| 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 | 38.5 | Very low | 37.9 | Very low | 231 Ų | 231 | 151.6 Ų | 151.6 | 100% | 1.138 | 78% | 0.782 | S | S | * | * | 0 | 140.6 | 0 | -67.6 | 175.6 | 92.2 | 0 | 0 | 107.8 | |||||
| 2 | H | 39.7 | Very low | 38 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | 87.8 | 75.8 | -174 | -57.8 | -57.6 | 0 | 0 | 0 | 117.1 | ||||
| 3 | L | 37 | Very low | 38.1 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -58 | 116.5 | 140.6 | -154.2 | 84.4 | 0 | 0 | 0 | 108.2 | ||||
| 4 | I | 47.6 | Very low | 37.7 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | -123.2 | 90.1 | 161.1 | -58.8 | 178.3 | 0 | 0 | 0 | 106.6 | ||||
| 5 | T | 38.6 | Very low | 37.6 | Very low | 112 Ų | 112 | 157.3 Ų | 157.3 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | -85.6 | 113.8 | 157.3 | 32 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | L | 38.2 | Very low | 37.3 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -149.3 | 109.2 | 156.5 | -123.2 | 128.7 | 0 | 0 | 0 | 111.7 | ||||
| 7 | I | 33.9 | Very low | 36.9 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | -37.4 | 135.8 | 162.7 | -62.6 | 148.7 | 0 | 0 | 0 | 112.7 | ||||
| 8 | Q | 36.4 | Very low | 36.5 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -160.8 | 96.7 | 134.7 | -108.6 | 172.1 | 7.5 | 0 | 0 | 111.6 | ||||
| 9 | T | 33.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | -58.6 | 125.1 | 159.5 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 10 | F | 41.3 | Very low | 35.9 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | -120.7 | 87.9 | 155.6 | -87.4 | -81.3 | 0 | 0 | 0 | 109.9 | ||||
| 11 | P | 32.2 | Very low | 35.7 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 60% | 0.604 | 75% | 0.753 | S | S | * | * | trans | -102.3 | 69.9 | 161.8 | 36.1 | -21.5 | 0 | 0 | 0 | 107.3 | ||||
| 12 | F | 39.2 | Very low | 35.7 | Very low | 169 Ų | 169 | 135 Ų | 135 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | -143.4 | 101.4 | 171.4 | -72.9 | -77.9 | 0 | 0 | 0 | 108.1 | ||||
| 13 | L | 39.7 | Very low | 35.8 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | -168.7 | 72.4 | 116 | -89.3 | 161.8 | 0 | 0 | 0 | 105.6 | Y15 | L13-Y15 PolarHBondContact O-N 2.95Š| |||
| 14 | L | 32.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | trans | -45.1 | 106.5 | 137.7 | -88.8 | 141.3 | 0 | 0 | 0 | 104.9 | P16 | L14-P16 WeakPolarHBondContact O-CD 3.47Å; L14-P16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | Y | 35.6 | Very low | 36.7 | Very low | 211 Ų | 211 | 127.4 Ų | 127.4 | 83% | 0.827 | 69% | 0.686 | S | S | * | * | trans | -47.2 | 122.9 | 167.2 | -80.8 | -94.7 | 0 | 0 | 0 | 105.7 | L13 A17 | L13-Y15 PolarHBondContact O-N 2.95Å; Y15-A17 VanDerWaalsContact C-N 3.31Å; Y15-A17 PolarHBondContact O-N 3.19Å | ||
| 16 | P | 32.8 | Very low | 38.2 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | trans | -57.1 | 112 | 167.5 | 24.4 | -29.1 | 0 | 0 | 0 | 103.9 | L14 L18 | L14-P16 WeakPolarHBondContact O-CD 3.47Å; L14-P16 VanDerWaalsContact O-N 3.08Å; P16-L18 PolarHBondContact O-N 3.45Å | ||
| 17 | A | 30.9 | Very low | 40.4 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | trans | -48.7 | 105.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 102.9 | Y15 P19 | Y15-A17 VanDerWaalsContact C-N 3.31Å; Y15-A17 PolarHBondContact O-N 3.19Å; A17-P19 WeakPolarHBondContact O-CD 3.43Å | ||
| 18 | L | 29.7 | Very low | 43 | Very low | 151 Ų | 151 | 119.9 Ų | 119.9 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | trans | -51.3 | 119.9 | 177.8 | -98.9 | 93.3 | 0 | 0 | 0 | 103.7 | P16 D20 | P16-L18 PolarHBondContact O-N 3.45Å; L18-D20 PolarHBondContact O-N 2.89Å | ||
| 19 | P | 29 | Very low | 45.6 | Very low | 95 Ų | 95 | 114.6 Ų | 114.6 | 62% | 0.617 | 61% | 0.611 | S | S | * | * | trans | -56.5 | 137.2 | -179.6 | 28.1 | -35.1 | 0 | 0 | 0 | 105.1 | A17 V21 | A17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-V21 HydrophobicContact CB-CG2 3.56Å; P19-V21 HydrophobicContact CG-CG2 3.57Å; P19-V21 PolarHBondContact O-N 3.41Å | ||
| 20 | D | 31.6 | Very low | 48.1 | Very low | 121 Ų | 121 | 111.7 Ų | 111.7 | 65% | 0.647 | 59% | 0.591 | S | S | * | * | trans | -66 | 49.3 | -177.9 | -152.3 | 1 | 0 | 0 | 0 | 109.9 | L18 L22 R188 | L18-D20 PolarHBondContact O-N 2.89Å; D20-L22 PolarHBondContact O-N 3.46Å; D20-R188 IonicContact OD1-NH1 3.9Å; D20-R188 PolarHBondContact OD1-NH1 2.98Å | ||
| 21 | V | 31.3 | Very low | 50.2 | Low | 98 Ų | 98 | 109.6 Ų | 109.6 | 59% | 0.594 | 59% | 0.593 | S | S | * | * | trans | -80.4 | 3.3 | -170.6 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | P19 S23 | P19-V21 HydrophobicContact CB-CG2 3.56Å; P19-V21 HydrophobicContact CG-CG2 3.57Å; P19-V21 PolarHBondContact O-N 3.41Å; V21-S23 PolarHBondContact O-N 3.24Å | ||
| 22 | L | 39.2 | Very low | 52.9 | Low | 54 Ų | 54 | 107.9 Ų | 107.9 | 28% | 0.283 | 58% | 0.583 | S | S | . | * | trans | -81.1 | 51.8 | 157.8 | -65.4 | 168.9 | 0 | 0 | 0 | 109.2 | D20 H190 | D20-L22 PolarHBondContact O-N 3.46Å; L22-H190 WeakPolarHBondContact CD1-CE1 3.37Å | ||
| 23 | S | 42.4 | Very low | 55.4 | Low | 77 Ų | 77 | 100.2 Ų | 100.2 | 54% | 0.538 | 55% | 0.55 | S | S | . | . | trans | -79.2 | 121.2 | 172 | 114.7 | 0 | 0 | 0 | 0 | 106.8 | V21 D25 | V21-S23 PolarHBondContact O-N 3.24Å; S23-D25 PolarHBondContact O-N 3.44Å | ||
| 24 | N | 47.8 | Very low | 57.7 | Low | 142 Ų | 142 | 93.4 Ų | 93.4 | 76% | 0.759 | 51% | 0.514 | S | S | * | . | S | Bend | trans | 53 | 2.8 | 163.7 | -79.2 | -23.6 | 0 | 0 | 0 | 120.2 | K26 | N24-K26 PolarHBondContact O-N 3.4Å; N24-K26 VanDerWaalsContact O-N 3.16Å |
| 25 | D | 55.6 | Low | 60.2 | Low | 100 Ų | 100 | 86.1 Ų | 86.1 | 54% | 0.535 | 48% | 0.478 | S | S | . | . | trans | -58.1 | 127 | 177.2 | -77.6 | -23.5 | 0 | 0 | 0 | 109.4 | S23 G27 K113 | S23-D25 PolarHBondContact O-N 3.44Å; D25-G27 PolarHBondContact O-N 3.04Å; D25-K113 PolarHBondContact O-NZ 2.97Å | ||
| 26 | K | 69.9 | Low | 62.4 | Low | 205 Ų | 205 | 76.5 Ų | 76.5 | 89% | 0.891 | 44% | 0.441 | S | S | * | . | trans | -61.1 | 107.7 | 173.1 | -75.4 | -179 | 177.4 | 179.7 | 0 | 106.3 | N24 | N24-K26 PolarHBondContact O-N 3.4Å; N24-K26 VanDerWaalsContact O-N 3.16Å | ||
| 27 | G | 83.4 | Confident | 64.5 | Low | 10 Ų | 10 | 74.3 Ų | 74.3 | 10% | 0.103 | 42% | 0.424 | C | S | . | . | trans | -68.4 | 163.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D25 K113 | D25-G27 PolarHBondContact O-N 3.04Å; G27-K113 WeakPolarHBondContact CA-O 3.43Å | ||
| 28 | Y | 89.9 | Confident | 67 | Low | 43 Ų | 43 | 71.1 Ų | 71.1 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 135 | 177.3 | -61.6 | -79 | 0 | 0 | 0 | 111 | S32 F33 P34 P55 V111 K113 V114 T115 | Y28-S32 WeakPolarHBondContact CD1-O 2.99Å; Y28-F33 HydrophobicContact CG-CD2 4.28Å; Y28-P34 HydrophobicContact CE1-CG 4.5Å; Y28-P55 HydrophobicContact CE2-CG 4.3Å; Y28-V111 HydrophobicContact CD2-CB 3.79Å; Y28-V111 HydrophobicContact CD2-CG1 3.58Å; Y28-V111 HydrophobicContact CD2-CG2 4.47Å; Y28-V111 HydrophobicContact CE2-CB 4.02Å; Y28-V111 HydrophobicContact CE2-CG1 3.64Å; Y28-V111 HydrophobicContact CG-CG1 4.47Å; Y28-K113 PolarHBondContact N-O 3.19Å; Y28-V114 CarbonylContact O-C 3.58Å; Y28-V114 WeakPolarHBondContact O-CA 3.34Å; Y28-T115 PolarHBondContact O-N 3.44Å |
| 29 | D | 90.5 | Very high | 69.3 | Low | 56 Ų | 56 | 68.6 Ų | 68.6 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | trans | -112.4 | 180 | 166.1 | 65 | 25.5 | 0 | 0 | 0 | 109.9 | T31 S32 F33 T115 | D29-T31 PolarHBondContact O-N 2.86Å; D29-T31 WeakPolarHBondContact OD1-CA 3.12Å; D29-T31 WeakPolarHBondContact OD1-CB 2.86Å; D29-T31 PolarHBondContact OD1-N 3.44Å; D29-T31 PolarHBondContact OD1-OG1 3.28Å; D29-S32 VanDerWaalsContact CG-OG 3.32Å; D29-S32 PolarHBondContact N-OG 3.4Å; D29-S32 PolarHBondContact O-N 3.21Å; D29-S32 PolarHBondContact O-OG 2.91Å; D29-S32 PolarHBondContact OD1-N 3.09Å; D29-S32 PolarHBondContact OD1-OG 2Å; D29-F33 WeakPolarHBondContact O-CB 3.49Å; D29-F33 PolarHBondContact O-N 3.19Å; D29-T115 WeakPolarHBondContact CB-O 3.4Å | ||
| 30 | L | 86.8 | Confident | 71.8 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24 | -178.1 | -71.3 | 175.8 | 0 | 0 | 0 | 113.5 | V117 F148 L152 | L30-V117 HydrophobicContact CD1-CG2 4.24Å; L30-F148 HydrophobicContact CB-CE2 4.35Å; L30-F148 HydrophobicContact CD2-CD2 3.62Å; L30-F148 HydrophobicContact CD2-CE1 4.48Å; L30-F148 HydrophobicContact CD2-CE2 3.53Å; L30-F148 HydrophobicContact CD2-CG 4.17Å; L30-F148 HydrophobicContact CD2-CZ 3.97Å; L30-F148 HydrophobicContact CG-CD2 3.78Å; L30-F148 HydrophobicContact CG-CE2 3.58Å; L30-F148 HydrophobicContact CG-CZ 4.38Å; L30-L152 HydrophobicContact CD2-CB 3.99Å |
| 31 | T | 85.4 | Confident | 74.2 | Confident | 131 Ų | 131 | 63 Ų | 63 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -29.8 | -176.4 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | D29 | D29-T31 PolarHBondContact O-N 2.86Å; D29-T31 WeakPolarHBondContact OD1-CA 3.12Å; D29-T31 WeakPolarHBondContact OD1-CB 2.86Å; D29-T31 PolarHBondContact OD1-N 3.44Å; D29-T31 PolarHBondContact OD1-OG1 3.28Å |
| 32 | S | 88.6 | Confident | 76 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -12.3 | -176.5 | 52 | 0 | 0 | 0 | 0 | 113.4 | Y28 D29 | Y28-S32 WeakPolarHBondContact CD1-O 2.99Å; D29-S32 VanDerWaalsContact CG-OG 3.32Å; D29-S32 PolarHBondContact N-OG 3.4Å; D29-S32 PolarHBondContact O-N 3.21Å; D29-S32 PolarHBondContact O-OG 2.91Å; D29-S32 PolarHBondContact OD1-N 3.09Å; D29-S32 PolarHBondContact OD1-OG 2Å |
| 33 | F | 91.1 | Very high | 76.7 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -61.4 | 127.4 | -179.8 | -148.7 | -76.4 | 0 | 0 | 0 | 111.1 | Y28 D29 A35 V109 V111 V114 F148 L152 W156 M171 | Y28-F33 HydrophobicContact CG-CD2 4.28Å; D29-F33 WeakPolarHBondContact O-CB 3.49Å; D29-F33 PolarHBondContact O-N 3.19Å; F33-A35 PolarHBondContact O-N 3.45Å; F33-V109 HydrophobicContact CE1-CB 4.17Å; F33-V109 HydrophobicContact CE1-CG1 3.54Å; F33-V109 HydrophobicContact CE1-CG2 4.39Å; F33-V109 HydrophobicContact CZ-CB 4.33Å; F33-V109 HydrophobicContact CZ-CG1 3.72Å; F33-V111 HydrophobicContact CE2-CG1 4.26Å; F33-V111 HydrophobicContact CE2-CG2 4.01Å; F33-V111 HydrophobicContact CZ-CG1 4Å; F33-V111 HydrophobicContact CZ-CG2 4.16Å; F33-V114 HydrophobicContact CE2-CG2 4.07Å; F33-F148 AromaticContact CD2-CE1 3.77Å; F33-F148 HydrophobicContact CD2-CE1 3.77Å; F33-F148 AromaticContact CD2-CZ 3.74Å; F33-F148 HydrophobicContact CD2-CZ 3.74Å; F33-F148 AromaticContact CE2-CE1 3.89Å; F33-F148 HydrophobicContact CE2-CE1 3.89Å; F33-F148 HydrophobicContact CE2-CZ 4.29Å; F33-L152 HydrophobicContact CB-CD1 3.72Å; F33-L152 HydrophobicContact CB-CD2 4.41Å; F33-L152 HydrophobicContact CD1-CD1 4.1Å; F33-L152 HydrophobicContact CD1-CD2 3.51Å; F33-L152 HydrophobicContact CD1-CG 4.42Å; F33-L152 HydrophobicContact CD2-CD2 4.03Å; F33-L152 HydrophobicContact CE1-CD2 3.58Å; F33-L152 HydrophobicContact CE2-CD2 4.12Å; F33-L152 HydrophobicContact CG-CD1 3.96Å; F33-L152 HydrophobicContact CG-CD2 3.72Å; F33-L152 HydrophobicContact CZ-CD2 3.91Å; F33-W156 HydrophobicContact CD1-CH2 4.45Å; F33-W156 AromaticContact CD1-CZ2 3.74Å; F33-W156 HydrophobicContact CD1-CZ2 3.74Å; F33-W156 HydrophobicContact CE1-CH2 4.24Å; F33-W156 AromaticContact CE1-CZ2 3.96Å; F33-W156 HydrophobicContact CE1-CZ2 3.96Å; F33-M171 HydrophobicContact CE2-CE 4.06Å; F33-M171 HydrophobicContact CE2-SD 4.38Å; F33-M171 HydrophobicContact CZ-CE 3.83Å; F33-M171 HydrophobicContact CZ-SD 4.37Å |
| 34 | P | 87.1 | Confident | 77.3 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 132.8 | -175.1 | 26.9 | -35.5 | 0 | 0 | 0 | 111 | Y28 L40 P55 W156 | Y28-P34 HydrophobicContact CE1-CG 4.5Å; P34-L40 HydrophobicContact CB-CB 4.19Å; P34-L40 HydrophobicContact CB-CD1 4.27Å; P34-P55 HydrophobicContact CG-CG 4.26Å; P34-W156 VanDerWaalsContact O-CZ2 3.32Å; P34-W156 WeakPolarHBondContact O-CZ2 3.32Å |
| 35 | A | 85 | Confident | 77.4 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 155.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F33 N37 S38 C41 | F33-A35 PolarHBondContact O-N 3.45Å; A35-N37 WeakPolarHBondContact CB-OD1 3.42Å; A35-N37 PolarHBondContact O-N 2.94Å; A35-S38 WeakPolarHBondContact O-CB 3.04Å; A35-S38 PolarHBondContact O-N 3.25Å; A35-C41 PolarHBondContact O-SG 3.02Å |
| 36 | P | 82 | Confident | 77.1 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.2 | -178.4 | -27.4 | 34.7 | 0 | 0 | 0 | 114.7 | W156 V166 | P36-W156 HydrophobicContact CG-CD2 4.17Å; P36-W156 HydrophobicContact CG-CE3 3.98Å; P36-W156 HydrophobicContact CG-CZ3 4.17Å; P36-V166 HydrophobicContact CG-CG2 3.75Å |
| 37 | N | 77.9 | Confident | 76.1 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 7.1 | 177.9 | 72.3 | -32.6 | 0 | 0 | 0 | 113.8 | A35 Q42 L82 T163 | A35-N37 WeakPolarHBondContact CB-OD1 3.42Å; A35-N37 PolarHBondContact O-N 2.94Å; N37-Q42 VanDerWaalsContact CA-NE2 3.35Å; N37-Q42 PolarHBondContact O-NE2 3Å; N37-Q42 VanDerWaalsContact O-NE2 3.08Å; N37-L82 HydrophobicContact CB-CD2 4.05Å; N37-T163 VanDerWaalsContact CG-OG1 3.28Å; N37-T163 WeakPolarHBondContact ND2-CG2 3.19Å; N37-T163 PolarHBondContact ND2-OG1 3.35Å |
| 38 | S | 83 | Confident | 74.7 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -65.1 | 144.9 | 177.3 | 177 | 0 | 0 | 0 | 0 | 110.3 | A35 L40 C41 Q42 | A35-S38 WeakPolarHBondContact O-CB 3.04Å; A35-S38 PolarHBondContact O-N 3.25Å; S38-L40 PolarHBondContact O-N 3.42Å; S38-L40 VanDerWaalsContact O-N 3.12Å; S38-L40 PolarHBondContact OG-N 3.39Å; S38-C41 WeakPolarHBondContact O-CA 3.22Å; S38-C41 PolarHBondContact O-N 2.84Å; S38-Q42 WeakPolarHBondContact O-CG 3.33Å; S38-Q42 PolarHBondContact O-N 2.93Å |
| 39 | P | 79 | Confident | 73.4 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 64% | 0.643 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -51.1 | -34.6 | 169.5 | -27.3 | 35.4 | 0 | 0 | 0 | 112.7 | C41 Q42 T43 | P39-C41 PolarHBondContact O-N 3.42Å; P39-Q42 PolarHBondContact O-N 3.37Å; P39-Q42 VanDerWaalsContact O-N 3.1Å; P39-T43 WeakPolarHBondContact O-CG2 3.39Å; P39-T43 PolarHBondContact O-N 2.88Å; P39-T43 VanDerWaalsContact O-N 3.1Å |
| 40 | L | 81.2 | Confident | 72.5 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -26.3 | 176 | -66.4 | 176.3 | 0 | 0 | 0 | 113.5 | P34 S38 P55 | P34-L40 HydrophobicContact CB-CB 4.19Å; P34-L40 HydrophobicContact CB-CD1 4.27Å; S38-L40 PolarHBondContact O-N 3.42Å; S38-L40 VanDerWaalsContact O-N 3.12Å; S38-L40 PolarHBondContact OG-N 3.39Å; L40-P55 HydrophobicContact CB-CB 4.39Å |
| 41 | C | 80.8 | Confident | 72.2 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -96.6 | -21.1 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | A35 S38 P39 C53 | A35-C41 PolarHBondContact O-SG 3.02Å; S38-C41 WeakPolarHBondContact O-CA 3.22Å; S38-C41 PolarHBondContact O-N 2.84Å; P39-C41 PolarHBondContact O-N 3.42Å; C41-C53 VanDerWaalsContact CA-SG 3.55Å; C41-C53 HydrophobicContact CB-CB 3.58Å; C41-C53 WeakPolarHBondContact CB-SG 3.39Å; C41-C53 WeakPolarHBondContact SG-CB 3.24Å; C41-C53 CovalentContact SG-SG 2.03Å; C41-C53 PolarHBondContact SG-SG 3.49Å |
| 42 | Q | 68.9 | Low | 72.4 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -96.8 | -2.4 | -174.9 | -67.3 | -176.5 | -3.7 | 0 | 0 | 114.3 | N37 S38 P39 R44 | N37-Q42 VanDerWaalsContact CA-NE2 3.35Å; N37-Q42 PolarHBondContact O-NE2 3Å; N37-Q42 VanDerWaalsContact O-NE2 3.08Å; S38-Q42 WeakPolarHBondContact O-CG 3.33Å; S38-Q42 PolarHBondContact O-N 2.93Å; P39-Q42 PolarHBondContact O-N 3.37Å; P39-Q42 VanDerWaalsContact O-N 3.1Å; Q42-R44 CarbonylContact O-C 3.45Å; Q42-R44 PolarHBondContact O-N 2.86Å |
| 43 | T | 55.2 | Low | 72.4 | Confident | 108 Ų | 108 | 49.5 Ų | 49.5 | 66% | 0.663 | 27% | 0.269 | S | S | * | . | trans | -58.4 | -20.8 | -170.1 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | P39 S45 | P39-T43 WeakPolarHBondContact O-CG2 3.39Å; P39-T43 PolarHBondContact O-N 2.88Å; P39-T43 VanDerWaalsContact O-N 3.1Å; T43-S45 PolarHBondContact O-N 2.94Å | ||
