PolarHBondContact OD1-N 2.97Å; V47-M49 HydrophobicContact CG1-CE 3.41Å; V47-M49 VanDerWaalsContact CG1-CE 3.41Å; V47-G76 VanDerWaalsContact O-CA 3.24Å; V47-G76 WeakPolarHBondContact O-CA 3.46Å; V47-I79 HydrophobicContact CG1-CD1 4.36Å; V47-I79 WeakPolarHBondContact O-CD1 3.35Å; V47-L82 HydrophobicContact CG1-CD1 4.33Å | ||
| 48 | N | 96.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | trans | -69.4 | 134.6 | 160.8 | -58.2 | -58 | 0 | 0 | 0 | 107.7 | F43 D44 F46 L73 L74 N75 G76 | F43-N48 CarbonylContact C-O 3.58Å; F43-N48 WeakPolarHBondContact CA-O 3.49Å; F43-N48 WeakPolarHBondContact CB-O 3.43Å; D44-N48 PolarHBondContact N-O 2.91Å; D44-N48 VanDerWaalsContact N-O 3.13Å; D44-N48 WeakPolarHBondContact OD1-CB 3.19Å; D44-N48 PolarHBondContact OD1-N 2.87Å; D44-N48 PolarHBondContact OD1-ND2 3.22Å; D44-N48 PolarHBondContact OD2-ND2 2.82Å; F46-N48 PolarHBondContact O-N 3.28Å; N48-L73 HydrophobicContact CB-CD1 4.41Å; N48-L74 CarbonylContact C-O 3.58Å; N48-L74 VanDerWaalsContact CA-O 3.26Å; N48-L74 WeakPolarHBondContact CA-O 3.35Å; N48-N75 WeakPolarHBondContact OD1-CA 3.41Å; N48-G76 PolarHBondContact OD1-N 3Å | ||
| 49 | M | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.9 | -171.2 | -60.7 | -166.8 | 171.7 | 0 | 0 | 111.9 | V18 I28 L40 G42 F43 V47 L51 L74 I79 L82 | V18-M49 HydrophobicContact CG1-CE 3.9Å; I28-M49 HydrophobicContact CD1-SD 3.45Å; I28-M49 WeakPolarHBondContact CD1-SD 3.37Å; L40-M49 HydrophobicContact CD1-CB 4.03Å; L40-M49 HydrophobicContact CD1-CG 4.19Å; L40-M49 HydrophobicContact CD1-SD 3.94Å; G42-M49 WeakPolarHBondContact O-CA 3.45Å; F43-M49 HydrophobicContact CB-CG 4.02Å; V47-M49 HydrophobicContact CG1-CE 3.41Å; V47-M49 VanDerWaalsContact CG1-CE 3.41Å; M49-L51 HydrophobicContact CB-CD2 4.45Å; M49-L74 HydrophobicContact CB-CB 4.4Å; M49-L74 PolarHBondContact N-O 3.24Å; M49-L74 PolarHBondContact O-N 3.13Å; M49-I79 HydrophobicContact CE-CD1 4.34Å; M49-I79 HydrophobicContact CG-CD1 4.24Å; M49-I79 HydrophobicContact SD-CD1 4.22Å; 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 3.88Å |
| 50 | V | 98.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.5 | 166.9 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | L41 G42 Q71 I72 L73 | L41-V50 HydrophobicContact CB-CB 4.17Å; L41-V50 HydrophobicContact CB-CG1 4.06Å; L41-V50 WeakPolarHBondContact CB-O 3.28Å; L41-V50 HydrophobicContact CD1-CG1 4.01Å; L41-V50 PolarHBondContact N-O 2.92Å; G42-V50 PolarHBondContact O-N 2.76Å; V50-Q71 HydrophobicContact CG1-CG 4.29Å; V50-I72 WeakPolarHBondContact CA-O 3.42Å; V50-L73 HydrophobicContact CG2-CD1 3.97Å |