| 44 | R | 55.3 | Low | 72.3 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 24% | 0.242 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -83.4 | 96.4 | 168.6 | -60.1 | -167.7 | -164.8 | -155 | 5.9 | 107.4 | Q42 D46 S49 D54 L59 S60 F64 | Q42-R44 CarbonylContact O-C 3.45Å; Q42-R44 PolarHBondContact O-N 2.86Å; R44-D46 PolarHBondContact O-N 2.92Å; R44-D46 VanDerWaalsContact O-O 3.07Å; R44-S49 PolarHBondContact O-OG 2.88Å; R44-D54 IonicContact NH2-OD2 3.35Å; R44-D54 PolarHBondContact NH2-OD2 2.89Å; R44-L59 PolarHBondContact NH2-O 3.49Å; R44-S60 PolarHBondContact NH1-O 3.43Å; R44-F64 HydrophobicContact CB-CZ 4.47Å; R44-F64 VanDerWaalsContact CZ-CD2 3.4Å |
| 45 | S | 48.3 | Very low | 72.3 | Confident | 130 Ų | 130 | 50.6 Ų | 50.6 | 91% | 0.909 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -45.9 | 4.8 | -173.2 | 47 | 0 | 0 | 0 | 0 | 118.9 | T43 | T43-S45 PolarHBondContact O-N 2.94Š|
| 46 | D | 49.2 | Very low | 72.4 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -102 | 129.9 | 170.8 | -158.3 | -25.2 | 0 | 0 | 0 | 109 | R44 R48 S49 | R44-D46 PolarHBondContact O-N 2.92Å; R44-D46 VanDerWaalsContact O-O 3.07Å; D46-R48 HydrophobicContact CB-CB 4.03Å; D46-R48 HydrophobicContact CB-CG 4.43Å; D46-R48 VanDerWaalsContact CG-CG 3.48Å; D46-R48 PolarHBondContact O-N 3.43Å; D46-R48 VanDerWaalsContact OD1-CG 3.25Å; D46-R48 WeakPolarHBondContact OD1-CG 3.36Å; D46-R48 PolarHBondContact OD1-N 2.91Å; D46-R48 IonicContact OD1-NE 3.74Å; D46-R48 WeakPolarHBondContact OD2-CD 3.28Å; D46-R48 IonicContact OD2-CZ 3.4Å; D46-R48 IonicContact OD2-NE 3.66Å; D46-R48 PolarHBondContact OD2-NE 3.15Å; D46-S49 WeakPolarHBondContact O-CB 3.47Å; D46-S49 PolarHBondContact O-N 3.43Å; D46-S49 PolarHBondContact O-OG 3.46Å |
| 47 | I | 49.2 | Very low | 72.6 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -52.6 | -19.3 | 170.5 | -164.3 | 164.7 | 0 | 0 | 0 | 112 | S49 A50 | I47-S49 PolarHBondContact O-N 3.19Å; I47-A50 VanDerWaalsContact O-CB 3.28Å; I47-A50 WeakPolarHBondContact O-CB 2.94Å; I47-A50 PolarHBondContact O-N 2.82Å |
| 48 | R | 55.2 | Low | 73.1 | Confident | 160 Ų | 160 | 55.9 Ų | 55.9 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -52.3 | -27.6 | 166.8 | -67.6 | 179.9 | -153.1 | -154.7 | -3.4 | 113.2 | D46 A50 H68 | D46-R48 HydrophobicContact CB-CB 4.03Å; D46-R48 HydrophobicContact CB-CG 4.43Å; D46-R48 VanDerWaalsContact CG-CG 3.48Å; D46-R48 PolarHBondContact O-N 3.43Å; D46-R48 VanDerWaalsContact OD1-CG 3.25Å; D46-R48 WeakPolarHBondContact OD1-CG 3.36Å; D46-R48 PolarHBondContact OD1-N 2.91Å; D46-R48 IonicContact OD1-NE 3.74Å; D46-R48 WeakPolarHBondContact OD2-CD 3.28Å; D46-R48 IonicContact OD2-CZ 3.4Å; D46-R48 IonicContact OD2-NE 3.66Å; D46-R48 PolarHBondContact OD2-NE 3.15Å; R48-A50 PolarHBondContact O-N 3.31Å; R48-H68 PolarHBondContact O-CE1 2.93Å; R48-H68 PolarHBondContact O-ND1 3.36Å |
| 49 | S | 61.3 | Low | 73.4 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -69.9 | -10.7 | 179.2 | 61.8 | 0 | 0 | 0 | 0 | 115 | R44 D46 I47 F51 I52 | R44-S49 PolarHBondContact O-OG 2.88Å; D46-S49 WeakPolarHBondContact O-CB 3.47Å; D46-S49 PolarHBondContact O-N 3.43Å; D46-S49 PolarHBondContact O-OG 3.46Å; I47-S49 PolarHBondContact O-N 3.19Å; S49-F51 PolarHBondContact O-N 3.08Å; S49-I52 PolarHBondContact O-N 3.46Å; S49-I52 VanDerWaalsContact O-O 3.09Å |
| 50 | A | 71.6 | Confident | 73.8 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -60.7 | -14.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | I47 R48 H80 L82 H107 | I47-A50 VanDerWaalsContact O-CB 3.28Å; I47-A50 WeakPolarHBondContact O-CB 2.94Å; I47-A50 PolarHBondContact O-N 2.82Å; R48-A50 PolarHBondContact O-N 3.31Å; A50-H80 HydrophobicContact CB-CB 3.96Å; A50-H80 WeakPolarHBondContact CB-ND1 3.38Å; A50-L82 HydrophobicContact CB-CB 4.11Å; A50-L82 HydrophobicContact CB-CD1 3.77Å; A50-L82 HydrophobicContact CB-CG 4.18Å; A50-H107 PolarHBondContact O-ND1 3.41Å |
| 51 | F | 81.5 | Confident | 74 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -77.9 | -25.9 | 172.8 | -68.2 | -84.9 | 0 | 0 | 0 | 113.1 | S49 H68 F71 T72 M78 H80 H107 L108 | S49-F51 PolarHBondContact O-N 3.08Å; F51-H68 AromaticContact CD2-CE1 3.75Å; F51-H68 AromaticContact CD2-ND1 3.6Å; F51-H68 AromaticContact CE2-CE1 3.87Å; F51-F71 HydrophobicContact CB-CB 4.26Å; F51-F71 HydrophobicContact CB-CD1 4.49Å; F51-F71 HydrophobicContact CB-CD2 3.93Å; F51-F71 HydrophobicContact CB-CE2 4.46Å; F51-F71 HydrophobicContact CB-CG 3.97Å; F51-F71 HydrophobicContact CD1-CB 3.53Å; F51-F71 AromaticContact CD1-CD1 3.77Å; F51-F71 HydrophobicContact CD1-CD1 3.77Å; F51-F71 HydrophobicContact CD1-CD2 4.49Å; F51-F71 AromaticContact CD1-CG 3.68Å; F51-F71 HydrophobicContact CD1-CG 3.68Å; F51-F71 HydrophobicContact CD2-CB 4.07Å; F51-F71 HydrophobicContact CE1-CB 3.7Å; F51-F71 HydrophobicContact CE1-CD1 4.32Å; F51-F71 HydrophobicContact CE1-CG 4.27Å; F51-F71 HydrophobicContact CE2-CB 4.23Å; F51-F71 HydrophobicContact CG-CB 3.7Å; F51-F71 HydrophobicContact CG-CD1 4.38Å; F51-F71 HydrophobicContact CG-CD2 4.3Å; F51-F71 AromaticContact CG-CG 3.88Å; F51-F71 HydrophobicContact CG-CG 3.88Å; F51-F71 HydrophobicContact CZ-CB 4.04Å; F51-T72 HydrophobicContact CD2-CG2 4.41Å; F51-T72 HydrophobicContact CE2-CG2 3.54Å; F51-T72 HydrophobicContact CZ-CG2 3.98Å; F51-M78 HydrophobicContact CE1-CB 4.37Å; F51-H80 HydrophobicContact CD1-CB 3.65Å; F51-H80 HydrophobicContact CD2-CB 3.88Å; F51-H80 HydrophobicContact CE1-CB 3.61Å; F51-H80 HydrophobicContact CE2-CB 3.83Å; F51-H80 AromaticContact CE2-CD2 3.62Å; F51-H80 HydrophobicContact CG-CB 3.81Å; F51-H80 HydrophobicContact CZ-CB 3.71Å; F51-H80 AromaticContact CZ-CD2 3.82Å; F51-H107 PolarHBondContact O-ND1 3.41Å; F51-L108 PolarHBondContact O-N 3.13Å |
| 52 | I | 88.5 | Confident | 74.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118.9 | -162.5 | -52.9 | 169.8 | 0 | 0 | 0 | 109.3 | S49 D54 F64 V67 H68 F71 L108 M110 | S49-I52 PolarHBondContact O-N 3.46Å; S49-I52 VanDerWaalsContact O-O 3.09Å; I52-D54 HydrophobicContact CG2-CB 4.35Å; I52-F64 HydrophobicContact CB-CD2 4.47Å; I52-F64 HydrophobicContact CB-CE2 3.67Å; I52-F64 HydrophobicContact CB-CZ 4Å; I52-F64 HydrophobicContact CD1-CD1 4.49Å; I52-F64 HydrophobicContact CD1-CD2 4.08Å; I52-F64 HydrophobicContact CD1-CE1 4.29Å; I52-F64 HydrophobicContact CD1-CE2 3.88Å; I52-F64 HydrophobicContact CD1-CG 4.37Å; I52-F64 HydrophobicContact CD1-CZ 3.97Å; I52-F64 HydrophobicContact CG1-CE2 4.38Å; I52-F64 HydrophobicContact CG1-CZ 4.49Å; I52-F64 HydrophobicContact CG2-CD2 4.09Å; I52-F64 HydrophobicContact CG2-CE2 3.63Å; I52-F64 HydrophobicContact CG2-CZ 4.45Å; I52-V67 HydrophobicContact CD1-CB 3.87Å; I52-V67 HydrophobicContact CD1-CG1 3.54Å; I52-V67 HydrophobicContact CG1-CG1 4.08Å; I52-H68 HydrophobicContact CD1-CB 4.12Å; I52-F71 HydrophobicContact CG1-CE2 4.43Å; I52-L108 CarbonylContact C-O 3.52Å; I52-L108 WeakPolarHBondContact CA-O 3.44Å; I52-L108 HydrophobicContact CG1-CD2 4.47Å; I52-L108 HydrophobicContact CG2-CD2 4.39Å; I52-M110 HydrophobicContact CG2-CE 3.38Å |
| 53 | C | 89.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.3 | 163.7 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | C41 P55 L108 V109 M110 | C41-C53 VanDerWaalsContact CA-SG 3.55Å; C41-C53 HydrophobicContact CB-CB 3.58Å; C41-C53 WeakPolarHBondContact CB-SG 3.39Å; C41-C53 WeakPolarHBondContact SG-CB 3.24Å; C41-C53 CovalentContact SG-SG 2.03Å; C41-C53 PolarHBondContact SG-SG 3.49Å; C53-P55 VanDerWaalsContact C-CD 3.47Å; C53-L108 PolarHBondContact N-O 2.68Å; C53-V109 HydrophobicContact CB-CB 4.27Å; C53-V109 HydrophobicContact CB-CG1 3.91Å; C53-V109 HydrophobicContact CB-CG2 3.84Å; C53-V109 WeakPolarHBondContact O-CA 3.49Å; C53-M110 PolarHBondContact O-N 2.8Å |
| 54 | D | 88.8 | Confident | 76.9 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | trans | -126.9 | 63.4 | -178.8 | -174.1 | 21.3 | 0 | 0 | 0 | 110.6 | R44 I52 D56 S57 W58 L59 M110 | R44-D54 IonicContact NH2-OD2 3.35Å; R44-D54 PolarHBondContact NH2-OD2 2.89Å; I52-D54 HydrophobicContact CG2-CB 4.35Å; D54-D56 PolarHBondContact O-N 2.87Å; D54-S57 PolarHBondContact O-N 2.79Å; D54-S57 VanDerWaalsContact O-N 3.09Å; D54-S57 PolarHBondContact OD1-N 2.88Å; D54-S57 WeakPolarHBondContact OD2-CA 3.29Å; D54-W58 VanDerWaalsContact CG-N 3.29Å; D54-W58 WeakPolarHBondContact OD1-CB 3.21Å; D54-W58 PolarHBondContact OD1-N 2.85Å; D54-W58 PolarHBondContact OD2-N 2.87Å; D54-L59 PolarHBondContact OD2-N 2.93Å; D54-M110 HydrophobicContact CB-CE 3.66Å | ||
| 55 | P | 86.7 | Confident | 78.3 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29 | -173.1 | 28.6 | -37.5 | 0 | 0 | 0 | 112.4 | Y28 P34 L40 C53 S57 M110 V111 | Y28-P55 HydrophobicContact CE2-CG 4.3Å; P34-P55 HydrophobicContact CG-CG 4.26Å; L40-P55 HydrophobicContact CB-CB 4.39Å; C53-P55 VanDerWaalsContact C-CD 3.47Å; P55-S57 VanDerWaalsContact C-N 3.32Å; P55-M110 WeakPolarHBondContact CD-O 3.42Å; P55-V111 HydrophobicContact CG-CG1 3.81Å |
| 56 | D | 88.3 | Confident | 80.2 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 7.5 | 179.2 | -72.8 | -55.9 | 0 | 0 | 0 | 113.2 | D54 W58 V111 N112 | D54-D56 PolarHBondContact O-N 2.87Å; D56-W58 PolarHBondContact O-N 3.22Å; D56-V111 VanDerWaalsContact OD2-CA 3.28Å; D56-V111 WeakPolarHBondContact OD2-CA 3.32Å; D56-N112 HydrophobicContact CB-CB 4.4Å; D56-N112 WeakPolarHBondContact CB-ND2 3.43Å; D56-N112 VanDerWaalsContact CG-ND2 3.26Å; D56-N112 PolarHBondContact OD1-ND2 3.42Å; D56-N112 PolarHBondContact OD2-N 2.94Å |
| 57 | S | 86.9 | Confident | 82.1 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | trans | 52.3 | 48.8 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | D54 P55 L59 | D54-S57 PolarHBondContact O-N 2.79Å; D54-S57 VanDerWaalsContact O-N 3.09Å; D54-S57 PolarHBondContact OD1-N 2.88Å; D54-S57 WeakPolarHBondContact OD2-CA 3.29Å; P55-S57 VanDerWaalsContact C-N 3.32Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 3.43Å | ||
| 58 | W | 88.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 41.8 Ų | 41.8 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | trans | -65.5 | -34.8 | 177.6 | -75.2 | 22.8 | 0 | 0 | 0 | 113 | D54 D56 M110 V111 N112 M172 K174 P193 V227 | D54-W58 VanDerWaalsContact CG-N 3.29Å; D54-W58 WeakPolarHBondContact OD1-CB 3.21Å; D54-W58 PolarHBondContact OD1-N 2.85Å; D54-W58 PolarHBondContact OD2-N 2.87Å; D56-W58 PolarHBondContact O-N 3.22Å; W58-M110 HydrophobicContact CD2-CB 3.91Å; W58-M110 HydrophobicContact CE3-CB 3.74Å; W58-M110 HydrophobicContact CE3-CG 4.06Å; W58-M110 HydrophobicContact CE3-SD 4.35Å; W58-M110 HydrophobicContact CG-CB 4.37Å; W58-M110 HydrophobicContact CZ3-CB 4.06Å; W58-M110 HydrophobicContact CZ3-CG 4.27Å; W58-V111 WeakPolarHBondContact CZ2-O 3.49Å; W58-N112 PolarHBondContact NE1-OD1 2.9Å; W58-M172 HydrophobicContact CH2-CB 4.34Å; W58-M172 HydrophobicContact CZ3-CB 3.98Å; W58-K174 VanDerWaalsContact CE2-CE 3.4Å; W58-K174 HydrophobicContact CH2-CB 4.35Å; W58-K174 HydrophobicContact CH2-CD 4.05Å; W58-K174 HydrophobicContact CH2-CG 3.59Å; W58-K174 HydrophobicContact CZ2-CB 4.03Å; W58-K174 HydrophobicContact CZ2-CD 3.4Å; W58-K174 VanDerWaalsContact CZ2-CD 3.4Å; W58-K174 VanDerWaalsContact CZ2-CE 3.46Å; W58-K174 HydrophobicContact CZ2-CG 3.38Å; W58-K174 HydrophobicContact CZ3-CG 4.49Å; W58-P193 HydrophobicContact CH2-CB 3.44Å; W58-P193 VanDerWaalsContact CH2-CB 3.44Å; W58-P193 HydrophobicContact CH2-CG 4.05Å; W58-P193 HydrophobicContact CZ3-CB 3.53Å; W58-P193 HydrophobicContact CZ3-CG 3.61Å; W58-V227 HydrophobicContact CE3-CG2 4.21Å | ||
| 59 | L | 88.2 | Confident | 85.2 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -97.9 | 134.2 | -170 | -58.9 | -173.5 | 0 | 0 | 0 | 111.3 | R44 D54 S57 A63 F64 V67 M110 V227 | R44-L59 PolarHBondContact NH2-O 3.49Å; D54-L59 PolarHBondContact OD2-N 2.93Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 3.43Å; L59-A63 HydrophobicContact CB-CB 4.19Å; L59-A63 HydrophobicContact CD2-CB 4.16Å; L59-F64 HydrophobicContact CB-CB 4.07Å; L59-F64 HydrophobicContact CD1-CB 4.27Å; L59-F64 HydrophobicContact CD1-CD2 4.25Å; L59-V67 HydrophobicContact CD1-CB 4.41Å; L59-V67 HydrophobicContact CD1-CG2 4.04Å; L59-M110 HydrophobicContact CD1-CE 3.6Å; L59-M110 HydrophobicContact CD1-SD 3.97Å; L59-M110 HydrophobicContact CD2-SD 4.27Å; L59-M110 HydrophobicContact CG-CE 3.92Å; L59-M110 HydrophobicContact CG-SD 4.07Å; L59-V227 HydrophobicContact CD2-CB 3.85Å; L59-V227 HydrophobicContact CD2-CG1 3.84Å; L59-V227 HydrophobicContact CD2-CG2 4.29Å |
| 60 | S | 88.4 | Confident | 86.4 | Confident | 61 Ų | 61 | 40.2 Ų | 40.2 | 43% | 0.427 | 23% | 0.231 | S | C | . | . | trans | -60.7 | 169 | 159.9 | 84.2 | 0 | 0 | 0 | 0 | 110.5 | R44 E62 A63 F64 | R44-S60 PolarHBondContact NH1-O 3.43Å; S60-E62 VanDerWaalsContact C-N 3.28Å; S60-E62 VanDerWaalsContact CB-OE2 3.3Å; S60-E62 WeakPolarHBondContact CB-OE2 3.09Å; S60-E62 PolarHBondContact O-N 2.72Å; S60-E62 PolarHBondContact OG-N 3.28Å; S60-E62 PolarHBondContact OG-OE2 2.64Å; S60-A63 PolarHBondContact O-N 2.9Å; S60-A63 PolarHBondContact OG-N 2.92Å; S60-F64 VanDerWaalsContact O-CB 3.27Å; S60-F64 WeakPolarHBondContact O-CB 3.49Å; S60-F64 PolarHBondContact O-N 3.16Å | ||
| 61 | T | 85.5 | Confident | 86.9 | Confident | 87 Ų | 87 | 40 Ų | 40 | 53% | 0.534 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | F64 N65 | T61-F64 PolarHBondContact O-N 2.97Å; T61-N65 VanDerWaalsContact O-CG 3.26Å; T61-N65 PolarHBondContact O-N 3.06Å; T61-N65 PolarHBondContact O-ND2 3.01Å |
| 62 | E | 87.5 | Confident | 86.7 | Confident | 125 Ų | 125 | 43 Ų | 43 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.5 | -45.2 | -179.7 | -55.3 | 70.5 | -149.7 | 0 | 0 | 111.4 | S60 F64 N65 S66 | S60-E62 VanDerWaalsContact C-N 3.28Å; S60-E62 VanDerWaalsContact CB-OE2 3.3Å; S60-E62 WeakPolarHBondContact CB-OE2 3.09Å; S60-E62 PolarHBondContact O-N 2.72Å; S60-E62 PolarHBondContact OG-N 3.28Å; S60-E62 PolarHBondContact OG-OE2 2.64Å; E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 3.21Å; E62-N65 PolarHBondContact O-N 3.01Å; E62-S66 WeakPolarHBondContact O-CB 3.38Å; E62-S66 PolarHBondContact O-N 3.31Å; E62-S66 PolarHBondContact O-OG 3.12Å |
| 63 | A | 89 | Confident | 86 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L59 S60 S66 V67 P228 | L59-A63 HydrophobicContact CB-CB 4.19Å; L59-A63 HydrophobicContact CD2-CB 4.16Å; S60-A63 PolarHBondContact O-N 2.9Å; S60-A63 PolarHBondContact OG-N 2.92Å; A63-S66 WeakPolarHBondContact O-CB 3.37Å; A63-S66 PolarHBondContact O-N 3.35Å; A63-V67 WeakPolarHBondContact O-CG2 3.08Å; A63-V67 PolarHBondContact O-N 3.19Å; A63-P228 HydrophobicContact CB-CG 4.34Å |
| 64 | F | 88 | Confident | 84.5 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 175.5 | -176 | -83.6 | 0 | 0 | 0 | 112.4 | R44 I52 L59 S60 T61 E62 S66 V67 H68 | R44-F64 HydrophobicContact CB-CZ 4.47Å; R44-F64 VanDerWaalsContact CZ-CD2 3.4Å; I52-F64 HydrophobicContact CB-CD2 4.47Å; I52-F64 HydrophobicContact CB-CE2 3.67Å; I52-F64 HydrophobicContact CB-CZ 4Å; I52-F64 HydrophobicContact CD1-CD1 4.49Å; I52-F64 HydrophobicContact CD1-CD2 4.08Å; I52-F64 HydrophobicContact CD1-CE1 4.29Å; I52-F64 HydrophobicContact CD1-CE2 3.88Å; I52-F64 HydrophobicContact CD1-CG 4.37Å; I52-F64 HydrophobicContact CD1-CZ 3.97Å; I52-F64 HydrophobicContact CG1-CE2 4.38Å; I52-F64 HydrophobicContact CG1-CZ 4.49Å; I52-F64 HydrophobicContact CG2-CD2 4.09Å; I52-F64 HydrophobicContact CG2-CE2 3.63Å; I52-F64 HydrophobicContact CG2-CZ 4.45Å; L59-F64 HydrophobicContact CB-CB 4.07Å; L59-F64 HydrophobicContact CD1-CB 4.27Å; L59-F64 HydrophobicContact CD1-CD2 4.25Å; S60-F64 VanDerWaalsContact O-CB 3.27Å; S60-F64 WeakPolarHBondContact O-CB 3.49Å; S60-F64 PolarHBondContact O-N 3.16Å; T61-F64 PolarHBondContact O-N 2.97Å; E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 3.21Å; F64-S66 VanDerWaalsContact C-N 3.27Å; F64-S66 PolarHBondContact O-N 2.79Å; F64-V67 PolarHBondContact O-N 2.8Å; F64-H68 WeakPolarHBondContact O-CB 3.28Å; F64-H68 PolarHBondContact O-N 3.3Å |
| 65 | N | 85.8 | Confident | 83.2 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.7 | -71.7 | -21.4 | 0 | 0 | 0 | 111.3 | T61 E62 H68 L69 | T61-N65 VanDerWaalsContact O-CG 3.26Å; T61-N65 PolarHBondContact O-N 3.06Å; T61-N65 PolarHBondContact O-ND2 3.01Å; E62-N65 PolarHBondContact O-N 3.01Å; N65-H68 PolarHBondContact O-N 3.28Å; N65-L69 VanDerWaalsContact O-CG 3.29Å; N65-L69 WeakPolarHBondContact O-CG 3.41Å; N65-L69 PolarHBondContact O-N 2.76Å |
| 66 | S | 87.8 | Confident | 82.2 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | E62 A63 F64 H68 L69 L70 | E62-S66 WeakPolarHBondContact O-CB 3.38Å; E62-S66 PolarHBondContact O-N 3.31Å; E62-S66 PolarHBondContact O-OG 3.12Å; A63-S66 WeakPolarHBondContact O-CB 3.37Å; A63-S66 PolarHBondContact O-N 3.35Å; F64-S66 VanDerWaalsContact C-N 3.27Å; F64-S66 PolarHBondContact O-N 2.79Å; S66-H68 PolarHBondContact O-N 2.92Å; S66-L69 PolarHBondContact O-N 3.43Å; S66-L70 PolarHBondContact O-N 2.87Å |
| 67 | V | 88.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.7 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | I52 L59 A63 F64 L69 L70 F71 L108 P228 V231 | I52-V67 HydrophobicContact CD1-CB 3.87Å; I52-V67 HydrophobicContact CD1-CG1 3.54Å; I52-V67 HydrophobicContact CG1-CG1 4.08Å; L59-V67 HydrophobicContact CD1-CB 4.41Å; L59-V67 HydrophobicContact CD1-CG2 4.04Å; A63-V67 WeakPolarHBondContact O-CG2 3.08Å; A63-V67 PolarHBondContact O-N 3.19Å; F64-V67 PolarHBondContact O-N 2.8Å; V67-L69 VanDerWaalsContact C-N 3.3Å; V67-L69 PolarHBondContact O-N 2.79Å; V67-L70 VanDerWaalsContact O-CB 3.31Å; V67-L70 WeakPolarHBondContact O-CB 3.5Å; V67-L70 PolarHBondContact O-N 2.82Å; V67-L70 VanDerWaalsContact O-N 3.09Å; V67-F71 HydrophobicContact CG1-CD2 4.21Å; V67-F71 HydrophobicContact CG1-CE2 3.73Å; V67-F71 VanDerWaalsContact O-CD2 3.25Å; V67-F71 WeakPolarHBondContact O-CD2 3.23Å; V67-F71 PolarHBondContact O-N 3.38Å; V67-L108 HydrophobicContact CG1-CD2 3.6Å; V67-P228 HydrophobicContact CG2-CB 4.03Å; V67-P228 HydrophobicContact CG2-CG 3.92Å; V67-V231 HydrophobicContact CG1-CG1 4.14Å; V67-V231 HydrophobicContact CG1-CG2 4.44Å |
| 68 | H | 85.6 | Confident | 80.7 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 177.7 | 174.6 | 64.6 | 0 | 0 | 0 | 112.4 | R48 F51 I52 F64 N65 S66 L70 F71 T72 | R48-H68 PolarHBondContact O-CE1 2.93Å; R48-H68 PolarHBondContact O-ND1 3.36Å; F51-H68 AromaticContact CD2-CE1 3.75Å; F51-H68 AromaticContact CD2-ND1 3.6Å; F51-H68 AromaticContact CE2-CE1 3.87Å; I52-H68 HydrophobicContact CD1-CB 4.12Å; F64-H68 WeakPolarHBondContact O-CB 3.28Å; F64-H68 PolarHBondContact O-N 3.3Å; N65-H68 PolarHBondContact O-N 3.28Å; S66-H68 PolarHBondContact O-N 2.92Å; H68-L70 PolarHBondContact O-N 3.41Å; H68-F71 PolarHBondContact O-N 2.82Å; H68-T72 PolarHBondContact O-N 3.04Å; H68-T72 PolarHBondContact O-OG1 2.93Å; H68-T72 VanDerWaalsContact O-OG1 3.05Å |
| 69 | L | 85.1 | Confident | 80 | Confident | 112 Ų | 112 | 59.8 Ų | 59.8 | 59% | 0.586 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.5 | -31.2 | 176.1 | -74.1 | 170 | 0 | 0 | 0 | 112.3 | N65 S66 V67 F71 T72 S73 | N65-L69 VanDerWaalsContact O-CG 3.29Å; N65-L69 WeakPolarHBondContact O-CG 3.41Å; N65-L69 PolarHBondContact O-N 2.76Å; S66-L69 PolarHBondContact O-N 3.43Å; V67-L69 VanDerWaalsContact C-N 3.3Å; V67-L69 PolarHBondContact O-N 2.79Å; L69-F71 PolarHBondContact O-N 2.91Å; L69-T72 WeakPolarHBondContact CA-OG1 3.28Å; L69-T72 PolarHBondContact O-N 2.89Å; L69-T72 PolarHBondContact O-OG1 3.48Å; L69-S73 WeakPolarHBondContact O-CA 3.43Å; L69-S73 VanDerWaalsContact O-CB 3.26Å; L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 3.23Å |
| 70 | L | 86.5 | Confident | 79.3 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.1 | -62.3 | 171.4 | 0 | 0 | 0 | 111.3 | S66 V67 H68 T72 S73 V231 E232 L235 | S66-L70 PolarHBondContact O-N 2.87Å; V67-L70 VanDerWaalsContact O-CB 3.31Å; V67-L70 WeakPolarHBondContact O-CB 3.5Å; V67-L70 PolarHBondContact O-N 2.82Å; V67-L70 VanDerWaalsContact O-N 3.09Å; H68-L70 PolarHBondContact O-N 3.41Å; L70-T72 VanDerWaalsContact C-N 3.32Å; L70-T72 PolarHBondContact O-N 2.87Å; L70-S73 PolarHBondContact O-N 2.89Å; L70-S73 PolarHBondContact O-OG 2.73Å; L70-V231 HydrophobicContact CD1-CB 4.25Å; L70-V231 HydrophobicContact CD1-CG1 4.08Å; L70-E232 HydrophobicContact CD1-CB 3.75Å; L70-E232 HydrophobicContact CD2-CB 3.89Å; L70-E232 HydrophobicContact CD2-CG 3.86Å; L70-E232 HydrophobicContact CG-CB 4.47Å; L70-L235 HydrophobicContact CB-CD1 3.95Å |
| 71 | F | 82.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.7 | -29.1 | 179.7 | -73.3 | -75.5 | 0 | 0 | 0 | 114.1 | F51 I52 V67 H68 L69 M78 T106 L108 L170 V231 L235 | F51-F71 HydrophobicContact CB-CB 4.26Å; F51-F71 HydrophobicContact CB-CD1 4.49Å; F51-F71 HydrophobicContact CB-CD2 3.93Å; F51-F71 HydrophobicContact CB-CE2 4.46Å; F51-F71 HydrophobicContact CB-CG 3.97Å; F51-F71 HydrophobicContact CD1-CB 3.53Å; F51-F71 AromaticContact CD1-CD1 3.77Å; F51-F71 HydrophobicContact CD1-CD1 3.77Å; F51-F71 HydrophobicContact CD1-CD2 4.49Å; F51-F71 AromaticContact CD1-CG 3.68Å; F51-F71 HydrophobicContact CD1-CG 3.68Å; F51-F71 HydrophobicContact CD2-CB 4.07Å; F51-F71 HydrophobicContact CE1-CB 3.7Å; F51-F71 HydrophobicContact CE1-CD1 4.32Å; F51-F71 HydrophobicContact CE1-CG 4.27Å; F51-F71 HydrophobicContact CE2-CB 4.23Å; F51-F71 HydrophobicContact CG-CB 3.7Å; F51-F71 HydrophobicContact CG-CD1 4.38Å; F51-F71 HydrophobicContact CG-CD2 4.3Å; F51-F71 AromaticContact CG-CG 3.88Å; F51-F71 HydrophobicContact CG-CG 3.88Å; F51-F71 HydrophobicContact CZ-CB 4.04Å; I52-F71 HydrophobicContact CG1-CE2 4.43Å; V67-F71 HydrophobicContact CG1-CD2 4.21Å; V67-F71 HydrophobicContact CG1-CE2 3.73Å; V67-F71 VanDerWaalsContact O-CD2 3.25Å; V67-F71 WeakPolarHBondContact O-CD2 3.23Å; V67-F71 PolarHBondContact O-N 3.38Å; H68-F71 PolarHBondContact O-N 2.82Å; L69-F71 PolarHBondContact O-N 2.91Å; F71-M78 HydrophobicContact CD1-CB 4.29Å; F71-T106 HydrophobicContact CD1-CG2 4.33Å; F71-T106 HydrophobicContact CE1-CG2 3.61Å; F71-L108 HydrophobicContact CE2-CB 4.09Å; F71-L108 HydrophobicContact CE2-CD2 4.14Å; F71-L108 HydrophobicContact CZ-CB 3.79Å; F71-L108 HydrophobicContact CZ-CD2 4.39Å; F71-L170 HydrophobicContact CE1-CD1 4.01Å; F71-L170 HydrophobicContact CZ-CD1 3.9Å; F71-V231 HydrophobicContact CE2-CG1 3.97Å; F71-V231 HydrophobicContact CZ-CG1 3.98Å; F71-L235 HydrophobicContact CD1-CD1 4.11Å; F71-L235 HydrophobicContact CD1-CD2 4.29Å; F71-L235 HydrophobicContact CE1-CD1 3.9Å; F71-L235 HydrophobicContact CE1-CD2 3.76Å; F71-L235 HydrophobicContact CE1-CG 4.39Å; F71-L235 HydrophobicContact CE2-CD1 4.42Å; F71-L235 HydrophobicContact CG-CD1 4.45Å; F71-L235 HydrophobicContact CZ-CD1 4.04Å; F71-L235 HydrophobicContact CZ-CD2 4.39Å |
| 72 | T | 76.4 | Confident | 77.9 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -98.9 | -3.6 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 113 | F51 H68 L69 L70 | F51-T72 HydrophobicContact CD2-CG2 4.41Å; F51-T72 HydrophobicContact CE2-CG2 3.54Å; F51-T72 HydrophobicContact CZ-CG2 3.98Å; H68-T72 PolarHBondContact O-N 3.04Å; H68-T72 PolarHBondContact O-OG1 2.93Å; H68-T72 VanDerWaalsContact O-OG1 3.05Å; L69-T72 WeakPolarHBondContact CA-OG1 3.28Å; L69-T72 PolarHBondContact O-N 2.89Å; L69-T72 PolarHBondContact O-OG1 3.48Å; L70-T72 VanDerWaalsContact C-N 3.32Å; L70-T72 PolarHBondContact O-N 2.87Å |
| 73 | S | 74.4 | Confident | 76.7 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -64.2 | 147.6 | -179.8 | 75.1 | 0 | 0 | 0 | 0 | 111.1 | L69 L70 K75 I76 | L69-S73 WeakPolarHBondContact O-CA 3.43Å; L69-S73 VanDerWaalsContact O-CB 3.26Å; L69-S73 WeakPolarHBondContact O-CB 3.33Å; L69-S73 PolarHBondContact O-N 3.23Å; L70-S73 PolarHBondContact O-N 2.89Å; L70-S73 PolarHBondContact O-OG 2.73Å; S73-K75 PolarHBondContact O-N 2.93Å; S73-K75 VanDerWaalsContact O-N 3.08Å; S73-I76 CarbonylContact O-C 3.42Å; S73-I76 PolarHBondContact O-N 2.85Å; S73-I76 VanDerWaalsContact O-N 3.12Å; S73-I76 PolarHBondContact OG-N 2.68Å |
| 74 | S | 57.2 | Low | 74.9 | Confident | 112 Ų | 112 | 54.4 Ų | 54.4 | 78% | 0.783 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.7 | 176 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 75 | K | 61.2 | Low | 72.9 | Confident | 149 Ų | 149 | 63.9 Ų | 63.9 | 65% | 0.648 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -36.7 | 176.8 | -64.5 | -176.8 | -179.2 | 178.5 | 0 | 111.9 | S73 E239 | S73-K75 PolarHBondContact O-N 2.93Å; S73-K75 VanDerWaalsContact O-N 3.08Å; K75-E239 VanDerWaalsContact O-OE1 3.11Å |
| 76 | I | 66.1 | Low | 70.6 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -120.6 | 91.3 | -173.8 | -64.9 | 155.3 | 0 | 0 | 0 | 106.3 | S73 M78 L235 L236 | S73-I76 CarbonylContact O-C 3.42Å; S73-I76 PolarHBondContact O-N 2.85Å; S73-I76 VanDerWaalsContact O-N 3.12Å; S73-I76 PolarHBondContact OG-N 2.68Å; I76-M78 HydrophobicContact CG2-CB 4.37Å; I76-M78 HydrophobicContact CG2-CE 4.25Å; I76-M78 HydrophobicContact CG2-CG 3.48Å; I76-M78 VanDerWaalsContact CG2-CG 3.48Å; I76-M78 PolarHBondContact O-N 3.48Å; I76-L235 HydrophobicContact CD1-CB 3.62Å; I76-L235 HydrophobicContact CD1-CD1 4.1Å; I76-L235 HydrophobicContact CD1-CG 4.5Å; I76-L235 HydrophobicContact CG1-CB 4.19Å; I76-L235 HydrophobicContact CG2-CB 4.12Å; I76-L235 HydrophobicContact CG2-CD1 4.24Å; I76-L235 HydrophobicContact CG2-CD2 4.19Å; I76-L235 HydrophobicContact CG2-CG 4.42Å; I76-L236 HydrophobicContact CD1-CD2 4.28Å; I76-L236 HydrophobicContact CG1-CD2 4.39Å |
| 77 | R | 67.4 | Low | 68.3 | Low | 207 Ų | 207 | 69.8 Ų | 69.8 | 78% | 0.781 | 34% | 0.339 | S | S | * | . | trans | -76.3 | 65.9 | -176.4 | -66 | -174.1 | 178.9 | -168 | 0.1 | 111.8 | ||||
| 78 | M | 76.1 | Confident | 65.7 | Low | 18 Ų | 18 | 76.8 Ų | 76.8 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | trans | -95.9 | 143.6 | 175.1 | -61 | -60.6 | -176.1 | 0 | 0 | 110.3 | F51 F71 I76 T106 I168 L235 L238 L242 | F51-M78 HydrophobicContact CE1-CB 4.37Å; F71-M78 HydrophobicContact CD1-CB 4.29Å; I76-M78 HydrophobicContact CG2-CB 4.37Å; I76-M78 HydrophobicContact CG2-CE 4.25Å; I76-M78 HydrophobicContact CG2-CG 3.48Å; I76-M78 VanDerWaalsContact CG2-CG 3.48Å; I76-M78 PolarHBondContact O-N 3.48Å; M78-T106 PolarHBondContact SD-OG1 2.82Å; M78-I168 HydrophobicContact CE-CD1 4.29Å; M78-I168 HydrophobicContact SD-CD1 4.18Å; M78-L235 HydrophobicContact CE-CD2 4.43Å; M78-L238 HydrophobicContact CE-CD2 4.24Å; M78-L242 HydrophobicContact CE-CD1 3.88Å | ||
| 79 | T | 74.3 | Confident | 63.4 | Low | 45 Ų | 45 | 80.8 Ų | 80.8 | 28% | 0.276 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -106.1 | 150.4 | 171.2 | 66.6 | 0 | 0 | 0 | 0 | 108.4 | E104 S105 T106 | T79-E104 HydrophobicContact CG2-CB 4.1Å; T79-E104 PolarHBondContact N-O 3.48Å; T79-E104 VanDerWaalsContact O-O 3.11Å; T79-E104 WeakPolarHBondContact OG1-CB 3.4Å; T79-E104 PolarHBondContact OG1-O 2.93Å; T79-S105 CarbonylContact O-C 3.57Å; T79-S105 VanDerWaalsContact O-CA 3.24Å; T79-S105 WeakPolarHBondContact O-CA 3.37Å; T79-T106 PolarHBondContact O-N 2.78Å |
| 80 | H | 73.8 | Confident | 60.7 | Low | 11 Ų | 11 | 79.9 Ų | 79.9 | 5% | 0.051 | 41% | 0.406 | C | S | . | . | trans | -89.7 | 151.9 | 170.2 | 65.1 | 96.7 | 0 | 0 | 0 | 109.8 | A50 F51 L82 N83 | A50-H80 HydrophobicContact CB-CB 3.96Å; A50-H80 WeakPolarHBondContact CB-ND1 3.38Å; F51-H80 HydrophobicContact CD1-CB 3.65Å; F51-H80 HydrophobicContact CD2-CB 3.88Å; F51-H80 HydrophobicContact CE1-CB 3.61Å; F51-H80 HydrophobicContact CE2-CB 3.83Å; F51-H80 AromaticContact CE2-CD2 3.62Å; F51-H80 HydrophobicContact CG-CB 3.81Å; F51-H80 HydrophobicContact CZ-CB 3.71Å; F51-H80 AromaticContact CZ-CD2 3.82Å; H80-L82 VanDerWaalsContact C-N 3.27Å; H80-L82 PolarHBondContact ND1-N 2.9Å; H80-L82 PolarHBondContact O-N 3.47Å; H80-N83 WeakPolarHBondContact CE1-CB 3.44Å; H80-N83 PolarHBondContact CE1-N 2.98Å; H80-N83 PolarHBondContact CE1-OD1 3.48Å; H80-N83 VanDerWaalsContact CE1-OD1 3.28Å; H80-N83 PolarHBondContact ND1-N 3.38Å; H80-N83 WeakPolarHBondContact NE2-CB 3.35Å; H80-N83 PolarHBondContact NE2-ND2 3.06Å; H80-N83 PolarHBondContact NE2-OD1 3.04Å; H80-N83 PolarHBondContact O-N 3.33Å | ||
| 81 | C | 74.1 | Confident | 58.1 | Low | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.014 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -60 | -36.1 | -177.5 | 84.2 | 0 | 0 | 0 | 0 | 112.1 | N83 H84 S105 C164 L165 V166 | C81-N83 VanDerWaalsContact C-N 3.33Å; C81-N83 PolarHBondContact O-N 3.36Å; C81-H84 VanDerWaalsContact O-CB 3.3Å; C81-H84 WeakPolarHBondContact O-CB 3.36Å; C81-H84 PolarHBondContact O-N 2.8Å; C81-S105 WeakPolarHBondContact CA-OG 3.14Å; C81-S105 WeakPolarHBondContact CB-OG 3.26Å; C81-S105 PolarHBondContact N-OG 2.93Å; C81-C164 HydrophobicContact CB-CB 3.37Å; C81-C164 WeakPolarHBondContact CB-SG 3.47Å; C81-C164 WeakPolarHBondContact O-CB 3.35Å; C81-C164 WeakPolarHBondContact SG-CB 3.44Å; C81-C164 CovalentContact SG-SG 2.06Å; C81-C164 PolarHBondContact SG-SG 3.38Å; C81-L165 VanDerWaalsContact CB-O 3.25Å; C81-L165 WeakPolarHBondContact CB-O 3.37Å; C81-V166 HydrophobicContact CB-CG2 3.93Å |
| 82 | L | 68.7 | Low | 55.9 | Low | 39 Ų | 39 | 91.1 Ų | 91.1 | 20% | 0.204 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -72.5 | -19.8 | -177.6 | -58.7 | 177.6 | 0 | 0 | 0 | 114.4 | N37 A50 H80 C164 | N37-L82 HydrophobicContact CB-CD2 4.05Å; A50-L82 HydrophobicContact CB-CB 4.11Å; A50-L82 HydrophobicContact CB-CD1 3.77Å; A50-L82 HydrophobicContact CB-CG 4.18Å; H80-L82 VanDerWaalsContact C-N 3.27Å; H80-L82 PolarHBondContact ND1-N 2.9Å; H80-L82 PolarHBondContact O-N 3.47Å; L82-C164 HydrophobicContact CD2-CB 4.05Å |
| 83 | N | 62.5 | Low | 53.8 | Low | 103 Ų | 103 | 91.8 Ų | 91.8 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -83.4 | -4.8 | 175.4 | -104.7 | 5.9 | 0 | 0 | 0 | 112.1 | H80 C81 R85 | H80-N83 WeakPolarHBondContact CE1-CB 3.44Å; H80-N83 PolarHBondContact CE1-N 2.98Å; H80-N83 PolarHBondContact CE1-OD1 3.48Å; H80-N83 VanDerWaalsContact CE1-OD1 3.28Å; H80-N83 PolarHBondContact ND1-N 3.38Å; H80-N83 WeakPolarHBondContact NE2-CB 3.35Å; H80-N83 PolarHBondContact NE2-ND2 3.06Å; H80-N83 PolarHBondContact NE2-OD1 3.04Å; H80-N83 PolarHBondContact O-N 3.33Å; C81-N83 VanDerWaalsContact C-N 3.33Å; C81-N83 PolarHBondContact O-N 3.36Å; N83-R85 PolarHBondContact O-N 2.8Å |
| 84 | H | 52.4 | Low | 51.8 | Low | 39 Ų | 39 | 95.1 Ų | 95.1 | 18% | 0.181 | 51% | 0.508 | C | S | . | . | trans | -73.8 | 35.9 | 175.3 | -107.3 | 60.1 | 0 | 0 | 0 | 112.8 | C81 N86 R87 E104 | C81-H84 VanDerWaalsContact O-CB 3.3Å; C81-H84 WeakPolarHBondContact O-CB 3.36Å; C81-H84 PolarHBondContact O-N 2.8Å; H84-N86 PolarHBondContact O-N 3.28Å; H84-R87 PolarHBondContact NE2-NH1 3.5Å; H84-R87 PolarHBondContact O-N 3.01Å; H84-E104 IonicContact CE1-OE2 3.81Å | ||
| 85 | R | 44.2 | Very low | 50.9 | Low | 211 Ų | 211 | 96.4 Ų | 96.4 | 80% | 0.796 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -13.1 | 177.3 | -75.3 | -170.1 | 179.5 | -170.2 | 0.3 | 113.9 | N83 | N83-R85 PolarHBondContact O-N 2.8Š|
| 86 | N | 39 | Very low | 49.7 | Very low | 160 Ų | 160 | 93.3 Ų | 93.3 | 86% | 0.856 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 10 | -173.1 | -71.7 | -14.1 | 0 | 0 | 0 | 115.8 | H84 | H84-N86 PolarHBondContact O-N 3.28Š|
| 87 | R | 38.9 | Very low | 48.2 | Very low | 106 Ų | 106 | 101 Ų | 101 | 40% | 0.4 | 54% | 0.538 | S | S | . | . | trans | -105.3 | 82.9 | 162.3 | -70.8 | -165.5 | -176.5 | 140.3 | 0.9 | 107.8 | H84 N102 E104 | H84-R87 PolarHBondContact NE2-NH1 3.5Å; H84-R87 PolarHBondContact O-N 3.01Å; R87-N102 PolarHBondContact NH1-O 3.29Å; R87-E104 IonicContact CZ-OE2 2.77Å; R87-E104 VanDerWaalsContact CZ-OE2 3.25Å; R87-E104 IonicContact NH1-OE2 3.92Å; R87-E104 PolarHBondContact NH1-OE2 3.2Å; R87-E104 IonicContact NH2-OE1 2.95Å; R87-E104 IonicContact NH2-OE2 2.97Å; R87-E104 PolarHBondContact NH2-OE2 2.99Å | ||
| 88 | L | 32.7 | Very low | 47 | Very low | 146 Ų | 146 | 94.9 Ų | 94.9 | 76% | 0.764 | 52% | 0.521 | S | S | * | . | trans | -42.8 | 138.6 | 153.1 | -75.5 | 158 | 0 | 0 | 0 | 107.5 | C90 | L88-C90 PolarHBondContact O-N 2.89Å; L88-C90 VanDerWaalsContact O-N 3.11Å | ||
| 89 | P | 37.4 | Very low | 45.4 | Very low | 106 Ų | 106 | 96.1 Ų | 96.1 | 69% | 0.688 | 53% | 0.531 | S | S | * | . | trans | -49.8 | 128.9 | 163.5 | 24.3 | -31.2 | 0 | 0 | 0 | 105.6 | ||||