| 51 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147 | 179.6 | -59.9 | -179 | 0 | 0 | 0 | 110.7 | I26 I28 I36 T39 L40 M49 V54 Q71 I72 | I26-L51 HydrophobicContact CG2-CD2 3.86Å; I28-L51 HydrophobicContact CD1-CD1 3.85Å; I28-L51 HydrophobicContact CD1-CD2 4.38Å; I36-L51 HydrophobicContact CG2-CD1 3.75Å; T39-L51 VanDerWaalsContact O-CA 3.29Å; T39-L51 WeakPolarHBondContact O-CA 3.45Å; L40-L51 HydrophobicContact CB-CD2 4.17Å; L40-L51 HydrophobicContact CD1-CD2 3.82Å; M49-L51 HydrophobicContact CB-CD2 4.45Å; L51-V54 HydrophobicContact CB-CG2 3.46Å; L51-V54 VanDerWaalsContact CB-CG2 3.46Å; L51-V54 HydrophobicContact CD1-CG2 4.39Å; L51-Q71 CarbonylContact O-C 3.56Å; L51-Q71 VanDerWaalsContact O-CA 3.27Å; L51-Q71 WeakPolarHBondContact O-CA 3.41Å; L51-Q71 WeakPolarHBondContact O-CG 3.44Å; L51-I72 HydrophobicContact CB-CG1 4.06Å; L51-I72 HydrophobicContact CD1-CD1 4.39Å; L51-I72 PolarHBondContact N-O 3.13Å; L51-I72 PolarHBondContact O-N 3.32Å |
| 52 | E | 98.1 | Very high | 94.2 | 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 | 165.5 | 169.2 | 67.9 | -179.6 | -171.8 | 0 | 0 | 112.2 | G38 T39 L41 V54 D70 | G38-E52 WeakPolarHBondContact CA-O 3.48Å; T39-E52 HydrophobicContact CG2-CG 4.25Å; T39-E52 PolarHBondContact N-O 3.09Å; T39-E52 PolarHBondContact O-N 3.02Å; L41-E52 HydrophobicContact CD1-CB 3.93Å; L41-E52 HydrophobicContact CD1-CG 4.1Å; L41-E52 VanDerWaalsContact CD2-CD 3.49Å; L41-E52 HydrophobicContact CD2-CG 3.96Å; L41-E52 HydrophobicContact CG-CB 4.27Å; L41-E52 HydrophobicContact CG-CG 3.96Å; E52-V54 VanDerWaalsContact C-N 3.26Å; E52-V54 PolarHBondContact O-N 3.33Å; E52-D70 CarbonylContact C-O 3.57Å; E52-D70 WeakPolarHBondContact CA-O 3.34Å |
| 53 | D | 96.8 | Very high | 93.6 | Very high | 98 Ų | 98 | 65.6 Ų | 65.6 | 52% | 0.524 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.9 | 49.7 | -178.5 | -70.3 | -37.5 | 0 | 0 | 0 | 112.1 | R25 D70 | R25-D53 PolarHBondContact NH2-O 3.07Å; R25-D53 VanDerWaalsContact NH2-O 3.13Å; D53-D70 PolarHBondContact N-O 2.9Å |
| 54 | V | 97.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134.5 | -168.1 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | I36 V37 L51 E52 K68 L69 I72 | I36-V54 HydrophobicContact CG2-CG1 3.4Å; I36-V54 VanDerWaalsContact CG2-CG1 3.4Å; V37-V54 CarbonylContact O-C 3.55Å; V37-V54 WeakPolarHBondContact O-CA 3.29Å; L51-V54 HydrophobicContact CB-CG2 3.46Å; L51-V54 VanDerWaalsContact CB-CG2 3.46Å; L51-V54 HydrophobicContact CD1-CG2 4.39Å; E52-V54 VanDerWaalsContact C-N 3.26Å; E52-V54 PolarHBondContact O-N 3.33Å; V54-K68 CarbonylContact O-C 3.54Å; V54-K68 VanDerWaalsContact O-CA 3.28Å; V54-K68 WeakPolarHBondContact O-CA 3.49Å; V54-L69 HydrophobicContact CB-CB 4.33Å; V54-L69 PolarHBondContact N-O 3.3Å; V54-L69 PolarHBondContact O-N 3.42Å; V54-I72 HydrophobicContact CG1-CD1 3.95Å; V54-I72 HydrophobicContact CG1-CG1 4.48Å; V54-I72 HydrophobicContact CG2-CD1 4.26Å; V54-I72 HydrophobicContact CG2-CG1 3.93Å |
| 55 | T | 96.5 | Very high | 93 | Very high | 25 Ų | 25 | 71.3 Ų | 71.3 | 15% | 0.153 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.4 | 165.3 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | V37 F57 I66 T67 | V37-T55 PolarHBondContact N-O 2.87Å; V37-T55 PolarHBondContact O-N 2.94Å; T55-F57 HydrophobicContact CG2-CD1 4.47Å; T55-F57 HydrophobicContact CG2-CD2 4.48Å; T55-F57 HydrophobicContact CG2-CE1 3.82Å; T55-F57 HydrophobicContact CG2-CE2 3.8Å; T55-F57 HydrophobicContact CG2-CZ 3.44Å; T55-F57 VanDerWaalsContact CG2-CZ 3.44Å; T55-I66 HydrophobicContact CG2-CG2 3.59Å; T55-T67 WeakPolarHBondContact CA-O 3.36Å |