| 90 | C | 29.8 | Very low | 43.9 | Very low | 93 Ų | 93 | 96.2 Ų | 96.2 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | trans | -40.7 | 132.4 | -179.5 | -67 | 0 | 0 | 0 | 0 | 109 | L88 D92 | L88-C90 PolarHBondContact O-N 2.89Å; L88-C90 VanDerWaalsContact O-N 3.11Å; C90-D92 CarbonylContact O-C 3.37Å; C90-D92 PolarHBondContact O-N 2.84Å | ||
| 91 | P | 32.3 | Very low | 42.6 | Very low | 128 Ų | 128 | 98 Ų | 98 | 83% | 0.831 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -54.3 | -25.6 | -178.5 | -19.3 | 26.2 | 0 | 0 | 0 | 112 | G93 | P91-G93 PolarHBondContact O-N 3.07Š|
| 92 | D | 35.4 | Very low | 41.8 | Very low | 131 Ų | 131 | 101.2 Ų | 101.2 | 70% | 0.701 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -82.8 | 103.8 | 171.2 | -51.7 | -33.9 | 0 | 0 | 0 | 107.8 | C90 N94 | C90-D92 CarbonylContact O-C 3.37Å; C90-D92 PolarHBondContact O-N 2.84Å; D92-N94 PolarHBondContact O-N 3.42Å |
| 93 | G | 31.2 | Very low | 41.4 | Very low | 82 Ų | 82 | 100 Ų | 100 | 85% | 0.845 | 55% | 0.552 | S | S | * | * | trans | -60.5 | 37 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | P91 | P91-G93 PolarHBondContact O-N 3.07Š| ||
| 94 | N | 32.6 | Very low | 41.8 | Very low | 106 Ų | 106 | 97.9 Ų | 97.9 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | trans | -104.8 | 77.5 | 178.7 | -133 | -1.2 | 0 | 0 | 0 | 109 | D92 S96 H97 | D92-N94 PolarHBondContact O-N 3.42Å; N94-S96 VanDerWaalsContact CG-OG 3.3Å; N94-S96 PolarHBondContact O-N 3.44Å; N94-S96 PolarHBondContact OD1-OG 3.5Å; N94-H97 PolarHBondContact O-N 2.81Å | ||
| 95 | L | 37.9 | Very low | 43.2 | Very low | 138 Ų | 138 | 96 Ų | 96 | 72% | 0.723 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -58 | -8.6 | 170.4 | -77.3 | 161.5 | 0 | 0 | 0 | 113.3 | L98 | L95-L98 HydrophobicContact CD2-CD1 4.14Š|
| 96 | S | 36.1 | Very low | 45.2 | Very low | 85 Ų | 85 | 86 Ų | 86 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -78.4 | -14 | -177.7 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | N94 | N94-S96 VanDerWaalsContact CG-OG 3.3Å; N94-S96 PolarHBondContact O-N 3.44Å; N94-S96 PolarHBondContact OD1-OG 3.5Å |
| 97 | H | 34.4 | Very low | 47.5 | Very low | 164 Ų | 164 | 78.4 Ų | 78.4 | 76% | 0.759 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -117.6 | 44.8 | 177.2 | -80.3 | -78.6 | 0 | 0 | 0 | 112.3 | N94 S99 | N94-H97 PolarHBondContact O-N 2.81Å; H97-S99 PolarHBondContact O-N 2.82Å |
| 98 | L | 43.3 | Very low | 50.1 | Low | 80 Ų | 80 | 73.3 Ų | 73.3 | 42% | 0.419 | 43% | 0.433 | S | S | . | . | trans | -69.5 | 100.2 | 168 | -82.1 | 159.2 | 0 | 0 | 0 | 108.8 | L95 F100 | L95-L98 HydrophobicContact CD2-CD1 4.14Å; L98-F100 PolarHBondContact O-N 3.42Å; L98-F100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | S | 41.7 | Very low | 52.9 | Low | 43 Ų | 43 | 66.4 Ų | 66.4 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | trans | -58.7 | 113.8 | 173 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | H97 S101 N102 | H97-S99 PolarHBondContact O-N 2.82Å; S99-S101 WeakPolarHBondContact CB-OG 3.39Å; S99-S101 PolarHBondContact O-N 3.03Å; S99-S101 WeakPolarHBondContact OG-CB 3.34Å; S99-S101 PolarHBondContact OG-N 3.02Å; S99-S101 PolarHBondContact OG-OG 3.15Å; S99-N102 PolarHBondContact O-N 2.96Å; S99-N102 VanDerWaalsContact O-N 3.13Å | ||
| 100 | F | 44.2 | Very low | 55.6 | Low | 47 Ų | 47 | 61.3 Ų | 61.3 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -51.7 | -15.6 | 170.5 | -69.3 | -86.3 | 0 | 0 | 0 | 113.4 | L98 N102 L103 E202 D249 | L98-F100 PolarHBondContact O-N 3.42Å; L98-F100 VanDerWaalsContact O-N 3.1Å; F100-N102 PolarHBondContact O-N 2.78Å; F100-L103 HydrophobicContact CD1-CD1 3.95Å; F100-L103 HydrophobicContact CD1-CG 4.33Å; F100-L103 PolarHBondContact O-N 2.9Å; F100-E202 WeakPolarHBondContact CE1-OE2 3.42Å; F100-D249 HydrophobicContact CB-CB 4.5Å; F100-D249 WeakPolarHBondContact CB-OD2 3.35Å; F100-D249 WeakPolarHBondContact CD2-OD2 3.22Å; F100-D249 WeakPolarHBondContact CG-OD2 3.3Å |
| 101 | S | 46.3 | Very low | 58.6 | Low | 50 Ų | 50 | 56.9 Ų | 56.9 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -50.2 | -22.4 | 171.4 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | S99 | S99-S101 WeakPolarHBondContact CB-OG 3.39Å; S99-S101 PolarHBondContact O-N 3.03Å; S99-S101 WeakPolarHBondContact OG-CB 3.34Å; S99-S101 PolarHBondContact OG-N 3.02Å; S99-S101 PolarHBondContact OG-OG 3.15Å |
| 102 | N | 56.8 | Low | 61.4 | Low | 69 Ų | 69 | 52.3 Ų | 52.3 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -115.8 | 15.8 | -170.9 | -63.7 | 1.6 | 0 | 0 | 0 | 114.1 | R87 S99 F100 E104 | R87-N102 PolarHBondContact NH1-O 3.29Å; S99-N102 PolarHBondContact O-N 2.96Å; S99-N102 VanDerWaalsContact O-N 3.13Å; F100-N102 PolarHBondContact O-N 2.78Å; N102-E104 VanDerWaalsContact C-N 3.35Å; N102-E104 WeakPolarHBondContact O-CG 3.49Å; N102-E104 PolarHBondContact O-N 3.47Å |
| 103 | L | 60.8 | Low | 64.1 | Low | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | trans | -61.7 | 99.1 | 169.8 | -64.2 | 178.4 | 0 | 0 | 0 | 108.8 | F100 D167 V199 L242 R246 | F100-L103 HydrophobicContact CD1-CD1 3.95Å; F100-L103 HydrophobicContact CD1-CG 4.33Å; F100-L103 PolarHBondContact O-N 2.9Å; L103-D167 HydrophobicContact CB-CB 4.21Å; L103-D167 HydrophobicContact CD2-CB 3.69Å; L103-V199 HydrophobicContact CD1-CG1 3.44Å; L103-V199 VanDerWaalsContact CD1-CG1 3.44Å; L103-V199 HydrophobicContact CD2-CG1 4.17Å; L103-V199 HydrophobicContact CG-CG1 4.45Å; L103-L242 HydrophobicContact CD1-CD2 4.03Å; L103-R246 PolarHBondContact O-NH2 2.86Å | ||
| 104 | E | 70.3 | Confident | 67 | Low | 59 Ų | 59 | 43.5 Ų | 43.5 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | trans | -129.8 | -25.8 | -173.8 | -70.6 | 173 | 155.1 | 0 | 0 | 110.6 | T79 H84 R87 N102 T106 D167 | T79-E104 HydrophobicContact CG2-CB 4.1Å; T79-E104 PolarHBondContact N-O 3.48Å; T79-E104 VanDerWaalsContact O-O 3.11Å; T79-E104 WeakPolarHBondContact OG1-CB 3.4Å; T79-E104 PolarHBondContact OG1-O 2.93Å; H84-E104 IonicContact CE1-OE2 3.81Å; R87-E104 IonicContact CZ-OE2 2.77Å; R87-E104 VanDerWaalsContact CZ-OE2 3.25Å; R87-E104 IonicContact NH1-OE2 3.92Å; R87-E104 PolarHBondContact NH1-OE2 3.2Å; R87-E104 IonicContact NH2-OE1 2.95Å; R87-E104 IonicContact NH2-OE2 2.97Å; R87-E104 PolarHBondContact NH2-OE2 2.99Å; N102-E104 VanDerWaalsContact C-N 3.35Å; N102-E104 WeakPolarHBondContact O-CG 3.49Å; N102-E104 PolarHBondContact O-N 3.47Å; E104-T106 PolarHBondContact O-N 3.38Å; E104-D167 PolarHBondContact N-OD2 2.91Å | ||
| 105 | S | 82 | Confident | 69.8 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -84.8 | 109.4 | -174.5 | -170.3 | 0 | 0 | 0 | 0 | 112.4 | T79 C81 L165 D167 I168 | T79-S105 CarbonylContact O-C 3.57Å; T79-S105 VanDerWaalsContact O-CA 3.24Å; T79-S105 WeakPolarHBondContact O-CA 3.37Å; C81-S105 WeakPolarHBondContact CA-OG 3.14Å; C81-S105 WeakPolarHBondContact CB-OG 3.26Å; C81-S105 PolarHBondContact N-OG 2.93Å; S105-L165 VanDerWaalsContact CB-O 3.26Å; S105-L165 WeakPolarHBondContact CB-O 3.46Å; S105-L165 PolarHBondContact OG-O 2.93Å; S105-D167 PolarHBondContact N-OD2 3.36Å; S105-D167 WeakPolarHBondContact O-CA 3.3Å; S105-D167 WeakPolarHBondContact O-CB 3.36Å; S105-D167 PolarHBondContact O-N 3.16Å; S105-I168 PolarHBondContact O-N 3.22Å |
| 106 | T | 85.3 | Confident | 72.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.6 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | F71 M78 T79 E104 I168 L170 | F71-T106 HydrophobicContact CD1-CG2 4.33Å; F71-T106 HydrophobicContact CE1-CG2 3.61Å; M78-T106 PolarHBondContact SD-OG1 2.82Å; T79-T106 PolarHBondContact O-N 2.78Å; E104-T106 PolarHBondContact O-N 3.38Å; T106-I168 CarbonylContact C-O 3.51Å; T106-I168 WeakPolarHBondContact CA-O 3.44Å; T106-I168 HydrophobicContact CG2-CB 4.05Å; T106-I168 HydrophobicContact CG2-CG2 3.87Å; T106-I168 WeakPolarHBondContact OG1-CD1 3.33Å; T106-L170 HydrophobicContact CG2-CD1 3.86Å; T106-L170 HydrophobicContact CG2-CG 4.19Å |
| 107 | H | 88.9 | Confident | 73.9 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.3 | 173.7 | -160.3 | 60.5 | 0 | 0 | 0 | 110.6 | A50 F51 V109 V166 I168 L169 L170 | A50-H107 PolarHBondContact O-ND1 3.41Å; F51-H107 PolarHBondContact O-ND1 3.41Å; H107-V109 WeakPolarHBondContact CD2-CG2 3.35Å; H107-V166 HydrophobicContact CB-CG1 3.69Å; H107-V166 HydrophobicContact CB-CG2 4.24Å; H107-I168 PolarHBondContact N-O 3.02Å; H107-L169 WeakPolarHBondContact O-CA 3.32Å; H107-L170 PolarHBondContact O-N 2.95Å |
| 108 | L | 92.4 | Very high | 75.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.7 | 172.3 | 173.7 | 65.4 | 0 | 0 | 0 | 109.1 | F51 I52 C53 V67 F71 M110 L170 M172 V231 | F51-L108 PolarHBondContact O-N 3.13Å; I52-L108 CarbonylContact C-O 3.52Å; I52-L108 WeakPolarHBondContact CA-O 3.44Å; I52-L108 HydrophobicContact CG1-CD2 4.47Å; I52-L108 HydrophobicContact CG2-CD2 4.39Å; C53-L108 PolarHBondContact N-O 2.68Å; V67-L108 HydrophobicContact CG1-CD2 3.6Å; F71-L108 HydrophobicContact CE2-CB 4.09Å; F71-L108 HydrophobicContact CE2-CD2 4.14Å; F71-L108 HydrophobicContact CZ-CB 3.79Å; F71-L108 HydrophobicContact CZ-CD2 4.39Å; L108-M110 HydrophobicContact CD1-CG 4.35Å; L108-M110 HydrophobicContact CD2-CE 4.27Å; L108-M110 HydrophobicContact CD2-SD 4.12Å; L108-M110 HydrophobicContact CG-CG 4.33Å; L108-M110 HydrophobicContact CG-SD 4.46Å; L108-L170 CarbonylContact C-O 3.57Å; L108-L170 VanDerWaalsContact CA-O 3.3Å; L108-L170 WeakPolarHBondContact CA-O 3.45Å; L108-L170 HydrophobicContact CB-CB 4.46Å; L108-L170 HydrophobicContact CD1-CB 3.78Å; L108-M172 HydrophobicContact CD1-CG 4.27Å; L108-M172 HydrophobicContact CD1-SD 4.24Å; L108-V231 HydrophobicContact CD1-CG2 4.22Å; L108-V231 HydrophobicContact CD2-CG1 4.38Å; L108-V231 HydrophobicContact CD2-CG2 3.69Å |
| 109 | V | 92.5 | Very high | 76.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.4 | 170.7 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | F33 C53 H107 V111 W156 L169 L170 M171 M172 | F33-V109 HydrophobicContact CE1-CB 4.17Å; F33-V109 HydrophobicContact CE1-CG1 3.54Å; F33-V109 HydrophobicContact CE1-CG2 4.39Å; F33-V109 HydrophobicContact CZ-CB 4.33Å; F33-V109 HydrophobicContact CZ-CG1 3.72Å; C53-V109 HydrophobicContact CB-CB 4.27Å; C53-V109 HydrophobicContact CB-CG1 3.91Å; C53-V109 HydrophobicContact CB-CG2 3.84Å; C53-V109 WeakPolarHBondContact O-CA 3.49Å; H107-V109 WeakPolarHBondContact CD2-CG2 3.35Å; V109-V111 HydrophobicContact CG1-CG1 4.07Å; V109-W156 HydrophobicContact CG2-CH2 3.92Å; V109-L169 HydrophobicContact CB-CD1 4.5Å; V109-L169 HydrophobicContact CG2-CD1 3.93Å; V109-L170 PolarHBondContact N-O 2.87Å; V109-M171 CarbonylContact O-C 3.52Å; V109-M171 WeakPolarHBondContact O-CA 3.32Å; V109-M172 PolarHBondContact O-N 3.3Å |
| 110 | M | 92.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.2 | 179.3 | -65.6 | 163.6 | -61 | 0 | 0 | 109.3 | I52 C53 D54 P55 W58 L59 L108 M172 V227 | I52-M110 HydrophobicContact CG2-CE 3.38Å; C53-M110 PolarHBondContact O-N 2.8Å; D54-M110 HydrophobicContact CB-CE 3.66Å; P55-M110 WeakPolarHBondContact CD-O 3.42Å; W58-M110 HydrophobicContact CD2-CB 3.91Å; W58-M110 HydrophobicContact CE3-CB 3.74Å; W58-M110 HydrophobicContact CE3-CG 4.06Å; W58-M110 HydrophobicContact CE3-SD 4.35Å; W58-M110 HydrophobicContact CG-CB 4.37Å; W58-M110 HydrophobicContact CZ3-CB 4.06Å; W58-M110 HydrophobicContact CZ3-CG 4.27Å; L59-M110 HydrophobicContact CD1-CE 3.6Å; L59-M110 HydrophobicContact CD1-SD 3.97Å; L59-M110 HydrophobicContact CD2-SD 4.27Å; L59-M110 HydrophobicContact CG-CE 3.92Å; L59-M110 HydrophobicContact CG-SD 4.07Å; L108-M110 HydrophobicContact CD1-CG 4.35Å; L108-M110 HydrophobicContact CD2-CE 4.27Å; L108-M110 HydrophobicContact CD2-SD 4.12Å; L108-M110 HydrophobicContact CG-CG 4.33Å; L108-M110 HydrophobicContact CG-SD 4.46Å; M110-M172 WeakPolarHBondContact CA-O 3.39Å; M110-M172 HydrophobicContact CG-CB 4.03Å; M110-M172 HydrophobicContact CG-SD 4.41Å; M110-V227 HydrophobicContact SD-CG1 3.66Å |
| 111 | V | 92.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 141.9 | -178.9 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | Y28 F33 P55 D56 W58 V109 K113 V114 M172 V173 K174 | Y28-V111 HydrophobicContact CD2-CB 3.79Å; Y28-V111 HydrophobicContact CD2-CG1 3.58Å; Y28-V111 HydrophobicContact CD2-CG2 4.47Å; Y28-V111 HydrophobicContact CE2-CB 4.02Å; Y28-V111 HydrophobicContact CE2-CG1 3.64Å; Y28-V111 HydrophobicContact CG-CG1 4.47Å; F33-V111 HydrophobicContact CE2-CG1 4.26Å; F33-V111 HydrophobicContact CE2-CG2 4.01Å; F33-V111 HydrophobicContact CZ-CG1 4Å; F33-V111 HydrophobicContact CZ-CG2 4.16Å; P55-V111 HydrophobicContact CG-CG1 3.81Å; D56-V111 VanDerWaalsContact OD2-CA 3.28Å; D56-V111 WeakPolarHBondContact OD2-CA 3.32Å; W58-V111 WeakPolarHBondContact CZ2-O 3.49Å; V109-V111 HydrophobicContact CG1-CG1 4.07Å; V111-K113 VanDerWaalsContact C-N 3.28Å; V111-K113 PolarHBondContact O-N 2.96Å; V111-V114 HydrophobicContact CG2-CG2 3.75Å; V111-M172 PolarHBondContact N-O 2.98Å; V111-V173 HydrophobicContact CG2-CG1 4.38Å; V111-V173 HydrophobicContact CG2-CG2 3.94Å; V111-V173 WeakPolarHBondContact O-CA 3.07Å; V111-K174 PolarHBondContact O-N 3.14Å |
| 112 | N | 91.9 | Very high | 80.8 | Confident | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.171 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | -41.9 | 176.5 | -78.5 | -27.2 | 0 | 0 | 0 | 111.2 | D56 W58 K174 E175 | D56-N112 HydrophobicContact CB-CB 4.4Å; D56-N112 WeakPolarHBondContact CB-ND2 3.43Å; D56-N112 VanDerWaalsContact CG-ND2 3.26Å; D56-N112 PolarHBondContact OD1-ND2 3.42Å; D56-N112 PolarHBondContact OD2-N 2.94Å; W58-N112 PolarHBondContact NE1-OD1 2.9Å; N112-K174 CarbonylContact O-C 3.6Å; N112-K174 WeakPolarHBondContact O-CB 3.47Å; N112-K174 PolarHBondContact OD1-NZ 3.33Å; N112-E175 WeakPolarHBondContact O-CB 3.46Å; N112-E175 PolarHBondContact O-N 3.28Å |
| 113 | K | 92.1 | Very high | 81.3 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 132.1 | -169.3 | -173.2 | 178.2 | 176.8 | 173.5 | 0 | 113.4 | D25 G27 Y28 V111 E175 V177 | D25-K113 PolarHBondContact O-NZ 2.97Å; G27-K113 WeakPolarHBondContact CA-O 3.43Å; Y28-K113 PolarHBondContact N-O 3.19Å; V111-K113 VanDerWaalsContact C-N 3.28Å; V111-K113 PolarHBondContact O-N 2.96Å; K113-E175 CarbonylContact C-O 3.58Å; K113-E175 VanDerWaalsContact CA-O 3.26Å; K113-E175 WeakPolarHBondContact CA-O 3.06Å; K113-E175 HydrophobicContact CB-CB 4.23Å; K113-E175 WeakPolarHBondContact CD-OE1 3.41Å; K113-E175 WeakPolarHBondContact CE-OE1 3.45Å; K113-E175 HydrophobicContact CG-CB 4.11Å; K113-E175 HydrophobicContact CG-CG 4.12Å; K113-E175 IonicContact NZ-OE1 3.84Å; K113-E175 PolarHBondContact NZ-OE1 3.19Å; K113-V177 HydrophobicContact CG-CG2 4.46Å |
| 114 | V | 92.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.3 | 167.1 | 172.9 | 0 | 0 | 0 | 0 | 109.6 | Y28 F33 V111 L116 L145 F148 M171 V173 E175 V177 | Y28-V114 CarbonylContact O-C 3.58Å; Y28-V114 WeakPolarHBondContact O-CA 3.34Å; F33-V114 HydrophobicContact CE2-CG2 4.07Å; V111-V114 HydrophobicContact CG2-CG2 3.75Å; V114-L116 HydrophobicContact CG1-CD2 3.7Å; V114-L116 HydrophobicContact CG1-CG 4.35Å; V114-L145 HydrophobicContact CB-CD1 4.19Å; V114-L145 HydrophobicContact CG1-CD1 4.08Å; V114-L145 HydrophobicContact CG2-CD1 4.29Å; V114-F148 HydrophobicContact CG1-CD1 3.9Å; V114-F148 HydrophobicContact CG1-CD2 4.07Å; V114-F148 HydrophobicContact CG1-CE1 3.72Å; V114-F148 HydrophobicContact CG1-CE2 3.87Å; V114-F148 HydrophobicContact CG1-CG 4.08Å; V114-F148 HydrophobicContact CG1-CZ 3.72Å; V114-F148 HydrophobicContact CG2-CE1 4.24Å; V114-M171 HydrophobicContact CG2-SD 4.5Å; V114-V173 HydrophobicContact CB-CG1 4.11Å; V114-V173 HydrophobicContact CG2-CG1 3.84Å; V114-V173 HydrophobicContact CG2-CG2 3.82Å; V114-E175 PolarHBondContact N-O 2.72Å; V114-V177 PolarHBondContact O-N 3.1Å |
| 115 | T | 90.4 | Very high | 80.5 | Confident | 34 Ų | 34 | 47.5 Ų | 47.5 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 110.1 | 172.7 | -53.7 | 0 | 0 | 0 | 0 | 108.5 | Y28 D29 A119 | Y28-T115 PolarHBondContact O-N 3.44Å; D29-T115 WeakPolarHBondContact CB-O 3.4Å; T115-A119 HydrophobicContact CG2-CB 3.56Å |
| 116 | L | 87.6 | Confident | 79.1 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | trans | -75.7 | 143.1 | -177.7 | -59.6 | 174.9 | 0 | 0 | 0 | 110.5 | V114 N118 A119 N144 F148 V176 V177 L178 | V114-L116 HydrophobicContact CG1-CD2 3.7Å; V114-L116 HydrophobicContact CG1-CG 4.35Å; L116-N118 PolarHBondContact O-N 3.22Å; L116-A119 VanDerWaalsContact O-CB 3.24Å; L116-A119 WeakPolarHBondContact O-CB 3.43Å; L116-A119 PolarHBondContact O-N 2.81Å; L116-N144 HydrophobicContact CD1-CB 3.39Å; L116-F148 HydrophobicContact CD2-CB 3.47Å; L116-F148 VanDerWaalsContact CD2-CB 3.47Å; L116-F148 HydrophobicContact CD2-CD2 3.62Å; L116-F148 HydrophobicContact CD2-CG 3.66Å; L116-V176 HydrophobicContact CD1-CG1 3.62Å; L116-V176 HydrophobicContact CG-CG1 4.11Å; L116-V177 PolarHBondContact N-O 2.88Å; L116-L178 HydrophobicContact CB-CB 4.11Å; L116-L178 HydrophobicContact CD1-CB 3.72Å; L116-L178 HydrophobicContact CD1-CD2 4.37Å; L116-L178 HydrophobicContact CG-CB 4.37Å | ||
| 117 | V | 72.8 | Confident | 77.5 | Confident | 95 Ų | 95 | 56.5 Ų | 56.5 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 125.8 | 168.8 | -177.6 | 0 | 0 | 0 | 0 | 106.7 | L30 | L30-V117 HydrophobicContact CD1-CG2 4.24Š|
| 118 | N | 70.1 | Confident | 75.5 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.5 | -32.2 | -168.1 | -58.1 | -22.7 | 0 | 0 | 0 | 112.9 | L116 S120 R121 C179 | L116-N118 PolarHBondContact O-N 3.22Å; N118-S120 PolarHBondContact O-N 3Å; N118-S120 VanDerWaalsContact O-N 3.15Å; N118-R121 WeakPolarHBondContact O-CB 3.45Å; N118-R121 PolarHBondContact O-N 2.71Å; N118-C179 HydrophobicContact CB-CB 3.94Å; N118-C179 WeakPolarHBondContact O-CB 3.31Å |
| 119 | A | 69.9 | Low | 73.2 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -58.7 | -30.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | T115 L116 R121 V177 | T115-A119 HydrophobicContact CG2-CB 3.56Å; L116-A119 VanDerWaalsContact O-CB 3.24Å; L116-A119 WeakPolarHBondContact O-CB 3.43Å; L116-A119 PolarHBondContact O-N 2.81Å; A119-R121 VanDerWaalsContact C-N 3.25Å; A119-R121 PolarHBondContact O-N 3.18Å; A119-V177 HydrophobicContact CB-CG1 4.02Å |
| 120 | S | 70.6 | Confident | 70.9 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 80% | 0.797 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -71.2 | -17.2 | 176.5 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | N118 | N118-S120 PolarHBondContact O-N 3Å; N118-S120 VanDerWaalsContact O-N 3.15Å |
| 121 | R | 69.9 | Low | 68.6 | Low | 200 Ų | 200 | 83.9 Ų | 83.9 | 76% | 0.755 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -89.5 | -3.4 | -178.6 | -59.4 | -177.4 | 176.5 | -176.2 | -1.4 | 113.5 | N118 A119 | N118-R121 WeakPolarHBondContact O-CB 3.45Å; N118-R121 PolarHBondContact O-N 2.71Å; A119-R121 VanDerWaalsContact C-N 3.25Å; A119-R121 PolarHBondContact O-N 3.18Å |
| 122 | C | 73.7 | Confident | 66.4 | Low | 16 Ų | 16 | 92.5 Ų | 92.5 | 11% | 0.108 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -94.2 | 144.7 | -175.3 | -100.9 | 0 | 0 | 0 | 0 | 112.4 | C179 G182 N183 R184 | C122-C179 VanDerWaalsContact CA-SG 3.6Å; C122-C179 HydrophobicContact CB-CB 3.74Å; C122-C179 WeakPolarHBondContact CB-SG 3.25Å; C122-C179 WeakPolarHBondContact SG-CA 3.36Å; C122-C179 WeakPolarHBondContact SG-CB 3.29Å; C122-C179 CovalentContact SG-SG 2Å; C122-C179 PolarHBondContact SG-SG 2.87Å; C122-G182 PolarHBondContact SG-O 2.8Å; C122-N183 PolarHBondContact SG-N 3.27Å; C122-N183 VanDerWaalsContact SG-N 3.44Å; C122-N183 PolarHBondContact SG-O 2.77Å; C122-R184 HydrophobicContact CB-CB 4.09Å; C122-R184 PolarHBondContact SG-N 3.41Å; C122-R184 VanDerWaalsContact SG-N 3.4Å |
| 123 | E | 66.7 | Low | 64.5 | Low | 145 Ų | 145 | 95.8 Ų | 95.8 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | B | Isolated β-bridge | trans | -66.7 | 139.4 | 165.7 | -69.6 | -174.5 | 173.2 | 0 | 0 | 109.6 | V125 | E123-V125 HydrophobicContact CB-CG2 4.02Å; E123-V125 PolarHBondContact O-N 3.32Å |
| 124 | K | 61 | Low | 63.2 | Low | 171 Ų | 171 | 97 Ų | 97 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | trans | -76.6 | 63.2 | 172.8 | -67.4 | -177.3 | -178.3 | -180 | 0 | 109.3 | ||||
| 125 | V | 54.2 | Low | 62 | Low | 85 Ų | 85 | 103.4 Ų | 103.4 | 52% | 0.515 | 54% | 0.542 | S | S | . | . | trans | -78.6 | 133.2 | 169 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | E123 T127 | E123-V125 HydrophobicContact CB-CG2 4.02Å; E123-V125 PolarHBondContact O-N 3.32Å; V125-T127 PolarHBondContact O-N 3.43Å | ||
| 126 | A | 53.1 | Low | 61.2 | Low | 86 Ų | 86 | 106.8 Ų | 106.8 | 71% | 0.711 | 56% | 0.555 | S | S | * | * | trans | -53.9 | 123.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q128 | A126-Q128 PolarHBondContact O-N 3.01Š| ||
| 127 | T | 51.4 | Low | 60.6 | Low | 103 Ų | 103 | 107.6 Ų | 107.6 | 63% | 0.632 | 56% | 0.561 | S | S | * | * | trans | -47.9 | 105.6 | 175.2 | 33.7 | 0 | 0 | 0 | 0 | 110 | V125 S129 | V125-T127 PolarHBondContact O-N 3.43Å; T127-S129 PolarHBondContact O-N 2.93Å | ||
| 128 | Q | 46 | Very low | 61.1 | Low | 147 Ų | 147 | 107.2 Ų | 107.2 | 69% | 0.687 | 55% | 0.553 | S | S | * | * | trans | -67.8 | 125.7 | 166.7 | -76.6 | -177.6 | -10.7 | 0 | 0 | 108.1 | A126 Y130 | A126-Q128 PolarHBondContact O-N 3.01Å; Q128-Y130 HydrophobicContact CB-CD2 3.95Å; Q128-Y130 HydrophobicContact CB-CE2 4.15Å; Q128-Y130 PolarHBondContact O-N 2.92Å | ||
| 129 | S | 44.1 | Very low | 61.7 | Low | 121 Ų | 121 | 109.5 Ų | 109.5 | 85% | 0.846 | 56% | 0.561 | S | S | * | * | trans | -65.4 | 100.1 | 174.6 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | T127 | T127-S129 PolarHBondContact O-N 2.93Š| ||
| 130 | Y | 44.7 | Very low | 62.4 | Low | 126 Ų | 126 | 111 Ų | 111 | 49% | 0.494 | 57% | 0.569 | S | S | . | * | trans | -119.7 | 103 | 171.9 | -94.3 | -92.2 | 0 | 0 | 0 | 108 | Q128 E132 K133 S134 | Q128-Y130 HydrophobicContact CB-CD2 3.95Å; Q128-Y130 HydrophobicContact CB-CE2 4.15Å; Q128-Y130 PolarHBondContact O-N 2.92Å; Y130-E132 VanDerWaalsContact C-N 3.28Å; Y130-E132 PolarHBondContact O-N 3.17Å; Y130-K133 HydrophobicContact CD1-CD 4.39Å; Y130-K133 HydrophobicContact CD1-CG 4.39Å; Y130-K133 HydrophobicContact CD2-CD 4.41Å; Y130-K133 HydrophobicContact CG-CD 3.94Å; Y130-K133 HydrophobicContact CG-CG 4.2Å; Y130-K133 PolarHBondContact O-N 3.37Å; Y130-S134 PolarHBondContact O-N 3.01Å | ||
| 131 | E | 45.7 | Very low | 63.1 | Low | 183 Ų | 183 | 105.6 Ų | 105.6 | 86% | 0.855 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -61.4 | -36.2 | 176.4 | -73.5 | -177.7 | 155.1 | 0 | 0 | 112 | K133 S134 | E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 2.81Å; E131-S134 WeakPolarHBondContact O-CB 3.45Å; E131-S134 PolarHBondContact O-N 2.82Å |
| 132 | E | 46.5 | Very low | 64 | Low | 181 Ų | 181 | 96.9 Ų | 96.9 | 85% | 0.846 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.3 | -29.1 | 178.5 | -152.7 | 170.8 | -154.6 | 0 | 0 | 112.1 | Y130 S134 | Y130-E132 VanDerWaalsContact C-N 3.28Å; Y130-E132 PolarHBondContact O-N 3.17Å; E132-S134 PolarHBondContact O-N 3.42Å |
| 133 | K | 51.6 | Low | 64.6 | Low | 101 Ų | 101 | 99.6 Ų | 99.6 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.1 | -10.9 | 168.3 | -67.5 | -177.2 | -179.4 | 170.6 | 0 | 112.3 | Y130 E131 L135 E136 V137 | Y130-K133 HydrophobicContact CD1-CD 4.39Å; Y130-K133 HydrophobicContact CD1-CG 4.39Å; Y130-K133 HydrophobicContact CD2-CD 4.41Å; Y130-K133 HydrophobicContact CG-CD 3.94Å; Y130-K133 HydrophobicContact CG-CG 4.2Å; Y130-K133 PolarHBondContact O-N 3.37Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 2.81Å; K133-L135 PolarHBondContact O-N 3.2Å; K133-E136 PolarHBondContact O-N 3.34Å; K133-V137 HydrophobicContact CB-CG2 4.3Å; K133-V137 VanDerWaalsContact O-CB 3.22Å; K133-V137 WeakPolarHBondContact O-CB 3.36Å; K133-V137 WeakPolarHBondContact O-CG2 3.34Å; K133-V137 PolarHBondContact O-N 3.4Å |
| 134 | S | 64.7 | Low | 65.7 | Low | 53 Ų | 53 | 94.6 Ų | 94.6 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | -174.9 | -165.1 | 0 | 0 | 0 | 0 | 111.9 | Y130 E131 E132 V137 E138 | Y130-S134 PolarHBondContact O-N 3.01Å; E131-S134 WeakPolarHBondContact O-CB 3.45Å; E131-S134 PolarHBondContact O-N 2.82Å; E132-S134 PolarHBondContact O-N 3.42Å; S134-V137 PolarHBondContact O-N 3.34Å; S134-E138 WeakPolarHBondContact O-CB 3.36Å; S134-E138 WeakPolarHBondContact O-CG 3.47Å; S134-E138 PolarHBondContact O-N 3.28Å |
| 135 | L | 67.4 | Low | 67.2 | Low | 134 Ų | 134 | 86.5 Ų | 86.5 | 70% | 0.702 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.7 | -43.7 | 179.3 | -72 | 174.4 | 0 | 0 | 0 | 112 | K133 V137 E138 E139 | K133-L135 PolarHBondContact O-N 3.2Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-E138 PolarHBondContact O-N 3.39Å; L135-E139 PolarHBondContact O-N 2.87Å |
| 136 | E | 73.5 | Confident | 68.9 | Low | 105 Ų | 105 | 83.7 Ų | 83.7 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.5 | -171 | -179.5 | -173.4 | 0 | 0 | 110.9 | K133 E139 I140 | K133-E136 PolarHBondContact O-N 3.34Å; E136-E139 PolarHBondContact O-N 2.98Å; E136-I140 HydrophobicContact CG-CD1 3.81Å; E136-I140 HydrophobicContact CG-CG1 4.46Å; E136-I140 WeakPolarHBondContact O-CB 3.15Å; E136-I140 WeakPolarHBondContact O-CG1 3.28Å; E136-I140 PolarHBondContact O-N 3.14Å |
| 137 | V | 75.7 | Confident | 70.7 | Confident | 26 Ų | 26 | 86.8 Ų | 86.8 | 16% | 0.158 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | K133 S134 L135 A141 L185 | K133-V137 HydrophobicContact CB-CG2 4.3Å; K133-V137 VanDerWaalsContact O-CB 3.22Å; K133-V137 WeakPolarHBondContact O-CB 3.36Å; K133-V137 WeakPolarHBondContact O-CG2 3.34Å; K133-V137 PolarHBondContact O-N 3.4Å; S134-V137 PolarHBondContact O-N 3.34Å; L135-V137 VanDerWaalsContact C-N 3.35Å; V137-A141 WeakPolarHBondContact O-CB 3.35Å; V137-A141 PolarHBondContact O-N 2.81Å; V137-L185 HydrophobicContact CG1-CB 4.3Å; V137-L185 HydrophobicContact CG1-CD1 4.5Å; V137-L185 HydrophobicContact CG2-CD1 4.14Å; V137-L185 HydrophobicContact CG2-CD2 4.06Å |
| 138 | E | 81.7 | Confident | 72.7 | Confident | 87 Ų | 87 | 82.2 Ų | 82.2 | 41% | 0.407 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 175.5 | -82.6 | 178 | -161 | 0 | 0 | 111.6 | S134 L135 A141 Y142 L187 | S134-E138 WeakPolarHBondContact O-CB 3.36Å; S134-E138 WeakPolarHBondContact O-CG 3.47Å; S134-E138 PolarHBondContact O-N 3.28Å; L135-E138 PolarHBondContact O-N 3.39Å; E138-A141 PolarHBondContact O-N 2.93Å; E138-Y142 WeakPolarHBondContact O-CB 3.49Å; E138-Y142 PolarHBondContact O-N 3.07Å; E138-L187 HydrophobicContact CG-CD1 3.59Å; E138-L187 HydrophobicContact CG-CD2 4.44Å |
| 139 | E | 83.6 | Confident | 74.9 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -49.4 | 178.8 | -176.1 | 167.6 | -158.3 | 0 | 0 | 111.4 | L135 E136 A141 Y142 E143 | L135-E139 PolarHBondContact O-N 2.87Å; E136-E139 PolarHBondContact O-N 2.98Å; E139-A141 PolarHBondContact O-N 3.07Å; E139-Y142 PolarHBondContact O-N 3.32Å; E139-E143 WeakPolarHBondContact O-CG 3.46Å; E139-E143 PolarHBondContact O-N 2.77Å |
| 140 | I | 84.5 | Confident | 77.2 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 18% | 0.179 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 178.1 | -65.7 | 169.3 | 0 | 0 | 0 | 110.6 | E136 E143 N144 L178 | E136-I140 HydrophobicContact CG-CD1 3.81Å; E136-I140 HydrophobicContact CG-CG1 4.46Å; E136-I140 WeakPolarHBondContact O-CB 3.15Å; E136-I140 WeakPolarHBondContact O-CG1 3.28Å; E136-I140 PolarHBondContact O-N 3.14Å; I140-E143 PolarHBondContact O-N 3.39Å; I140-N144 PolarHBondContact O-N 2.99Å; I140-N144 VanDerWaalsContact O-N 3.08Å; I140-N144 PolarHBondContact O-ND2 3.1Å; I140-L178 HydrophobicContact CG2-CD1 3.62Å |
| 141 | A | 85.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V137 E138 E139 N144 L145 V176 L178 L187 | V137-A141 WeakPolarHBondContact O-CB 3.35Å; V137-A141 PolarHBondContact O-N 2.81Å; E138-A141 PolarHBondContact O-N 2.93Å; E139-A141 PolarHBondContact O-N 3.07Å; A141-N144 PolarHBondContact O-N 2.87Å; A141-L145 VanDerWaalsContact O-CB 3.29Å; A141-L145 WeakPolarHBondContact O-CB 3.31Å; A141-L145 PolarHBondContact O-N 3.24Å; A141-V176 HydrophobicContact CB-CG1 4.33Å; A141-L178 HydrophobicContact CB-CD2 3.77Å; A141-L187 HydrophobicContact CB-CB 3.95Å; A141-L187 HydrophobicContact CB-CD2 3.81Å |
| 142 | Y | 88.2 | Confident | 81.6 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 178.2 | -179.4 | -90.9 | 0 | 0 | 0 | 111.9 | E138 E139 N144 L145 M146 T194 V196 K212 A215 | E138-Y142 WeakPolarHBondContact O-CB 3.49Å; E138-Y142 PolarHBondContact O-N 3.07Å; E139-Y142 PolarHBondContact O-N 3.32Å; Y142-N144 VanDerWaalsContact C-N 3.34Å; Y142-N144 PolarHBondContact O-N 2.83Å; Y142-L145 PolarHBondContact O-N 2.86Å; Y142-M146 HydrophobicContact CD1-CG 4.06Å; Y142-M146 HydrophobicContact CE1-CG 3.53Å; Y142-M146 HydrophobicContact CE1-SD 4.18Å; Y142-M146 HydrophobicContact CE2-CG 4.49Å; Y142-M146 WeakPolarHBondContact O-CG 3.47Å; Y142-M146 PolarHBondContact O-N 2.76Å; Y142-T194 HydrophobicContact CD2-CG2 3.89Å; Y142-T194 HydrophobicContact CE2-CG2 4.35Å; Y142-V196 HydrophobicContact CD2-CG2 4.34Å; Y142-V196 HydrophobicContact CE2-CG2 3.9Å; Y142-K212 HydrophobicContact CE1-CD 4.24Å; Y142-K212 HydrophobicContact CE1-CG 3.95Å; Y142-A215 HydrophobicContact CE2-CB 4.42Å; Y142-A215 WeakPolarHBondContact OH-CB 3.38Å |
| 143 | E | 87.3 | Confident | 83.7 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 178 | -73.4 | -160 | 157.4 | 0 | 0 | 112.6 | E139 I140 L145 M146 R147 K212 | E139-E143 WeakPolarHBondContact O-CG 3.46Å; E139-E143 PolarHBondContact O-N 2.77Å; I140-E143 PolarHBondContact O-N 3.39Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-M146 PolarHBondContact O-N 2.89Å; E143-R147 WeakPolarHBondContact O-CG 3.42Å; E143-R147 PolarHBondContact O-N 3.16Å; E143-R147 VanDerWaalsContact O-N 3.12Å; E143-R147 IonicContact OE2-NH2 3.76Å; E143-K212 IonicContact OE1-NZ 3.11Å |
| 144 | N | 89.7 | Confident | 85.4 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.8 | -33.2 | 177.1 | -74.9 | -80.9 | 0 | 0 | 0 | 112 | L116 I140 A141 Y142 R147 F148 | L116-N144 HydrophobicContact CD1-CB 3.39Å; I140-N144 PolarHBondContact O-N 2.99Å; I140-N144 VanDerWaalsContact O-N 3.08Å; I140-N144 PolarHBondContact O-ND2 3.1Å; A141-N144 PolarHBondContact O-N 2.87Å; Y142-N144 VanDerWaalsContact C-N 3.34Å; Y142-N144 PolarHBondContact O-N 2.83Å; N144-R147 PolarHBondContact O-N 2.84Å; N144-F148 WeakPolarHBondContact O-CB 3.07Å; N144-F148 PolarHBondContact O-N 3.29Å |
| 145 | L | 91.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -39.2 | 174 | -173.3 | 65.5 | 0 | 0 | 0 | 111.8 | V114 A141 Y142 E143 F148 A149 M171 V173 V176 T194 V196 | V114-L145 HydrophobicContact CB-CD1 4.19Å; V114-L145 HydrophobicContact CG1-CD1 4.08Å; V114-L145 HydrophobicContact CG2-CD1 4.29Å; A141-L145 VanDerWaalsContact O-CB 3.29Å; A141-L145 WeakPolarHBondContact O-CB 3.31Å; A141-L145 PolarHBondContact O-N 3.24Å; Y142-L145 PolarHBondContact O-N 2.86Å; E143-L145 VanDerWaalsContact C-N 3.35Å; L145-F148 HydrophobicContact CD1-CD1 4.41Å; L145-F148 WeakPolarHBondContact O-CB 3.28Å; L145-F148 PolarHBondContact O-N 2.8Å; L145-A149 WeakPolarHBondContact O-CB 3.37Å; L145-A149 PolarHBondContact O-N 3.15Å; L145-M171 HydrophobicContact CD1-SD 4.13Å; L145-V173 HydrophobicContact CD1-CG2 4.1Å; L145-V173 HydrophobicContact CD2-CB 4.27Å; L145-V173 HydrophobicContact CD2-CG2 4.09Å; L145-V176 HydrophobicContact CD1-CG2 4.23Å; L145-V176 HydrophobicContact CD2-CG2 3.88Å; L145-V176 HydrophobicContact CG-CG2 4.45Å; L145-T194 HydrophobicContact CD2-CG2 4.05Å; L145-V196 HydrophobicContact CB-CG2 4.36Å; L145-V196 HydrophobicContact CD2-CG2 3.63Å; L145-V196 HydrophobicContact CG-CG2 3.84Å |
| 146 | M | 90.9 | Very high | 87.4 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 172.3 | -76.5 | -70.4 | -63.2 | 0 | 0 | 111.2 | Y142 E143 F148 A149 S150 V196 | Y142-M146 HydrophobicContact CD1-CG 4.06Å; Y142-M146 HydrophobicContact CE1-CG 3.53Å; Y142-M146 HydrophobicContact CE1-SD 4.18Å; Y142-M146 HydrophobicContact CE2-CG 4.49Å; Y142-M146 WeakPolarHBondContact O-CG 3.47Å; Y142-M146 PolarHBondContact O-N 2.76Å; E143-M146 PolarHBondContact O-N 2.89Å; M146-F148 VanDerWaalsContact C-N 3.28Å; M146-F148 PolarHBondContact O-N 3.34Å; M146-A149 PolarHBondContact O-N 3.07Å; M146-S150 PolarHBondContact O-N 3.49Å; M146-S150 PolarHBondContact O-OG 2.03Å; M146-V196 HydrophobicContact CG-CG1 4.44Å; M146-V196 HydrophobicContact CG-CG2 4.22Å; M146-V196 HydrophobicContact SD-CB 4.09Å; M146-V196 HydrophobicContact SD-CG1 3.46Å; M146-V196 WeakPolarHBondContact SD-CG1 3.33Å; M146-V196 HydrophobicContact SD-CG2 3.88Å |