| 56 | E | 95.5 | Very high | 93 | Very high | 26 Ų | 26 | 68.7 Ų | 68.7 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.9 | 174 | 175.4 | 178 | 157.6 | 0 | 0 | 109.9 | K34 I66 T67 | K34-E56 HydrophobicContact CD-CG 4.29Å; K34-E56 WeakPolarHBondContact CD-OE1 3.46Å; K34-E56 WeakPolarHBondContact CE-OE1 3.33Å; K34-E56 WeakPolarHBondContact CE-OE2 3.42Å; K34-E56 HydrophobicContact CG-CG 4.29Å; K34-E56 IonicContact NZ-OE1 2.69Å; K34-E56 PolarHBondContact NZ-OE1 3.1Å; K34-E56 IonicContact NZ-OE2 2.92Å; K34-E56 PolarHBondContact NZ-OE2 3.45Å; E56-I66 CarbonylContact O-C 3.57Å; E56-I66 VanDerWaalsContact O-CA 3.31Å; E56-I66 WeakPolarHBondContact O-CA 3.24Å; E56-T67 PolarHBondContact N-O 3.09Å; E56-T67 PolarHBondContact O-N 2.81Å |
| 57 | F | 94.7 | Very high | 93.1 | Very high | 22 Ų | 22 | 63 Ų | 63 | 10% | 0.096 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.6 | 173.2 | -55.6 | -78.9 | 0 | 0 | 0 | 108.7 | K34 E35 V37 T55 R64 R65 I66 | K34-F57 CarbonylContact C-O 3.52Å; K34-F57 WeakPolarHBondContact CA-O 3.13Å; E35-F57 HydrophobicContact CB-CB 4.22Å; E35-F57 HydrophobicContact CB-CD2 4.5Å; E35-F57 PolarHBondContact N-O 2.83Å; E35-F57 PolarHBondContact O-N 3.43Å; V37-F57 HydrophobicContact CB-CE2 4.25Å; V37-F57 HydrophobicContact CG2-CD2 4.37Å; V37-F57 HydrophobicContact CG2-CE2 3.75Å; T55-F57 HydrophobicContact CG2-CD1 4.47Å; T55-F57 HydrophobicContact CG2-CD2 4.48Å; T55-F57 HydrophobicContact CG2-CE1 3.82Å; T55-F57 HydrophobicContact CG2-CE2 3.8Å; T55-F57 HydrophobicContact CG2-CZ 3.44Å; T55-F57 VanDerWaalsContact CG2-CZ 3.44Å; F57-R64 VanDerWaalsContact CD1-NE 3.28Å; F57-R65 WeakPolarHBondContact CA-O 3.22Å; F57-I66 HydrophobicContact CD1-CD1 4.18Å; F57-I66 HydrophobicContact CD1-CG1 3.9Å; F57-I66 HydrophobicContact CD1-CG2 4.24Å; F57-I66 HydrophobicContact CE1-CD1 3.99Å; F57-I66 HydrophobicContact CE1-CG1 4.16Å; F57-I66 HydrophobicContact CE1-CG2 4.06Å |
| 58 | E | 92.9 | Very high | 93.1 | Very high | 65 Ų | 65 | 69.4 Ų | 69.4 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.4 | 177.2 | -176 | -178.7 | -155 | 0 | 0 | 108.5 | T60 R64 R65 | E58-T60 HydrophobicContact CG-CG2 4.14Å; E58-R64 WeakPolarHBondContact O-CA 3.44Å; E58-R65 HydrophobicContact CB-CB 4.38Å; E58-R65 PolarHBondContact N-O 3.19Å; E58-R65 PolarHBondContact O-N 2.92Å |
| 59 | I | 87.4 | Confident | 93.2 | Very high | 107 Ų | 107 | 70.5 Ų | 70.5 | 55% | 0.549 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112.4 | 173 | -55.6 | 179.1 | 0 | 0 | 0 | 107.8 | D33 | D33-I59 HydrophobicContact CB-CB 4.06Å; D33-I59 HydrophobicContact CB-CD1 4.32Å; D33-I59 HydrophobicContact CB-CG1 4.4Å; D33-I59 PolarHBondContact O-N 3.13Å; D33-I59 VanDerWaalsContact O-N 3.09Å |