| 147 | R | 90.1 | Very high | 88 | Confident | 151 Ų | 151 | 39.9 Ų | 39.9 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -59.5 | -40.7 | 176.5 | -69.6 | 177.5 | -169.1 | 156.6 | 8 | 111.8 | E143 N144 S151 | E143-R147 WeakPolarHBondContact O-CG 3.42Å; E143-R147 PolarHBondContact O-N 3.16Å; E143-R147 VanDerWaalsContact O-N 3.12Å; E143-R147 IonicContact OE2-NH2 3.76Å; N144-R147 PolarHBondContact O-N 2.84Å; R147-S151 WeakPolarHBondContact O-CB 3.42Å; R147-S151 PolarHBondContact O-N 2.87Å; R147-S151 PolarHBondContact O-OG 2.99Å |
| 148 | F | 93 | Very high | 88.3 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 175.7 | 176.5 | -87.3 | 0 | 0 | 0 | 111.6 | L30 F33 V114 L116 N144 L145 M146 S150 S151 L152 M171 | L30-F148 HydrophobicContact CB-CE2 4.35Å; L30-F148 HydrophobicContact CD2-CD2 3.62Å; L30-F148 HydrophobicContact CD2-CE1 4.48Å; L30-F148 HydrophobicContact CD2-CE2 3.53Å; L30-F148 HydrophobicContact CD2-CG 4.17Å; L30-F148 HydrophobicContact CD2-CZ 3.97Å; L30-F148 HydrophobicContact CG-CD2 3.78Å; L30-F148 HydrophobicContact CG-CE2 3.58Å; L30-F148 HydrophobicContact CG-CZ 4.38Å; F33-F148 AromaticContact CD2-CE1 3.77Å; F33-F148 HydrophobicContact CD2-CE1 3.77Å; F33-F148 AromaticContact CD2-CZ 3.74Å; F33-F148 HydrophobicContact CD2-CZ 3.74Å; F33-F148 AromaticContact CE2-CE1 3.89Å; F33-F148 HydrophobicContact CE2-CE1 3.89Å; F33-F148 HydrophobicContact CE2-CZ 4.29Å; V114-F148 HydrophobicContact CG1-CD1 3.9Å; V114-F148 HydrophobicContact CG1-CD2 4.07Å; V114-F148 HydrophobicContact CG1-CE1 3.72Å; V114-F148 HydrophobicContact CG1-CE2 3.87Å; V114-F148 HydrophobicContact CG1-CG 4.08Å; V114-F148 HydrophobicContact CG1-CZ 3.72Å; V114-F148 HydrophobicContact CG2-CE1 4.24Å; L116-F148 HydrophobicContact CD2-CB 3.47Å; L116-F148 VanDerWaalsContact CD2-CB 3.47Å; L116-F148 HydrophobicContact CD2-CD2 3.62Å; L116-F148 HydrophobicContact CD2-CG 3.66Å; N144-F148 WeakPolarHBondContact O-CB 3.07Å; N144-F148 PolarHBondContact O-N 3.29Å; L145-F148 HydrophobicContact CD1-CD1 4.41Å; L145-F148 WeakPolarHBondContact O-CB 3.28Å; L145-F148 PolarHBondContact O-N 2.8Å; M146-F148 VanDerWaalsContact C-N 3.28Å; M146-F148 PolarHBondContact O-N 3.34Å; F148-S150 PolarHBondContact O-N 2.85Å; F148-S151 WeakPolarHBondContact O-CB 3.48Å; F148-S151 PolarHBondContact O-N 3.09Å; F148-L152 HydrophobicContact CE1-CD2 4.23Å; F148-L152 WeakPolarHBondContact O-CB 3.46Å; F148-L152 PolarHBondContact O-N 3.39Å; F148-M171 HydrophobicContact CD1-CE 4.05Å; F148-M171 HydrophobicContact CD1-SD 4.21Å; F148-M171 HydrophobicContact CE1-CE 3.96Å; F148-M171 HydrophobicContact CE1-SD 4.29Å |
| 149 | A | 93.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L145 M146 L152 L153 L169 M171 V196 T198 | L145-A149 WeakPolarHBondContact O-CB 3.37Å; L145-A149 PolarHBondContact O-N 3.15Å; M146-A149 PolarHBondContact O-N 3.07Å; A149-L152 PolarHBondContact O-N 3.21Å; A149-L153 WeakPolarHBondContact O-CB 3.46Å; A149-L153 PolarHBondContact O-N 3.43Å; A149-L169 HydrophobicContact CB-CD2 4.42Å; A149-M171 HydrophobicContact CB-CE 3.91Å; A149-M171 HydrophobicContact CB-SD 4.38Å; A149-V196 HydrophobicContact CB-CG1 3.47Å; A149-V196 VanDerWaalsContact CB-CG1 3.47Å; A149-T198 HydrophobicContact CB-CG2 3.88Å |
| 150 | S | 91.3 | Very high | 86.8 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 175.4 | -56.2 | 0 | 0 | 0 | 0 | 112 | M146 F148 L153 N154 T198 | M146-S150 PolarHBondContact O-N 3.49Å; M146-S150 PolarHBondContact O-OG 2.03Å; F148-S150 PolarHBondContact O-N 2.85Å; S150-L153 PolarHBondContact O-N 2.94Å; S150-N154 VanDerWaalsContact O-CG 3.28Å; S150-N154 PolarHBondContact O-N 3.16Å; S150-N154 PolarHBondContact O-ND2 3.46Å; S150-T198 PolarHBondContact OG-OG1 3.27Å |
| 151 | S | 91.7 | Very high | 85.8 | Confident | 49 Ų | 49 | 51 Ų | 51 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.9 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | R147 F148 N154 T155 | R147-S151 WeakPolarHBondContact O-CB 3.42Å; R147-S151 PolarHBondContact O-N 2.87Å; R147-S151 PolarHBondContact O-OG 2.99Å; F148-S151 WeakPolarHBondContact O-CB 3.48Å; F148-S151 PolarHBondContact O-N 3.09Å; S151-N154 PolarHBondContact O-N 3.04Å; S151-T155 PolarHBondContact O-N 3.02Å; S151-T155 PolarHBondContact O-OG1 2.81Å |
| 152 | L | 92 | Very high | 84.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 177 | -180 | 66 | 0 | 0 | 0 | 111.6 | L30 F33 F148 A149 N154 T155 W156 L169 M171 | L30-L152 HydrophobicContact CD2-CB 3.99Å; F33-L152 HydrophobicContact CB-CD1 3.72Å; F33-L152 HydrophobicContact CB-CD2 4.41Å; F33-L152 HydrophobicContact CD1-CD1 4.1Å; F33-L152 HydrophobicContact CD1-CD2 3.51Å; F33-L152 HydrophobicContact CD1-CG 4.42Å; F33-L152 HydrophobicContact CD2-CD2 4.03Å; F33-L152 HydrophobicContact CE1-CD2 3.58Å; F33-L152 HydrophobicContact CE2-CD2 4.12Å; F33-L152 HydrophobicContact CG-CD1 3.96Å; F33-L152 HydrophobicContact CG-CD2 3.72Å; F33-L152 HydrophobicContact CZ-CD2 3.91Å; F148-L152 HydrophobicContact CE1-CD2 4.23Å; F148-L152 WeakPolarHBondContact O-CB 3.46Å; F148-L152 PolarHBondContact O-N 3.39Å; A149-L152 PolarHBondContact O-N 3.21Å; L152-N154 VanDerWaalsContact C-N 3.3Å; L152-N154 PolarHBondContact O-N 3.43Å; L152-T155 WeakPolarHBondContact O-CB 3.32Å; L152-T155 PolarHBondContact O-N 3.42Å; L152-T155 VanDerWaalsContact O-N 3.17Å; L152-W156 HydrophobicContact CD1-CD2 4.4Å; L152-W156 HydrophobicContact CD1-CZ2 3.85Å; L152-W156 HydrophobicContact CD2-CH2 3.78Å; L152-W156 HydrophobicContact CD2-CZ2 3.58Å; L152-W156 HydrophobicContact CG-CD2 4.17Å; L152-W156 HydrophobicContact CG-CH2 4.09Å; L152-W156 HydrophobicContact CG-CZ2 3.67Å; L152-W156 PolarHBondContact O-N 3.46Å; L152-L169 HydrophobicContact CD2-CD2 4.16Å; L152-M171 HydrophobicContact CD2-CE 3.42Å; L152-M171 VanDerWaalsContact CD2-CE 3.42Å |
| 153 | L | 90.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 177.2 | -174.2 | 60.1 | 0 | 0 | 0 | 111.4 | A149 S150 W156 N157 V166 L169 T198 R200 | A149-L153 WeakPolarHBondContact O-CB 3.46Å; A149-L153 PolarHBondContact O-N 3.43Å; S150-L153 PolarHBondContact O-N 2.94Å; L153-W156 HydrophobicContact CD1-CE3 4.4Å; L153-N157 WeakPolarHBondContact O-CB 3.42Å; L153-N157 PolarHBondContact O-N 3.43Å; L153-N157 VanDerWaalsContact O-N 3.16Å; L153-N157 PolarHBondContact O-ND2 3.06Å; L153-V166 HydrophobicContact CD1-CB 3.7Å; L153-V166 HydrophobicContact CD1-CG1 3.65Å; L153-V166 VanDerWaalsContact CD1-O 3.32Å; L153-V166 WeakPolarHBondContact CD1-O 3.42Å; L153-L169 HydrophobicContact CB-CD2 4.43Å; L153-L169 HydrophobicContact CD1-CB 4.17Å; L153-L169 HydrophobicContact CD2-CB 4.48Å; L153-T198 HydrophobicContact CB-CG2 4.37Å; L153-T198 HydrophobicContact CD2-CG2 4.03Å; L153-R200 HydrophobicContact CD2-CB 4.05Å |
| 154 | N | 88.1 | Confident | 82.9 | Confident | 89 Ų | 89 | 54.1 Ų | 54.1 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 174.5 | -71 | -22.7 | 0 | 0 | 0 | 111.3 | S150 S151 L152 W156 N157 S158 | S150-N154 VanDerWaalsContact O-CG 3.28Å; S150-N154 PolarHBondContact O-N 3.16Å; S150-N154 PolarHBondContact O-ND2 3.46Å; S151-N154 PolarHBondContact O-N 3.04Å; L152-N154 VanDerWaalsContact C-N 3.3Å; L152-N154 PolarHBondContact O-N 3.43Å; N154-W156 PolarHBondContact O-N 3.17Å; N154-N157 CarbonylContact O-C 3.55Å; N154-N157 PolarHBondContact O-N 2.99Å; N154-S158 WeakPolarHBondContact O-CB 2.98Å; N154-S158 PolarHBondContact O-N 3.23Å; N154-S158 PolarHBondContact O-OG 3.29Å; N154-S158 VanDerWaalsContact O-OG 3.04Å |
| 155 | T | 87.6 | Confident | 82.5 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | S151 L152 N157 S158 R159 | S151-T155 PolarHBondContact O-N 3.02Å; S151-T155 PolarHBondContact O-OG1 2.81Å; L152-T155 WeakPolarHBondContact O-CB 3.32Å; L152-T155 PolarHBondContact O-N 3.42Å; L152-T155 VanDerWaalsContact O-N 3.17Å; T155-N157 VanDerWaalsContact C-N 3.32Å; T155-N157 PolarHBondContact O-N 2.93Å; T155-S158 WeakPolarHBondContact CA-OG 3.19Å; T155-S158 PolarHBondContact O-N 3.15Å; T155-S158 PolarHBondContact O-OG 2.97Å; T155-R159 WeakPolarHBondContact O-CG 3.43Å |
| 156 | W | 86.3 | Confident | 82.1 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.038 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.6 | -68.2 | -18.8 | 0 | 0 | 0 | 112.8 | F33 P34 P36 V109 L152 L153 N154 V166 L169 | F33-W156 HydrophobicContact CD1-CH2 4.45Å; F33-W156 AromaticContact CD1-CZ2 3.74Å; F33-W156 HydrophobicContact CD1-CZ2 3.74Å; F33-W156 HydrophobicContact CE1-CH2 4.24Å; F33-W156 AromaticContact CE1-CZ2 3.96Å; F33-W156 HydrophobicContact CE1-CZ2 3.96Å; P34-W156 VanDerWaalsContact O-CZ2 3.32Å; P34-W156 WeakPolarHBondContact O-CZ2 3.32Å; P36-W156 HydrophobicContact CG-CD2 4.17Å; P36-W156 HydrophobicContact CG-CE3 3.98Å; P36-W156 HydrophobicContact CG-CZ3 4.17Å; V109-W156 HydrophobicContact CG2-CH2 3.92Å; L152-W156 HydrophobicContact CD1-CD2 4.4Å; L152-W156 HydrophobicContact CD1-CZ2 3.85Å; L152-W156 HydrophobicContact CD2-CH2 3.78Å; L152-W156 HydrophobicContact CD2-CZ2 3.58Å; L152-W156 HydrophobicContact CG-CD2 4.17Å; L152-W156 HydrophobicContact CG-CH2 4.09Å; L152-W156 HydrophobicContact CG-CZ2 3.67Å; L152-W156 PolarHBondContact O-N 3.46Å; L153-W156 HydrophobicContact CD1-CE3 4.4Å; N154-W156 PolarHBondContact O-N 3.17Å; W156-V166 HydrophobicContact CE3-CG2 4.32Å; W156-L169 HydrophobicContact CH2-CD1 4.07Å; W156-L169 HydrophobicContact CH2-CD2 4.24Å; W156-L169 HydrophobicContact CZ3-CD1 3.87Å; W156-L169 HydrophobicContact CZ3-CD2 3.92Å; W156-L169 HydrophobicContact CZ3-CG 4.41Å |
| 157 | N | 84.7 | Confident | 81.9 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -83.1 | -15.5 | -177.2 | -69.1 | -44.2 | 0 | 0 | 0 | 114.1 | L153 N154 T155 L165 V166 R200 | L153-N157 WeakPolarHBondContact O-CB 3.42Å; L153-N157 PolarHBondContact O-N 3.43Å; L153-N157 VanDerWaalsContact O-N 3.16Å; L153-N157 PolarHBondContact O-ND2 3.06Å; N154-N157 CarbonylContact O-C 3.55Å; N154-N157 PolarHBondContact O-N 2.99Å; T155-N157 VanDerWaalsContact C-N 3.32Å; T155-N157 PolarHBondContact O-N 2.93Å; N157-L165 HydrophobicContact CB-CD2 4.24Å; N157-L165 WeakPolarHBondContact OD1-CA 3.46Å; N157-L165 WeakPolarHBondContact OD1-CD2 3.42Å; N157-V166 PolarHBondContact ND2-O 3.47Å; N157-V166 PolarHBondContact OD1-N 3.23Å; N157-R200 VanDerWaalsContact ND2-CD 3.33Å; N157-R200 WeakPolarHBondContact ND2-CD 3.45Å |
| 158 | S | 82.4 | Confident | 81.8 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -5.3 | -179.8 | 67.2 | 0 | 0 | 0 | 0 | 114.6 | N154 T155 | N154-S158 WeakPolarHBondContact O-CB 2.98Å; N154-S158 PolarHBondContact O-N 3.23Å; N154-S158 PolarHBondContact O-OG 3.29Å; N154-S158 VanDerWaalsContact O-OG 3.04Å; T155-S158 WeakPolarHBondContact CA-OG 3.19Å; T155-S158 PolarHBondContact O-N 3.15Å; T155-S158 PolarHBondContact O-OG 2.97Å |
| 159 | R | 71.4 | Confident | 81.8 | Confident | 128 Ų | 128 | 45.8 Ų | 45.8 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -63.7 | 143.2 | 179.7 | -65 | -176.1 | 177.6 | -165.9 | -2.2 | 110.1 | T155 S161 P162 | T155-R159 WeakPolarHBondContact O-CG 3.43Å; R159-S161 PolarHBondContact O-N 3.28Å; R159-P162 VanDerWaalsContact O-CD 3.23Å; R159-P162 WeakPolarHBondContact O-CD 3.29Å |
| 160 | D | 63.6 | Low | 81.9 | Confident | 166 Ų | 166 | 45.9 Ų | 45.9 | 89% | 0.888 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -56 | 112.7 | 172.3 | -67.5 | -35.9 | 0 | 0 | 0 | 109 | ||
| 161 | S | 61.7 | Low | 82.1 | Confident | 113 Ų | 113 | 44.2 Ų | 44.2 | 79% | 0.79 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 54.7 | 72 | -174.5 | -172.3 | 0 | 0 | 0 | 0 | 113.5 | R159 T163 | R159-S161 PolarHBondContact O-N 3.28Å; S161-T163 PolarHBondContact O-N 3.14Å |
| 162 | P | 63.9 | Low | 82.2 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | trans | -61.6 | 131.5 | -177.9 | 28.3 | -31.2 | 0 | 0 | 0 | 109.8 | R159 C164 L165 | R159-P162 VanDerWaalsContact O-CD 3.23Å; R159-P162 WeakPolarHBondContact O-CD 3.29Å; P162-C164 PolarHBondContact O-N 3.21Å; P162-L165 HydrophobicContact CB-CD2 4.3Å; P162-L165 HydrophobicContact CG-CD2 3.54Å; P162-L165 HydrophobicContact CG-CG 4.25Å | ||
| 163 | T | 64.8 | Low | 82.3 | Confident | 102 Ų | 102 | 41.8 Ų | 41.8 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -60.4 | -27.9 | -179.8 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | N37 S161 | N37-T163 VanDerWaalsContact CG-OG1 3.28Å; N37-T163 WeakPolarHBondContact ND2-CG2 3.19Å; N37-T163 PolarHBondContact ND2-OG1 3.35Å; S161-T163 PolarHBondContact O-N 3.14Å |
| 164 | C | 72.7 | Confident | 82.4 | Confident | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.081 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -152.2 | 151.7 | 166.4 | 72.8 | 0 | 0 | 0 | 0 | 110.8 | C81 L82 P162 | C81-C164 HydrophobicContact CB-CB 3.37Å; C81-C164 WeakPolarHBondContact CB-SG 3.47Å; C81-C164 WeakPolarHBondContact O-CB 3.35Å; C81-C164 WeakPolarHBondContact SG-CB 3.44Å; C81-C164 CovalentContact SG-SG 2.06Å; C81-C164 PolarHBondContact SG-SG 3.38Å; L82-C164 HydrophobicContact CD2-CB 4.05Å; P162-C164 PolarHBondContact O-N 3.21Å |
| 165 | L | 79.7 | Confident | 82.5 | Confident | 46 Ų | 46 | 40.1 Ų | 40.1 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | trans | -96.7 | 130.5 | 172.7 | -68.2 | 171.9 | 0 | 0 | 0 | 109.7 | C81 S105 N157 P162 | C81-L165 VanDerWaalsContact CB-O 3.25Å; C81-L165 WeakPolarHBondContact CB-O 3.37Å; S105-L165 VanDerWaalsContact CB-O 3.26Å; S105-L165 WeakPolarHBondContact CB-O 3.46Å; S105-L165 PolarHBondContact OG-O 2.93Å; N157-L165 HydrophobicContact CB-CD2 4.24Å; N157-L165 WeakPolarHBondContact OD1-CA 3.46Å; N157-L165 WeakPolarHBondContact OD1-CD2 3.42Å; P162-L165 HydrophobicContact CB-CD2 4.3Å; P162-L165 HydrophobicContact CG-CD2 3.54Å; P162-L165 HydrophobicContact CG-CG 4.25Å | ||
| 166 | V | 85.2 | Confident | 82.7 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -104.7 | 122 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 108 | P36 C81 H107 L153 W156 N157 I168 | P36-V166 HydrophobicContact CG-CG2 3.75Å; C81-V166 HydrophobicContact CB-CG2 3.93Å; H107-V166 HydrophobicContact CB-CG1 3.69Å; H107-V166 HydrophobicContact CB-CG2 4.24Å; L153-V166 HydrophobicContact CD1-CB 3.7Å; L153-V166 HydrophobicContact CD1-CG1 3.65Å; L153-V166 VanDerWaalsContact CD1-O 3.32Å; L153-V166 WeakPolarHBondContact CD1-O 3.42Å; W156-V166 HydrophobicContact CE3-CG2 4.32Å; N157-V166 PolarHBondContact ND2-O 3.47Å; N157-V166 PolarHBondContact OD1-N 3.23Å; V166-I168 WeakPolarHBondContact CG1-O 3.48Å | ||
| 167 | D | 85.4 | Confident | 82.8 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -89.2 | -39.9 | 178.7 | -70 | -47.9 | 0 | 0 | 0 | 111.7 | L103 E104 S105 V199 R200 | L103-D167 HydrophobicContact CB-CB 4.21Å; L103-D167 HydrophobicContact CD2-CB 3.69Å; E104-D167 PolarHBondContact N-OD2 2.91Å; S105-D167 PolarHBondContact N-OD2 3.36Å; S105-D167 WeakPolarHBondContact O-CA 3.3Å; S105-D167 WeakPolarHBondContact O-CB 3.36Å; S105-D167 PolarHBondContact O-N 3.16Å; D167-V199 CarbonylContact O-C 3.58Å; D167-V199 WeakPolarHBondContact O-CA 3.3Å; D167-R200 WeakPolarHBondContact O-CB 3.35Å; D167-R200 PolarHBondContact O-N 2.92Å; D167-R200 IonicContact OD1-CZ 2.82Å; D167-R200 IonicContact OD1-NE 2.77Å; D167-R200 PolarHBondContact OD1-NE 3.01Å; D167-R200 IonicContact OD1-NH2 3.77Å; D167-R200 PolarHBondContact OD1-NH2 3.48Å |
| 168 | I | 89.2 | Confident | 83 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.9 | -174.2 | -58.6 | 156.6 | 0 | 0 | 0 | 107.5 | M78 S105 T106 H107 V166 V199 L238 L242 | M78-I168 HydrophobicContact CE-CD1 4.29Å; M78-I168 HydrophobicContact SD-CD1 4.18Å; S105-I168 PolarHBondContact O-N 3.22Å; T106-I168 CarbonylContact C-O 3.51Å; T106-I168 WeakPolarHBondContact CA-O 3.44Å; T106-I168 HydrophobicContact CG2-CB 4.05Å; T106-I168 HydrophobicContact CG2-CG2 3.87Å; T106-I168 WeakPolarHBondContact OG1-CD1 3.33Å; H107-I168 PolarHBondContact N-O 3.02Å; V166-I168 WeakPolarHBondContact CG1-O 3.48Å; I168-V199 HydrophobicContact CG1-CG2 4.27Å; I168-L238 HydrophobicContact CD1-CD2 4.36Å; I168-L238 HydrophobicContact CG2-CD2 3.66Å; I168-L242 HydrophobicContact CD1-CD1 3.48Å; I168-L242 VanDerWaalsContact CD1-CD1 3.48Å; I168-L242 HydrophobicContact CD1-CD2 4.31Å |