| 60 | T | 86.6 | Confident | 93.1 | Very high | 38 Ų | 38 | 77.4 Ų | 77.4 | 23% | 0.233 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 162.4 | 173.9 | 81.6 | 0 | 0 | 0 | 0 | 110.1 | E58 E62 G63 R65 | E58-T60 HydrophobicContact CG-CG2 4.14Å; T60-E62 PolarHBondContact O-N 2.82Å; T60-E62 VanDerWaalsContact O-N 3.08Å; T60-E62 PolarHBondContact OG1-N 3.29Å; T60-G63 WeakPolarHBondContact CA-O 3.47Å; T60-G63 PolarHBondContact N-O 2.96Å; T60-G63 PolarHBondContact O-N 2.98Å; T60-G63 VanDerWaalsContact O-O 3.13Å; T60-G63 PolarHBondContact OG1-N 2.9Å; T60-G63 PolarHBondContact OG1-O 3.36Å; T60-R65 HydrophobicContact CG2-CB 4.22Å |
| 61 | P | 85.6 | Confident | 93.1 | Very high | 145 Ų | 145 | 81 Ų | 81 | 94% | 0.942 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.3 | 173.6 | -24.4 | 34.7 | 0 | 0 | 0 | 114 | ||
| 62 | E | 84.8 | Confident | 93 | Very high | 192 Ų | 192 | 82.6 Ų | 82.6 | 90% | 0.897 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -8.6 | -178.4 | -64.4 | 162.5 | -171.1 | 0 | 0 | 112.3 | T60 | T60-E62 PolarHBondContact O-N 2.82Å; T60-E62 VanDerWaalsContact O-N 3.08Å; T60-E62 PolarHBondContact OG1-N 3.29Å |
| 63 | G | 85.1 | Confident | 93 | Very high | 36 Ų | 36 | 85.5 Ų | 85.5 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.3 | -164.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | T60 | T60-G63 WeakPolarHBondContact CA-O 3.47Å; T60-G63 PolarHBondContact N-O 2.96Å; T60-G63 PolarHBondContact O-N 2.98Å; T60-G63 VanDerWaalsContact O-O 3.13Å; T60-G63 PolarHBondContact OG1-N 2.9Å; T60-G63 PolarHBondContact OG1-O 3.36Å |
| 64 | R | 87.2 | Confident | 93 | Very high | 86 Ų | 86 | 81.4 Ų | 81.4 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.9 | 178.2 | -172.5 | 170.8 | 174.8 | -173.8 | -7.2 | 109.9 | F57 E58 I66 P89 | F57-R64 VanDerWaalsContact CD1-NE 3.28Å; E58-R64 WeakPolarHBondContact O-CA 3.44Å; R64-I66 HydrophobicContact CG-CG1 4.46Å; R64-P89 PolarHBondContact NH1-O 3.11Å; R64-P89 VanDerWaalsContact NH2-CD 3.27Å; R64-P89 PolarHBondContact NH2-O 3.02Å |
| 65 | R | 91.8 | Very high | 92.8 | Very high | 153 Ų | 153 | 85 Ų | 85 | 58% | 0.577 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.2 | 171.9 | -175.7 | 179.5 | -178.9 | 175.5 | 2.3 | 109.5 | F57 E58 T60 | F57-R65 WeakPolarHBondContact CA-O 3.22Å; E58-R65 HydrophobicContact CB-CB 4.38Å; E58-R65 PolarHBondContact N-O 3.19Å; E58-R65 PolarHBondContact O-N 2.92Å; T60-R65 HydrophobicContact CG2-CB 4.22Å |
| 66 | I | 94 | Very high | 92.7 | Very high | 94 Ų | 94 | 84.3 Ų | 84.3 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.4 | 177.1 | -51 | -177.1 | 0 | 0 | 0 | 108.8 | T55 E56 F57 R64 | T55-I66 HydrophobicContact CG2-CG2 3.59Å; E56-I66 CarbonylContact O-C 3.57Å; E56-I66 VanDerWaalsContact O-CA 3.31Å; E56-I66 WeakPolarHBondContact O-CA 3.24Å; F57-I66 HydrophobicContact CD1-CD1 4.18Å; F57-I66 HydrophobicContact CD1-CG1 3.9Å; F57-I66 HydrophobicContact CD1-CG2 4.24Å; F57-I66 HydrophobicContact CE1-CD1 3.99Å; F57-I66 HydrophobicContact CE1-CG1 4.16Å; F57-I66 HydrophobicContact CE1-CG2 4.06Å; R64-I66 HydrophobicContact CG-CG1 4.46Å |