| 169 | L | 92.7 | Very high | 83 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.9 | 173.5 | 169 | 61.5 | 0 | 0 | 0 | 109.5 | H107 V109 A149 L152 L153 W156 M171 T198 | H107-L169 WeakPolarHBondContact O-CA 3.32Å; V109-L169 HydrophobicContact CB-CD1 4.5Å; V109-L169 HydrophobicContact CG2-CD1 3.93Å; A149-L169 HydrophobicContact CB-CD2 4.42Å; L152-L169 HydrophobicContact CD2-CD2 4.16Å; L153-L169 HydrophobicContact CB-CD2 4.43Å; L153-L169 HydrophobicContact CD1-CB 4.17Å; L153-L169 HydrophobicContact CD2-CB 4.48Å; W156-L169 HydrophobicContact CH2-CD1 4.07Å; W156-L169 HydrophobicContact CH2-CD2 4.24Å; W156-L169 HydrophobicContact CZ3-CD1 3.87Å; W156-L169 HydrophobicContact CZ3-CD2 3.92Å; W156-L169 HydrophobicContact CZ3-CG 4.41Å; L169-M171 HydrophobicContact CD2-CE 3.97Å; L169-M171 HydrophobicContact CG-CB 4.46Å; L169-T198 HydrophobicContact CB-CG2 3.68Å; L169-T198 HydrophobicContact CD2-CG2 4.01Å; L169-T198 HydrophobicContact CG-CG2 4.08Å; L169-T198 PolarHBondContact N-O 3.29Å; L169-T198 PolarHBondContact O-N 3Å |
| 170 | L | 94.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115.6 | 165.4 | -62 | 168.2 | 0 | 0 | 0 | 107.2 | F71 T106 H107 L108 V109 L195 V197 A234 L235 | F71-L170 HydrophobicContact CE1-CD1 4.01Å; F71-L170 HydrophobicContact CZ-CD1 3.9Å; T106-L170 HydrophobicContact CG2-CD1 3.86Å; T106-L170 HydrophobicContact CG2-CG 4.19Å; H107-L170 PolarHBondContact O-N 2.95Å; L108-L170 CarbonylContact C-O 3.57Å; L108-L170 VanDerWaalsContact CA-O 3.3Å; L108-L170 WeakPolarHBondContact CA-O 3.45Å; L108-L170 HydrophobicContact CB-CB 4.46Å; L108-L170 HydrophobicContact CD1-CB 3.78Å; V109-L170 PolarHBondContact N-O 2.87Å; L170-L195 HydrophobicContact CB-CD1 4.47Å; L170-L195 HydrophobicContact CD2-CD1 4.44Å; L170-V197 HydrophobicContact CD2-CB 4.24Å; L170-V197 HydrophobicContact CD2-CG1 3.87Å; L170-V197 HydrophobicContact CD2-CG2 3.61Å; L170-A234 HydrophobicContact CD2-CB 4.46Å; L170-L235 HydrophobicContact CD1-CD2 3.76Å; L170-L235 HydrophobicContact CD1-CG 4.35Å |
| 171 | M | 95.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.7 | 179.5 | -174.3 | -175 | -66.9 | 0 | 0 | 109.7 | F33 V109 V114 L145 F148 A149 L152 L169 V173 L195 V196 | F33-M171 HydrophobicContact CE2-CE 4.06Å; F33-M171 HydrophobicContact CE2-SD 4.38Å; F33-M171 HydrophobicContact CZ-CE 3.83Å; F33-M171 HydrophobicContact CZ-SD 4.37Å; V109-M171 CarbonylContact O-C 3.52Å; V109-M171 WeakPolarHBondContact O-CA 3.32Å; V114-M171 HydrophobicContact CG2-SD 4.5Å; L145-M171 HydrophobicContact CD1-SD 4.13Å; F148-M171 HydrophobicContact CD1-CE 4.05Å; F148-M171 HydrophobicContact CD1-SD 4.21Å; F148-M171 HydrophobicContact CE1-CE 3.96Å; F148-M171 HydrophobicContact CE1-SD 4.29Å; A149-M171 HydrophobicContact CB-CE 3.91Å; A149-M171 HydrophobicContact CB-SD 4.38Å; L152-M171 HydrophobicContact CD2-CE 3.42Å; L152-M171 VanDerWaalsContact CD2-CE 3.42Å; L169-M171 HydrophobicContact CD2-CE 3.97Å; L169-M171 HydrophobicContact CG-CB 4.46Å; M171-V173 HydrophobicContact CG-CG2 3.74Å; M171-V173 HydrophobicContact SD-CG2 3.84Å; M171-L195 CarbonylContact O-C 3.52Å; M171-L195 WeakPolarHBondContact O-CA 3.43Å; M171-V196 HydrophobicContact CB-CB 4.4Å; M171-V196 PolarHBondContact N-O 3.28Å; M171-V196 PolarHBondContact O-N 3.22Å |
| 172 | M | 94.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.2 | 174.1 | -64.3 | -177.2 | 68.7 | 0 | 0 | 110.3 | W58 L108 V109 M110 V111 P193 T194 L195 V227 R230 V231 | W58-M172 HydrophobicContact CH2-CB 4.34Å; W58-M172 HydrophobicContact CZ3-CB 3.98Å; L108-M172 HydrophobicContact CD1-CG 4.27Å; L108-M172 HydrophobicContact CD1-SD 4.24Å; V109-M172 PolarHBondContact O-N 3.3Å; M110-M172 WeakPolarHBondContact CA-O 3.39Å; M110-M172 HydrophobicContact CG-CB 4.03Å; M110-M172 HydrophobicContact CG-SD 4.41Å; V111-M172 PolarHBondContact N-O 2.98Å; M172-P193 HydrophobicContact CB-CB 4.46Å; M172-P193 HydrophobicContact CE-CB 4.31Å; M172-P193 HydrophobicContact CE-CG 3.61Å; M172-T194 CarbonylContact C-O 3.56Å; M172-T194 VanDerWaalsContact CA-O 3.31Å; M172-T194 WeakPolarHBondContact CA-O 3.47Å; M172-L195 HydrophobicContact CG-CD1 3.76Å; M172-V227 HydrophobicContact CE-CG1 4.14Å; M172-V227 HydrophobicContact CE-CG2 4.23Å; M172-V227 HydrophobicContact SD-CG1 3.95Å; M172-R230 HydrophobicContact CE-CB 4.09Å; M172-V231 HydrophobicContact SD-CG2 4.07Å |
| 173 | V | 93.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129.6 | -173.4 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | V111 V114 L145 M171 E175 V176 P193 T194 | V111-V173 HydrophobicContact CG2-CG1 4.38Å; V111-V173 HydrophobicContact CG2-CG2 3.94Å; V111-V173 WeakPolarHBondContact O-CA 3.07Å; V114-V173 HydrophobicContact CB-CG1 4.11Å; V114-V173 HydrophobicContact CG2-CG1 3.84Å; V114-V173 HydrophobicContact CG2-CG2 3.82Å; L145-V173 HydrophobicContact CD1-CG2 4.1Å; L145-V173 HydrophobicContact CD2-CB 4.27Å; L145-V173 HydrophobicContact CD2-CG2 4.09Å; M171-V173 HydrophobicContact CG-CG2 3.74Å; M171-V173 HydrophobicContact SD-CG2 3.84Å; V173-E175 WeakPolarHBondContact CG1-O 3.5Å; V173-V176 HydrophobicContact CB-CG2 4.45Å; V173-V176 HydrophobicContact CG1-CG2 4Å; V173-P193 CarbonylContact O-C 3.59Å; V173-P193 WeakPolarHBondContact O-CA 3.15Å; V173-T194 PolarHBondContact N-O 3.1Å; V173-T194 PolarHBondContact O-N 3.46Å |
| 174 | K | 91.7 | Very high | 86.6 | Confident | 48 Ų | 48 | 29.2 Ų | 29.2 | 21% | 0.209 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -38.9 | 175.3 | -80.7 | 166.6 | -172.4 | 165 | 0 | 112.7 | W58 V111 N112 N189 P193 | W58-K174 VanDerWaalsContact CE2-CE 3.4Å; W58-K174 HydrophobicContact CH2-CB 4.35Å; W58-K174 HydrophobicContact CH2-CD 4.05Å; W58-K174 HydrophobicContact CH2-CG 3.59Å; W58-K174 HydrophobicContact CZ2-CB 4.03Å; W58-K174 HydrophobicContact CZ2-CD 3.4Å; W58-K174 VanDerWaalsContact CZ2-CD 3.4Å; W58-K174 VanDerWaalsContact CZ2-CE 3.46Å; W58-K174 HydrophobicContact CZ2-CG 3.38Å; W58-K174 HydrophobicContact CZ3-CG 4.49Å; V111-K174 PolarHBondContact O-N 3.14Å; N112-K174 CarbonylContact O-C 3.6Å; N112-K174 WeakPolarHBondContact O-CB 3.47Å; N112-K174 PolarHBondContact OD1-NZ 3.33Å; K174-N189 PolarHBondContact O-N 2.67Å; K174-P193 HydrophobicContact CG-CB 4.15Å |
| 175 | E | 91.1 | Very high | 87.1 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.9 | -177.6 | -176.3 | 176.5 | 129.5 | 0 | 0 | 111.5 | N112 K113 V114 V173 V177 T186 L187 R188 | N112-E175 WeakPolarHBondContact O-CB 3.46Å; N112-E175 PolarHBondContact O-N 3.28Å; K113-E175 CarbonylContact C-O 3.58Å; K113-E175 VanDerWaalsContact CA-O 3.26Å; K113-E175 WeakPolarHBondContact CA-O 3.06Å; K113-E175 HydrophobicContact CB-CB 4.23Å; K113-E175 WeakPolarHBondContact CD-OE1 3.41Å; K113-E175 WeakPolarHBondContact CE-OE1 3.45Å; K113-E175 HydrophobicContact CG-CB 4.11Å; K113-E175 HydrophobicContact CG-CG 4.12Å; K113-E175 IonicContact NZ-OE1 3.84Å; K113-E175 PolarHBondContact NZ-OE1 3.19Å; V114-E175 PolarHBondContact N-O 2.72Å; V173-E175 WeakPolarHBondContact CG1-O 3.5Å; E175-V177 HydrophobicContact CG-CG2 4.1Å; E175-V177 WeakPolarHBondContact OE1-CG2 3.43Å; E175-T186 HydrophobicContact CG-CG2 3.94Å; E175-L187 CarbonylContact C-O 3.54Å; E175-L187 VanDerWaalsContact CA-O 3.28Å; E175-L187 WeakPolarHBondContact CA-O 3.31Å; E175-R188 HydrophobicContact CB-CG 4.3Å; E175-R188 HydrophobicContact CG-CG 3.81Å; E175-R188 WeakPolarHBondContact OE2-CG 3.49Å; E175-R188 IonicContact OE2-CZ 2.66Å; E175-R188 IonicContact OE2-NE 3.43Å; E175-R188 PolarHBondContact OE2-NE 2.81Å; E175-R188 IonicContact OE2-NH2 2.89Å; E175-R188 PolarHBondContact OE2-NH2 3.38Å |
| 176 | V | 90.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124 | 172.2 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | L116 A141 L145 V173 L178 T186 L187 | L116-V176 HydrophobicContact CD1-CG1 3.62Å; L116-V176 HydrophobicContact CG-CG1 4.11Å; A141-V176 HydrophobicContact CB-CG1 4.33Å; L145-V176 HydrophobicContact CD1-CG2 4.23Å; L145-V176 HydrophobicContact CD2-CG2 3.88Å; L145-V176 HydrophobicContact CG-CG2 4.45Å; V173-V176 HydrophobicContact CB-CG2 4.45Å; V173-V176 HydrophobicContact CG1-CG2 4Å; V176-L178 HydrophobicContact CG1-CD2 4.22Å; V176-T186 WeakPolarHBondContact O-CA 3.39Å; V176-L187 HydrophobicContact CB-CB 4.35Å; V176-L187 PolarHBondContact N-O 3.25Å; V176-L187 PolarHBondContact O-N 2.98Å |
| 177 | V | 89 | Confident | 87.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.6 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | K113 V114 L116 A119 E175 R184 L185 T186 | K113-V177 HydrophobicContact CG-CG2 4.46Å; V114-V177 PolarHBondContact O-N 3.1Å; L116-V177 PolarHBondContact N-O 2.88Å; A119-V177 HydrophobicContact CB-CG1 4.02Å; E175-V177 HydrophobicContact CG-CG2 4.1Å; E175-V177 WeakPolarHBondContact OE1-CG2 3.43Å; V177-R184 HydrophobicContact CG1-CG 4.18Å; V177-R184 VanDerWaalsContact CG1-NH2 3.32Å; V177-L185 WeakPolarHBondContact CA-O 3.2Å; V177-T186 HydrophobicContact CG2-CG2 4.26Å |
| 178 | L | 88.2 | Confident | 86.9 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 176.5 | 174.4 | 67.2 | 144.6 | 0 | 0 | 0 | 111.9 | L116 I140 A141 V176 R184 L185 | L116-L178 HydrophobicContact CB-CB 4.11Å; L116-L178 HydrophobicContact CD1-CB 3.72Å; L116-L178 HydrophobicContact CD1-CD2 4.37Å; L116-L178 HydrophobicContact CG-CB 4.37Å; I140-L178 HydrophobicContact CG2-CD1 3.62Å; A141-L178 HydrophobicContact CB-CD2 3.77Å; V176-L178 HydrophobicContact CG1-CD2 4.22Å; L178-R184 WeakPolarHBondContact O-CA 3.44Å; L178-L185 HydrophobicContact CD1-CD1 4.32Å; L178-L185 HydrophobicContact CD2-CB 4.04Å; L178-L185 HydrophobicContact CG-CB 4.02Å; L178-L185 PolarHBondContact N-O 2.89Å; L178-L185 PolarHBondContact O-N 2.66Å |
| 179 | C | 83.6 | Confident | 86.5 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 14% | 0.142 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.4 | 173.9 | -176 | 0 | 0 | 0 | 0 | 108.2 | N118 C122 N183 | N118-C179 HydrophobicContact CB-CB 3.94Å; N118-C179 WeakPolarHBondContact O-CB 3.31Å; C122-C179 VanDerWaalsContact CA-SG 3.6Å; C122-C179 HydrophobicContact CB-CB 3.74Å; C122-C179 WeakPolarHBondContact CB-SG 3.25Å; C122-C179 WeakPolarHBondContact SG-CA 3.36Å; C122-C179 WeakPolarHBondContact SG-CB 3.29Å; C122-C179 CovalentContact SG-SG 2Å; C122-C179 PolarHBondContact SG-SG 2.87Å; C179-N183 WeakPolarHBondContact CA-O 3.39Å |
| 180 | D | 82.4 | Confident | 85.4 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.8 | 171.9 | -176.9 | 48 | 0 | 0 | 0 | 109.6 | G182 N183 L185 | D180-G182 PolarHBondContact O-N 2.79Å; D180-G182 VanDerWaalsContact O-N 3.09Å; D180-N183 PolarHBondContact N-O 3Å; D180-N183 WeakPolarHBondContact O-CB 3.24Å; D180-N183 PolarHBondContact O-N 3.34Å; D180-L185 HydrophobicContact CB-CD1 3.52Å; D180-L185 HydrophobicContact CB-CG 4.12Å |
| 181 | R | 79.8 | Confident | 84.4 | Confident | 216 Ų | 216 | 49.4 Ų | 49.4 | 82% | 0.815 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 39.5 | 180 | -56 | 178.4 | -171.5 | 174.2 | 4.8 | 114.3 | N183 | R181-N183 VanDerWaalsContact C-N 3.29Å; R181-N183 PolarHBondContact O-N 2.92Å |
| 182 | G | 78.3 | Confident | 83.7 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 39% | 0.392 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -8.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | C122 D180 | C122-G182 PolarHBondContact SG-O 2.8Å; D180-G182 PolarHBondContact O-N 2.79Å; D180-G182 VanDerWaalsContact O-N 3.09Å |
| 183 | N | 79 | Confident | 83.4 | Confident | 96 Ų | 96 | 53.5 Ų | 53.5 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.9 | 175.7 | -61.5 | -51.5 | 0 | 0 | 0 | 111.4 | C122 C179 D180 R181 L185 | C122-N183 PolarHBondContact SG-N 3.27Å; C122-N183 VanDerWaalsContact SG-N 3.44Å; C122-N183 PolarHBondContact SG-O 2.77Å; C179-N183 WeakPolarHBondContact CA-O 3.39Å; D180-N183 PolarHBondContact N-O 3Å; D180-N183 WeakPolarHBondContact O-CB 3.24Å; D180-N183 PolarHBondContact O-N 3.34Å; R181-N183 VanDerWaalsContact C-N 3.29Å; R181-N183 PolarHBondContact O-N 2.92Å; N183-L185 PolarHBondContact O-N 3.4Å |
| 184 | R | 81.5 | Confident | 83.3 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.2 | 173.6 | -174.7 | -178.5 | 179.2 | 99.2 | -5.5 | 109.1 | C122 V177 L178 | C122-R184 HydrophobicContact CB-CB 4.09Å; C122-R184 PolarHBondContact SG-N 3.41Å; C122-R184 VanDerWaalsContact SG-N 3.4Å; V177-R184 HydrophobicContact CG1-CG 4.18Å; V177-R184 VanDerWaalsContact CG1-NH2 3.32Å; L178-R184 WeakPolarHBondContact O-CA 3.44Å |
| 185 | L | 82 | Confident | 83.4 | Confident | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 140.4 | 172.5 | -54.2 | -179.9 | 0 | 0 | 0 | 109.4 | V137 V177 L178 D180 N183 | V137-L185 HydrophobicContact CG1-CB 4.3Å; V137-L185 HydrophobicContact CG1-CD1 4.5Å; V137-L185 HydrophobicContact CG2-CD1 4.14Å; V137-L185 HydrophobicContact CG2-CD2 4.06Å; V177-L185 WeakPolarHBondContact CA-O 3.2Å; L178-L185 HydrophobicContact CD1-CD1 4.32Å; L178-L185 HydrophobicContact CD2-CB 4.04Å; L178-L185 HydrophobicContact CG-CB 4.02Å; L178-L185 PolarHBondContact N-O 2.89Å; L178-L185 PolarHBondContact O-N 2.66Å; D180-L185 HydrophobicContact CB-CD1 3.52Å; D180-L185 HydrophobicContact CB-CG 4.12Å; N183-L185 PolarHBondContact O-N 3.4Å |
| 186 | T | 81.8 | Confident | 83.6 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 111 | 178.7 | -65.8 | 0 | 0 | 0 | 0 | 108.6 | E175 V176 V177 R188 | E175-T186 HydrophobicContact CG-CG2 3.94Å; V176-T186 WeakPolarHBondContact O-CA 3.39Å; V177-T186 HydrophobicContact CG2-CG2 4.26Å; T186-R188 HydrophobicContact CG2-CG 3.85Å |
| 187 | L | 84.2 | Confident | 83.7 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 113.9 | 171.8 | 177.7 | 65.1 | 0 | 0 | 0 | 107.9 | E138 A141 E175 V176 | E138-L187 HydrophobicContact CG-CD1 3.59Å; E138-L187 HydrophobicContact CG-CD2 4.44Å; A141-L187 HydrophobicContact CB-CB 3.95Å; A141-L187 HydrophobicContact CB-CD2 3.81Å; E175-L187 CarbonylContact C-O 3.54Å; E175-L187 VanDerWaalsContact CA-O 3.28Å; E175-L187 WeakPolarHBondContact CA-O 3.31Å; V176-L187 HydrophobicContact CB-CB 4.35Å; V176-L187 PolarHBondContact N-O 3.25Å; V176-L187 PolarHBondContact O-N 2.98Å |
| 188 | R | 81.6 | Confident | 83.8 | Confident | 111 Ų | 111 | 51.6 Ų | 51.6 | 42% | 0.419 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.7 | 176.7 | -79.5 | 171.6 | 178.1 | -169.5 | 0.1 | 109.9 | D20 E175 T186 | D20-R188 IonicContact OD1-NH1 3.9Å; D20-R188 PolarHBondContact OD1-NH1 2.98Å; E175-R188 HydrophobicContact CB-CG 4.3Å; E175-R188 HydrophobicContact CG-CG 3.81Å; E175-R188 WeakPolarHBondContact OE2-CG 3.49Å; E175-R188 IonicContact OE2-CZ 2.66Å; E175-R188 IonicContact OE2-NE 3.43Å; E175-R188 PolarHBondContact OE2-NE 2.81Å; E175-R188 IonicContact OE2-NH2 2.89Å; E175-R188 PolarHBondContact OE2-NH2 3.38Å; T186-R188 HydrophobicContact CG2-CG 3.85Å |
| 189 | N | 79.8 | Confident | 83.9 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -134.7 | 70.1 | 175 | -157.5 | -18.3 | 0 | 0 | 0 | 110.8 | K174 H191 R192 | K174-N189 PolarHBondContact O-N 2.67Å; N189-H191 VanDerWaalsContact C-N 3.3Å; N189-H191 PolarHBondContact O-N 3.06Å; N189-R192 WeakPolarHBondContact CB-O 3.43Å; N189-R192 PolarHBondContact ND2-O 3.03Å; N189-R192 CarbonylContact O-C 3.29Å; N189-R192 VanDerWaalsContact O-C 3.29Å; N189-R192 PolarHBondContact O-N 3.22Å; N189-R192 WeakPolarHBondContact OD1-CA 3.39Å; N189-R192 VanDerWaalsContact OD1-CB 3.28Å; N189-R192 WeakPolarHBondContact OD1-CB 3.02Å; N189-R192 PolarHBondContact OD1-N 2.87Å; N189-R192 PolarHBondContact OD1-O 3.12Å | ||
| 190 | H | 69.6 | Low | 83.9 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 32% | 0.324 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -61.6 | -36.9 | -174.9 | -62.4 | -62.7 | 0 | 0 | 0 | 113.2 | L22 | L22-H190 WeakPolarHBondContact CD1-CE1 3.37Š|