| 67 | T | 95.2 | Very high | 92.6 | Very high | 39 Ų | 39 | 88.7 Ų | 88.7 | 24% | 0.239 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.4 | 177.7 | -52.4 | 0 | 0 | 0 | 0 | 109.6 | T55 E56 L69 | T55-T67 WeakPolarHBondContact CA-O 3.36Å; E56-T67 PolarHBondContact N-O 3.09Å; E56-T67 PolarHBondContact O-N 2.81Å; T67-L69 HydrophobicContact CG2-CD2 4.17Å; T67-L69 HydrophobicContact CG2-CG 4.23Å |
| 68 | K | 96.3 | Very high | 92.5 | Very high | 170 Ų | 170 | 90.6 Ų | 90.6 | 74% | 0.739 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.5 | 173.3 | -67.9 | -171.1 | 176.1 | -173.2 | 0 | 110.4 | V54 | V54-K68 CarbonylContact O-C 3.54Å; V54-K68 VanDerWaalsContact O-CA 3.28Å; V54-K68 WeakPolarHBondContact O-CA 3.49Å |
| 69 | L | 97.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 88.8 Ų | 88.8 | 33% | 0.325 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 138.8 | -177.5 | -60.2 | 169.3 | 0 | 0 | 0 | 108.8 | V54 T67 I72 | V54-L69 HydrophobicContact CB-CB 4.33Å; V54-L69 PolarHBondContact N-O 3.3Å; V54-L69 PolarHBondContact O-N 3.42Å; T67-L69 HydrophobicContact CG2-CD2 4.17Å; T67-L69 HydrophobicContact CG2-CG 4.23Å; L69-I72 HydrophobicContact CB-CG2 3.9Å; L69-I72 HydrophobicContact CD1-CG2 3.65Å; L69-I72 HydrophobicContact CG-CG2 4.38Å |
| 70 | D | 96.9 | Very high | 93 | Very high | 144 Ų | 144 | 87.4 Ų | 87.4 | 77% | 0.77 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -50.4 | -176.4 | -61.7 | -27.8 | 0 | 0 | 0 | 111.4 | E52 D53 | E52-D70 CarbonylContact C-O 3.57Å; E52-D70 WeakPolarHBondContact CA-O 3.34Å; D53-D70 PolarHBondContact N-O 2.9Å |
| 71 | Q | 96.6 | Very high | 93.4 | Very high | 127 Ų | 127 | 90.7 Ų | 90.7 | 59% | 0.593 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 140.3 | 178.8 | -171.3 | 177.3 | 66.7 | 0 | 0 | 110.8 | L41 V50 L51 | L41-Q71 VanDerWaalsContact CD1-NE2 3.33Å; V50-Q71 HydrophobicContact CG1-CG 4.29Å; L51-Q71 CarbonylContact O-C 3.56Å; L51-Q71 VanDerWaalsContact O-CA 3.27Å; L51-Q71 WeakPolarHBondContact O-CA 3.41Å; L51-Q71 WeakPolarHBondContact O-CG 3.44Å |
| 72 | I | 97.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 86.2 Ų | 86.2 | 17% | 0.174 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155 | 176.3 | 66.4 | 169.2 | 0 | 0 | 0 | 112 | I36 V50 L51 V54 L69 L74 | I36-I72 HydrophobicContact CD1-CD1 4.47Å; I36-I72 HydrophobicContact CG2-CD1 4.24Å; V50-I72 WeakPolarHBondContact CA-O 3.42Å; L51-I72 HydrophobicContact CB-CG1 4.06Å; L51-I72 HydrophobicContact CD1-CD1 4.39Å; L51-I72 PolarHBondContact N-O 3.13Å; L51-I72 PolarHBondContact O-N 3.32Å; V54-I72 HydrophobicContact CG1-CD1 3.95Å; V54-I72 HydrophobicContact CG1-CG1 4.48Å; V54-I72 HydrophobicContact CG2-CD1 4.26Å; V54-I72 HydrophobicContact CG2-CG1 3.93Å; L69-I72 HydrophobicContact CB-CG2 3.9Å; L69-I72 HydrophobicContact CD1-CG2 3.65Å; L69-I72 HydrophobicContact CG-CG2 4.38Å; I72-L74 HydrophobicContact CD1-CB 4.48Å |
| 73 | L | 97.4 | Very high | 94.5 | Very high | 131 Ų | 131 | 80.4 Ų | 80.4 | 69% | 0.686 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.8 | 159.4 | 178.8 | 64.9 | 0 | 0 | 0 | 108.5 | N48 V50 | N48-L73 HydrophobicContact CB-CD1 4.41Å; V50-L73 HydrophobicContact CG2-CD1 3.97Å |
| 74 | L | 96.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.9 | 179.4 | -173 | 63.6 | 0 | 0 | 0 | 110.8 | I28 M30 I36 N48 M49 I72 I79 | I28-L74 HydrophobicContact CB-CD2 4.42Å; I28-L74 HydrophobicContact CD1-CD2 3.66Å; I28-L74 HydrophobicContact CG2-CD2 3.91Å; M30-L74 HydrophobicContact CE-CD1 4.01Å; M30-L74 HydrophobicContact SD-CD1 3.81Å; M30-L74 HydrophobicContact SD-CD2 4.28Å; M30-L74 HydrophobicContact SD-CG 4.35Å; I36-L74 HydrophobicContact CD1-CD1 3.4Å; I36-L74 VanDerWaalsContact CD1-CD1 3.4Å; I36-L74 HydrophobicContact CD1-CD2 3.9Å; I36-L74 HydrophobicContact CD1-CG 4.29Å; N48-L74 CarbonylContact C-O 3.58Å; N48-L74 VanDerWaalsContact CA-O 3.26Å; N48-L74 WeakPolarHBondContact CA-O 3.35Å; M49-L74 HydrophobicContact CB-CB 4.4Å; M49-L74 PolarHBondContact N-O 3.24Å; M49-L74 PolarHBondContact O-N 3.13Å; I72-L74 HydrophobicContact CD1-CB 4.48Å; L74-I79 HydrophobicContact CD2-CD1 4Å; L74-I79 HydrophobicContact CD2-CG1 4.18Å; L74-I79 HydrophobicContact CG-CD1 4.45Å |
| 75 | N | 94.6 | Very high | 95.1 | Very high | 75 Ų | 75 | 80.2 Ų | 80.2 | 40% | 0.401 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 123.2 | 177.9 | -171.8 | -59.7 | 0 | 0 | 0 | 111.5 | N48 N77 | N48-N75 WeakPolarHBondContact OD1-CA 3.41Å; N75-N77 VanDerWaalsContact C-N 3.28Å; N75-N77 PolarHBondContact O-N 2.96Å; N75-N77 WeakPolarHBondContact OD1-CB 3.49Å; N75-N77 PolarHBondContact OD1-N 3.01Å; N75-N77 PolarHBondContact OD1-ND2 3.47Å |
| 76 | G | 93.2 | Very high | 95 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -65.3 | -23.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V47 N48 N78 I79 | V47-G76 VanDerWaalsContact O-CA 3.24Å; V47-G76 WeakPolarHBondContact O-CA 3.46Å; N48-G76 PolarHBondContact OD1-N 3Å; G76-N78 PolarHBondContact O-N 3.47Å; G76-N78 VanDerWaalsContact O-N 3.13Å; G76-I79 PolarHBondContact O-N 2.69Å |
| 77 | N | 94.3 | Very high | 94.5 | Very high | 117 Ų | 117 | 77.5 Ų | 77.5 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -63.8 | -24.7 | -176.1 | -66.7 | -47.1 | 0 | 0 | 0 | 113.8 | K31 N75 | K31-N77 PolarHBondContact NZ-O 3.28Å; N75-N77 VanDerWaalsContact C-N 3.28Å; N75-N77 PolarHBondContact O-N 2.96Å; N75-N77 WeakPolarHBondContact OD1-CB 3.49Å; N75-N77 PolarHBondContact OD1-N 3.01Å; N75-N77 PolarHBondContact OD1-ND2 3.47Å |
| 78 | N | 92.4 | Very high | 94 | Very high | 63 Ų | 63 | 76.5 Ų | 76.5 | 34% | 0.337 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -101.1 | -4.4 | -176.9 | -67.2 | -34 | 0 | 0 | 0 | 113.3 | M30 K31 G76 | M30-N78 CarbonylContact C-O 3.56Å; M30-N78 VanDerWaalsContact CA-O 3.28Å; M30-N78 WeakPolarHBondContact CA-O 3.47Å; M30-N78 HydrophobicContact CE-CB 3.77Å; M30-N78 HydrophobicContact SD-CB 4.03Å; K31-N78 PolarHBondContact N-O 2.81Å; G76-N78 PolarHBondContact O-N 3.47Å; G76-N78 VanDerWaalsContact O-N 3.13Å |
| 79 | I | 95.2 | Very high | 93.4 | 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 | -70.7 | 131.4 | 176.9 | -62.6 | -179 | 0 | 0 | 0 | 109 | I28 M30 V47 M49 L74 G76 L82 | I28-I79 HydrophobicContact CG2-CB 4.44Å; I28-I79 HydrophobicContact CG2-CD1 4.21Å; I28-I79 HydrophobicContact CG2-CG1 3.94Å; I28-I79 HydrophobicContact CG2-CG2 3.96Å; M30-I79 HydrophobicContact SD-CG1 4.46Å; V47-I79 HydrophobicContact CG1-CD1 4.36Å; V47-I79 WeakPolarHBondContact O-CD1 3.35Å; M49-I79 HydrophobicContact CE-CD1 4.34Å; M49-I79 HydrophobicContact CG-CD1 4.24Å; M49-I79 HydrophobicContact SD-CD1 4.22Å; L74-I79 HydrophobicContact CD2-CD1 4Å; L74-I79 HydrophobicContact CD2-CG1 4.18Å; L74-I79 HydrophobicContact CG-CD1 4.45Å; G76-I79 PolarHBondContact O-N 2.69Å; I79-L82 HydrophobicContact CG2-CD2 3.84Å; I79-L82 HydrophobicContact CG2-CG 4.02Å |
| 80 | T | 95.6 | Very high | 92.1 | Very high | 79 Ų | 79 | 76.5 Ų | 76.5 | 49% | 0.485 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -44.3 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | V29 K31 | V29-T80 WeakPolarHBondContact O-CA 3.47Å; V29-T80 WeakPolarHBondContact O-CB 3.35Å; V29-T80 PolarHBondContact O-N 2.95Å; K31-T80 WeakPolarHBondContact CG-OG1 3.49Å; K31-T80 PolarHBondContact N-OG1 2.95Å |
| 81 | M | 95.2 | Very high | 90.3 | Very high | 107 Ų | 107 | 78.9 Ų | 78.9 | 53% | 0.527 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.7 | 178.5 | -66.2 | -178.1 | -74.5 | 0 | 0 | 111.8 | I28 V29 | I28-M81 WeakPolarHBondContact CA-O 3.29Å; V29-M81 HydrophobicContact CB-CB 4.16Å; V29-M81 HydrophobicContact CB-CE 4.21Å; V29-M81 HydrophobicContact CG1-CE 4.14Å; V29-M81 HydrophobicContact CG2-CB 4.34Å; V29-M81 HydrophobicContact CG2-CE 4.25Å; V29-M81 PolarHBondContact N-O 3.36Å; V29-M81 PolarHBondContact O-N 2.75Å |
| 82 | L | 95.9 | Very high | 90 | Very high | 51 Ų | 51 | 76.5 Ų | 76.5 | 27% | 0.267 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.8 | 177.2 | -63.5 | 169.7 | 0 | 0 | 0 | 108.3 | V18 I26 I28 V47 M49 I79 | V18-L82 HydrophobicContact CG2-CD1 3.7Å; I26-L82 HydrophobicContact CD1-CB 4.24Å; I26-L82 HydrophobicContact CD1-CD2 4.07Å; I28-L82 HydrophobicContact CB-CD2 4.26Å; I28-L82 HydrophobicContact CD1-CD2 3.89Å; I28-L82 HydrophobicContact CG1-CD2 3.7Å; I28-L82 HydrophobicContact CG2-CD2 3.94Å; V47-L82 HydrophobicContact CG1-CD1 4.33Å; 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 3.88Å; I79-L82 HydrophobicContact CG2-CD2 3.84Å; I79-L82 HydrophobicContact CG2-CG 4.02Å |
| 83 | I | 96.1 | Very high | 89.5 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 35% | 0.354 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 100.2 | -175.6 | -57.8 | 165.5 | 0 | 0 | 0 | 108 | H27 V29 G85 G86 | H27-I83 HydrophobicContact CB-CB 4.09Å; H27-I83 PolarHBondContact N-O 2.83Å; H27-I83 PolarHBondContact O-N 3.02Å; V29-I83 HydrophobicContact CG2-CD1 4.26Å; I83-G85 PolarHBondContact O-N 3.28Å; I83-G86 PolarHBondContact O-N 2.91Å |
| 84 | P | 95.2 | Very high | 89.1 | Confident | 64 Ų | 64 | 75.8 Ų | 75.8 | 42% | 0.416 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 132.3 | 174.8 | -25 | 36.2 | 0 | 0 | 0 | 111.6 | L17 C21 G86 | L17-P84 HydrophobicContact CD1-CG 4.39Å; L17-P84 HydrophobicContact CG-CG 4.45Å; C21-P84 WeakPolarHBondContact SG-CB 3.48Å; C21-P84 WeakPolarHBondContact SG-CG 3.47Å; P84-G86 PolarHBondContact O-N 3.3Å |
| 85 | G | 91.3 | Very high | 88.7 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 56% | 0.557 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 6.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R25 I83 | R25-G85 VanDerWaalsContact O-CA 3.3Å; R25-G85 WeakPolarHBondContact O-CA 3.33Å; R25-G85 PolarHBondContact O-N 2.75Å; I83-G85 PolarHBondContact O-N 3.28Å |
| 86 | G | 87.9 | Confident | 88.3 | Confident | 13 Ų | 13 | 79.8 Ų | 79.8 | 13% | 0.134 | 46% | 0.456 | C | S | . | . | trans | -67.5 | 139.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I83 P84 | I83-G86 PolarHBondContact O-N 2.91Å; P84-G86 PolarHBondContact O-N 3.3Å | ||
| 87 | E | 85.1 | Confident | 88 | Confident | 177 Ų | 177 | 84.3 Ų | 84.3 | 83% | 0.827 | 48% | 0.479 | S | S | * | . | trans | -92.9 | -1.6 | 179.5 | -59.2 | -168.1 | 156.5 | 0 | 0 | 113.1 | ||||
| 88 | G | 84.2 | Confident | 87.6 | Confident | 18 Ų | 18 | 81.9 Ų | 81.9 | 19% | 0.186 | 47% | 0.468 | C | S | . | . | trans | 95.1 | -177.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V37 E90 | V37-G88 VanDerWaalsContact CG2-CA 3.46Å; G88-E90 PolarHBondContact O-N 3.27Å | ||
| 89 | P | 83.1 | Confident | 87.2 | Confident | 40 Ų | 40 | 83.4 Ų | 83.4 | 26% | 0.26 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -66.3 | 126.9 | 177.9 | -0.1 | 4.2 | 0 | 0 | 0 | 110.8 | E35 R64 V91 | E35-P89 WeakPolarHBondContact OE2-CG 3.45Å; R64-P89 PolarHBondContact NH1-O 3.11Å; R64-P89 VanDerWaalsContact NH2-CD 3.27Å; R64-P89 PolarHBondContact NH2-O 3.02Å; P89-V91 PolarHBondContact O-N 3.37Å |
| 90 | E | 70.4 | Confident | 86.5 | Confident | 192 Ų | 192 | 88.2 Ų | 88.2 | 90% | 0.897 | 51% | 0.507 | S | S | * | . | trans | -54.3 | 135.1 | 167.4 | -67.3 | -171.8 | 153.7 | 0 | 0 | 109 | G88 | G88-E90 PolarHBondContact O-N 3.27Š| ||
| 91 | V | 58 | Low | 85.7 | Confident | 194 Ų | 194 | 89 Ų | 89 | 100% | 1.176 | 51% | 0.509 | S | S | * | . | trans | -69.2 | 0 | 179.5 | -98.4 | 0 | 0 | 0 | 0 | 112.1 | P89 | P89-V91 PolarHBondContact O-N 3.37Š|
Retrieved 91 of 91 residues in 26.1 ms
(Link to these results)