| 191 | H | 73.6 | Confident | 83.2 | Confident | 167 Ų | 167 | 52.6 Ų | 52.6 | 77% | 0.773 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -83.8 | -24.8 | -179.3 | -62.2 | -61.4 | 0 | 0 | 0 | 113 | N189 | N189-H191 VanDerWaalsContact C-N 3.3Å; N189-H191 PolarHBondContact O-N 3.06Å |
| 192 | R | 81.5 | Confident | 82.7 | Confident | 80 Ų | 80 | 43.4 Ų | 43.4 | 30% | 0.302 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -135.9 | 76.4 | -177.5 | -56.1 | 173.6 | 65.6 | -169.5 | 9 | 109.6 | N189 T194 N219 R220 N221 | N189-R192 WeakPolarHBondContact CB-O 3.43Å; N189-R192 PolarHBondContact ND2-O 3.03Å; N189-R192 CarbonylContact O-C 3.29Å; N189-R192 VanDerWaalsContact O-C 3.29Å; N189-R192 PolarHBondContact O-N 3.22Å; N189-R192 WeakPolarHBondContact OD1-CA 3.39Å; N189-R192 VanDerWaalsContact OD1-CB 3.28Å; N189-R192 WeakPolarHBondContact OD1-CB 3.02Å; N189-R192 PolarHBondContact OD1-N 2.87Å; N189-R192 PolarHBondContact OD1-O 3.12Å; R192-T194 PolarHBondContact O-N 2.84Å; R192-N219 PolarHBondContact NH2-O 2.87Å; R192-R220 PolarHBondContact NH2-O 3.27Å; R192-N221 PolarHBondContact NH2-O 3.33Å |
| 193 | P | 89.4 | Confident | 82.2 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 5% | 0.045 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -53.2 | 140 | 179.3 | 23.5 | -35.7 | 0 | 0 | 0 | 111.4 | W58 M172 V173 K174 L195 | W58-P193 HydrophobicContact CH2-CB 3.44Å; W58-P193 VanDerWaalsContact CH2-CB 3.44Å; W58-P193 HydrophobicContact CH2-CG 4.05Å; W58-P193 HydrophobicContact CZ3-CB 3.53Å; W58-P193 HydrophobicContact CZ3-CG 3.61Å; M172-P193 HydrophobicContact CB-CB 4.46Å; M172-P193 HydrophobicContact CE-CB 4.31Å; M172-P193 HydrophobicContact CE-CG 3.61Å; V173-P193 CarbonylContact O-C 3.59Å; V173-P193 WeakPolarHBondContact O-CA 3.15Å; K174-P193 HydrophobicContact CG-CB 4.15Å; P193-L195 PolarHBondContact O-N 3.1Å |
| 194 | T | 91.4 | Very high | 81.8 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.3 | -179.4 | -57.2 | 0 | 0 | 0 | 0 | 109 | Y142 L145 M172 V173 R192 | Y142-T194 HydrophobicContact CD2-CG2 3.89Å; Y142-T194 HydrophobicContact CE2-CG2 4.35Å; L145-T194 HydrophobicContact CD2-CG2 4.05Å; M172-T194 CarbonylContact C-O 3.56Å; M172-T194 VanDerWaalsContact CA-O 3.31Å; M172-T194 WeakPolarHBondContact CA-O 3.47Å; V173-T194 PolarHBondContact N-O 3.1Å; V173-T194 PolarHBondContact O-N 3.46Å; R192-T194 PolarHBondContact O-N 2.84Å |
| 195 | L | 93.7 | Very high | 81.7 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.7 | 170.8 | 177.5 | 68.8 | 0 | 0 | 0 | 110.1 | L170 M171 M172 P193 V197 N218 N219 A234 | L170-L195 HydrophobicContact CB-CD1 4.47Å; L170-L195 HydrophobicContact CD2-CD1 4.44Å; M171-L195 CarbonylContact O-C 3.52Å; M171-L195 WeakPolarHBondContact O-CA 3.43Å; M172-L195 HydrophobicContact CG-CD1 3.76Å; P193-L195 PolarHBondContact O-N 3.1Å; L195-V197 HydrophobicContact CD1-CG2 4.45Å; L195-V197 HydrophobicContact CD2-CG2 4.2Å; L195-V197 HydrophobicContact CG-CG2 4.15Å; L195-N218 HydrophobicContact CD2-CB 3.91Å; L195-N219 WeakPolarHBondContact CB-OD1 3.33Å; L195-N219 PolarHBondContact N-OD1 2.95Å; L195-N219 PolarHBondContact O-ND2 3.34Å; L195-A234 HydrophobicContact CD2-CB 3.65Å |
| 196 | V | 94.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.7 | 169.2 | 156.6 | 0 | 0 | 0 | 0 | 108.5 | Y142 L145 M146 A149 M171 | Y142-V196 HydrophobicContact CD2-CG2 4.34Å; Y142-V196 HydrophobicContact CE2-CG2 3.9Å; L145-V196 HydrophobicContact CB-CG2 4.36Å; L145-V196 HydrophobicContact CD2-CG2 3.63Å; L145-V196 HydrophobicContact CG-CG2 3.84Å; M146-V196 HydrophobicContact CG-CG1 4.44Å; M146-V196 HydrophobicContact CG-CG2 4.22Å; M146-V196 HydrophobicContact SD-CB 4.09Å; M146-V196 HydrophobicContact SD-CG1 3.46Å; M146-V196 WeakPolarHBondContact SD-CG1 3.33Å; M146-V196 HydrophobicContact SD-CG2 3.88Å; A149-V196 HydrophobicContact CB-CG1 3.47Å; A149-V196 VanDerWaalsContact CB-CG1 3.47Å; M171-V196 HydrophobicContact CB-CB 4.4Å; M171-V196 PolarHBondContact N-O 3.28Å; M171-V196 PolarHBondContact O-N 3.22Å |
| 197 | V | 93.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.4 | 177.1 | -171.9 | 0 | 0 | 0 | 0 | 108.6 | L170 L195 L211 L214 A215 L238 | L170-V197 HydrophobicContact CD2-CB 4.24Å; L170-V197 HydrophobicContact CD2-CG1 3.87Å; L170-V197 HydrophobicContact CD2-CG2 3.61Å; L195-V197 HydrophobicContact CD1-CG2 4.45Å; L195-V197 HydrophobicContact CD2-CG2 4.2Å; L195-V197 HydrophobicContact CG-CG2 4.15Å; V197-L211 HydrophobicContact CG1-CD2 3.94Å; V197-L214 HydrophobicContact CG2-CD2 3.85Å; V197-A215 HydrophobicContact CG2-CB 4.38Å; V197-L238 HydrophobicContact CG1-CD1 4.29Å; V197-L238 HydrophobicContact CG1-CD2 4.45Å |
| 198 | T | 91.3 | Very high | 81.6 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.8 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | A149 S150 L153 L169 | A149-T198 HydrophobicContact CB-CG2 3.88Å; S150-T198 PolarHBondContact OG-OG1 3.27Å; L153-T198 HydrophobicContact CB-CG2 4.37Å; L153-T198 HydrophobicContact CD2-CG2 4.03Å; L169-T198 HydrophobicContact CB-CG2 3.68Å; L169-T198 HydrophobicContact CD2-CG2 4.01Å; L169-T198 HydrophobicContact CG-CG2 4.08Å; L169-T198 PolarHBondContact N-O 3.29Å; L169-T198 PolarHBondContact O-N 3Å |
| 199 | V | 89.3 | Confident | 81.8 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.6 | -178.4 | 178 | 0 | 0 | 0 | 0 | 109.3 | L103 D167 I168 L211 | L103-V199 HydrophobicContact CD1-CG1 3.44Å; L103-V199 VanDerWaalsContact CD1-CG1 3.44Å; L103-V199 HydrophobicContact CD2-CG1 4.17Å; L103-V199 HydrophobicContact CG-CG1 4.45Å; D167-V199 CarbonylContact O-C 3.58Å; D167-V199 WeakPolarHBondContact O-CA 3.3Å; I168-V199 HydrophobicContact CG1-CG2 4.27Å; V199-L211 HydrophobicContact CB-CD1 4.15Å; V199-L211 HydrophobicContact CG2-CD1 3.6Å; V199-L211 HydrophobicContact CG2-CD2 4.28Å |
| 200 | R | 83.8 | Confident | 82.3 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 137.4 | -176.8 | -179.5 | 173.2 | 68.1 | 137.5 | -3.7 | 111 | L153 N157 D167 E202 | L153-R200 HydrophobicContact CD2-CB 4.05Å; N157-R200 VanDerWaalsContact ND2-CD 3.33Å; N157-R200 WeakPolarHBondContact ND2-CD 3.45Å; D167-R200 WeakPolarHBondContact O-CB 3.35Å; D167-R200 PolarHBondContact O-N 2.92Å; D167-R200 IonicContact OD1-CZ 2.82Å; D167-R200 IonicContact OD1-NE 2.77Å; D167-R200 PolarHBondContact OD1-NE 3.01Å; D167-R200 IonicContact OD1-NH2 3.77Å; D167-R200 PolarHBondContact OD1-NH2 3.48Å; R200-E202 PolarHBondContact O-N 3.35Å; R200-E202 VanDerWaalsContact O-N 3.15Å |
| 201 | G | 68.7 | Low | 83.3 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 52% | 0.515 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 5.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 202 | E | 69.4 | Low | 84.1 | Confident | 23 Ų | 23 | 44 Ų | 44 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | trans | -86.9 | 123.4 | -172.3 | -170.7 | 58.9 | -98 | 0 | 0 | 112.8 | F100 R200 D204 L207 L208 | F100-E202 WeakPolarHBondContact CE1-OE2 3.42Å; R200-E202 PolarHBondContact O-N 3.35Å; R200-E202 VanDerWaalsContact O-N 3.15Å; E202-D204 HydrophobicContact CG-CB 4.44Å; E202-D204 WeakPolarHBondContact OE1-CA 3.32Å; E202-D204 WeakPolarHBondContact OE1-CB 3.43Å; E202-D204 PolarHBondContact OE1-N 3.05Å; E202-L207 HydrophobicContact CG-CB 3.88Å; E202-L207 HydrophobicContact CG-CD2 3.8Å; E202-L207 HydrophobicContact CG-CG 4.05Å; E202-L207 VanDerWaalsContact OE2-CD2 3.29Å; E202-L207 WeakPolarHBondContact OE2-CD2 3.27Å; E202-L208 HydrophobicContact CG-CG 4.38Å | ||
| 203 | N | 66.3 | Low | 84.6 | Confident | 143 Ų | 143 | 48.2 Ų | 48.2 | 77% | 0.765 | 25% | 0.247 | S | C | * | . | trans | -120.9 | -4.3 | 172.3 | -68.7 | -36.8 | 0 | 0 | 0 | 112.1 | R205 | N203-R205 PolarHBondContact O-N 3.31Å; N203-R205 VanDerWaalsContact O-N 3.13Å | ||
| 204 | D | 70.9 | Confident | 84.8 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | trans | -65 | 110.3 | 174.2 | -168.3 | -31.9 | 0 | 0 | 0 | 108.9 | E202 L206 L207 L208 R248 | E202-D204 HydrophobicContact CG-CB 4.44Å; E202-D204 WeakPolarHBondContact OE1-CA 3.32Å; E202-D204 WeakPolarHBondContact OE1-CB 3.43Å; E202-D204 PolarHBondContact OE1-N 3.05Å; D204-L206 PolarHBondContact O-N 3.05Å; D204-L206 VanDerWaalsContact O-N 3.15Å; D204-L206 WeakPolarHBondContact OD1-CA 3.35Å; D204-L206 WeakPolarHBondContact OD1-CB 3.36Å; D204-L206 PolarHBondContact OD1-N 3.12Å; D204-L207 PolarHBondContact O-N 3.26Å; D204-L207 VanDerWaalsContact O-N 3.1Å; D204-L208 WeakPolarHBondContact O-CG 3.05Å; D204-L208 PolarHBondContact O-N 3.48Å; D204-R248 IonicContact OD2-CZ 3.43Å; D204-R248 IonicContact OD2-NH1 3.6Å; D204-R248 PolarHBondContact OD2-NH1 2.69Å | ||
| 205 | R | 78.6 | Confident | 84.8 | Confident | 221 Ų | 221 | 47.7 Ų | 47.7 | 83% | 0.834 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -56.8 | -28.8 | 178.4 | -65.7 | -176.9 | 176.8 | -177.2 | -1.2 | 112.5 | N203 G209 | N203-R205 PolarHBondContact O-N 3.31Å; N203-R205 VanDerWaalsContact O-N 3.13Å; R205-G209 PolarHBondContact O-N 3.26Å |
| 206 | L | 80.8 | Confident | 84.6 | Confident | 113 Ų | 113 | 49.5 Ų | 49.5 | 59% | 0.592 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -70.6 | -43.8 | 177.3 | -60.8 | 172.8 | 0 | 0 | 0 | 111.4 | D204 G209 A210 | D204-L206 PolarHBondContact O-N 3.05Å; D204-L206 VanDerWaalsContact O-N 3.15Å; D204-L206 WeakPolarHBondContact OD1-CA 3.35Å; D204-L206 WeakPolarHBondContact OD1-CB 3.36Å; D204-L206 PolarHBondContact OD1-N 3.12Å; L206-G209 PolarHBondContact O-N 3.48Å; L206-A210 WeakPolarHBondContact O-CB 3.38Å; L206-A210 PolarHBondContact O-N 3.48Å |
| 207 | L | 82.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 176.1 | -176.8 | 45 | 0 | 0 | 0 | 109.9 | E202 D204 G209 A210 L211 F245 | E202-L207 HydrophobicContact CG-CB 3.88Å; E202-L207 HydrophobicContact CG-CD2 3.8Å; E202-L207 HydrophobicContact CG-CG 4.05Å; E202-L207 VanDerWaalsContact OE2-CD2 3.29Å; E202-L207 WeakPolarHBondContact OE2-CD2 3.27Å; D204-L207 PolarHBondContact O-N 3.26Å; D204-L207 VanDerWaalsContact O-N 3.1Å; L207-G209 VanDerWaalsContact C-N 3.26Å; L207-G209 PolarHBondContact O-N 2.86Å; L207-A210 CarbonylContact O-C 3.59Å; L207-A210 PolarHBondContact O-N 2.95Å; L207-L211 HydrophobicContact CD1-CD1 4.04Å; L207-L211 HydrophobicContact CD1-CD2 4.02Å; L207-L211 HydrophobicContact CD1-CG 3.7Å; L207-L211 HydrophobicContact CG-CD1 3.91Å; L207-L211 HydrophobicContact CG-CG 4.08Å; L207-L211 WeakPolarHBondContact O-CG 3.46Å; L207-L211 PolarHBondContact O-N 3.12Å; L207-F245 VanDerWaalsContact CA-CZ 3.43Å; L207-F245 HydrophobicContact CB-CD1 4.25Å; L207-F245 HydrophobicContact CB-CD2 4.27Å; L207-F245 HydrophobicContact CB-CE1 3.61Å; L207-F245 HydrophobicContact CB-CE2 3.66Å; L207-F245 HydrophobicContact CB-CZ 3.31Å; L207-F245 HydrophobicContact CD1-CD2 3.58Å; L207-F245 HydrophobicContact CD1-CE2 3.38Å; L207-F245 HydrophobicContact CD1-CG 4.39Å; L207-F245 HydrophobicContact CD1-CZ 4.04Å; L207-F245 HydrophobicContact CD2-CD1 4.19Å; L207-F245 HydrophobicContact CD2-CD2 4.01Å; L207-F245 HydrophobicContact CD2-CE1 4.41Å; L207-F245 HydrophobicContact CD2-CE2 4.26Å; L207-F245 HydrophobicContact CD2-CG 4.02Å; L207-F245 HydrophobicContact CD2-CZ 4.47Å; L207-F245 HydrophobicContact CG-CD2 4.14Å; L207-F245 HydrophobicContact CG-CE1 4.42Å; L207-F245 HydrophobicContact CG-CE2 3.9Å; L207-F245 HydrophobicContact CG-CZ 4.08Å |
| 208 | L | 83.3 | Confident | 84.4 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.8 | -42 | 177.7 | -68.7 | 172.6 | 0 | 0 | 0 | 111.7 | E202 D204 L211 K212 | E202-L208 HydrophobicContact CG-CG 4.38Å; D204-L208 WeakPolarHBondContact O-CG 3.05Å; D204-L208 PolarHBondContact O-N 3.48Å; L208-L211 PolarHBondContact O-N 3.11Å; L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-K212 PolarHBondContact O-N 2.98Å |
| 209 | G | 87.2 | Confident | 84.4 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R205 L206 L207 R213 | R205-G209 PolarHBondContact O-N 3.26Å; L206-G209 PolarHBondContact O-N 3.48Å; L207-G209 VanDerWaalsContact C-N 3.26Å; L207-G209 PolarHBondContact O-N 2.86Å; G209-R213 WeakPolarHBondContact O-CB 2.99Å; G209-R213 PolarHBondContact O-N 2.79Å |
| 210 | A | 89 | Confident | 84.3 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 22% | 0.223 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L206 L207 R213 L214 L241 | L206-A210 WeakPolarHBondContact O-CB 3.38Å; L206-A210 PolarHBondContact O-N 3.48Å; L207-A210 CarbonylContact O-C 3.59Å; L207-A210 PolarHBondContact O-N 2.95Å; A210-R213 PolarHBondContact O-N 3.29Å; A210-L214 WeakPolarHBondContact O-CB 3.47Å; A210-L214 PolarHBondContact O-N 3.41Å; A210-L241 HydrophobicContact CB-CD1 4.13Å; A210-L241 HydrophobicContact CB-CD2 3.86Å |
| 211 | L | 90.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 175.7 | -66.4 | 175.3 | 0 | 0 | 0 | 111.6 | V197 V199 L207 L208 L214 A215 L238 L241 | V197-L211 HydrophobicContact CG1-CD2 3.94Å; V199-L211 HydrophobicContact CB-CD1 4.15Å; V199-L211 HydrophobicContact CG2-CD1 3.6Å; V199-L211 HydrophobicContact CG2-CD2 4.28Å; L207-L211 HydrophobicContact CD1-CD1 4.04Å; L207-L211 HydrophobicContact CD1-CD2 4.02Å; L207-L211 HydrophobicContact CD1-CG 3.7Å; L207-L211 HydrophobicContact CG-CD1 3.91Å; L207-L211 HydrophobicContact CG-CG 4.08Å; L207-L211 WeakPolarHBondContact O-CG 3.46Å; L207-L211 PolarHBondContact O-N 3.12Å; L208-L211 PolarHBondContact O-N 3.11Å; L211-L214 PolarHBondContact O-N 3.24Å; L211-A215 WeakPolarHBondContact O-CB 3.39Å; L211-A215 PolarHBondContact O-N 3.47Å; L211-L238 HydrophobicContact CD2-CD1 3.52Å; L211-L241 HydrophobicContact CD2-CD1 4.43Å |
| 212 | K | 90.6 | Very high | 85.1 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.2 | -50 | 173.1 | 175.5 | 167.8 | -177.6 | 179.4 | 0 | 110.3 | Y142 E143 L208 L214 A215 D216 | Y142-K212 HydrophobicContact CE1-CD 4.24Å; Y142-K212 HydrophobicContact CE1-CG 3.95Å; E143-K212 IonicContact OE1-NZ 3.11Å; L208-K212 WeakPolarHBondContact O-CB 3.49Å; L208-K212 PolarHBondContact O-N 2.98Å; K212-L214 PolarHBondContact O-N 3.2Å; K212-A215 PolarHBondContact O-N 2.99Å; K212-D216 WeakPolarHBondContact O-CB 3.47Å; K212-D216 VanDerWaalsContact O-CG 3.27Å; K212-D216 PolarHBondContact O-N 3.12Å |
| 213 | R | 91.5 | Very high | 85.9 | Confident | 169 Ų | 169 | 69.8 Ų | 69.8 | 64% | 0.638 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.9 | -44.8 | 178.2 | -177.6 | 176.3 | 175.9 | 169.3 | 2.3 | 112.7 | G209 A210 A215 D216 E217 | G209-R213 WeakPolarHBondContact O-CB 2.99Å; G209-R213 PolarHBondContact O-N 2.79Å; A210-R213 PolarHBondContact O-N 3.29Å; R213-A215 VanDerWaalsContact C-N 3.34Å; R213-A215 PolarHBondContact O-N 3.46Å; R213-D216 PolarHBondContact O-N 3.19Å; R213-E217 HydrophobicContact CG-CG 4.42Å; R213-E217 WeakPolarHBondContact CG-OE1 3.36Å; R213-E217 IonicContact CZ-OE1 2.87Å; R213-E217 IonicContact NE-OE1 3.49Å; R213-E217 PolarHBondContact NE-OE1 3.11Å; R213-E217 IonicContact NH2-OE1 3.54Å; R213-E217 PolarHBondContact NH2-OE1 3.29Å; R213-E217 WeakPolarHBondContact O-CB 3.23Å; R213-E217 WeakPolarHBondContact O-CG 3.13Å; R213-E217 PolarHBondContact O-N 3.34Å |
| 214 | L | 93.3 | Very high | 86.7 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -47.7 | 176.3 | 176 | 163.9 | 0 | 0 | 0 | 111.2 | V197 A210 L211 K212 E217 N218 A234 A237 L238 L241 | V197-L214 HydrophobicContact CG2-CD2 3.85Å; A210-L214 WeakPolarHBondContact O-CB 3.47Å; A210-L214 PolarHBondContact O-N 3.41Å; L211-L214 PolarHBondContact O-N 3.24Å; K212-L214 PolarHBondContact O-N 3.2Å; L214-E217 PolarHBondContact O-N 2.93Å; L214-N218 WeakPolarHBondContact O-CB 3.45Å; L214-N218 PolarHBondContact O-N 2.81Å; L214-A234 HydrophobicContact CD2-CB 4.33Å; L214-A237 VanDerWaalsContact CD1-C 3.48Å; L214-A237 HydrophobicContact CD1-CB 3.49Å; L214-A237 VanDerWaalsContact CD1-CB 3.49Å; L214-A237 HydrophobicContact CG-CB 3.73Å; L214-L238 HydrophobicContact CD1-CB 4.02Å; L214-L241 HydrophobicContact CB-CD1 4.45Å; L214-L241 HydrophobicContact CD1-CD1 3.81Å |
| 215 | A | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y142 V197 L211 K212 R213 N218 N219 | Y142-A215 HydrophobicContact CE2-CB 4.42Å; Y142-A215 WeakPolarHBondContact OH-CB 3.38Å; V197-A215 HydrophobicContact CG2-CB 4.38Å; L211-A215 WeakPolarHBondContact O-CB 3.39Å; L211-A215 PolarHBondContact O-N 3.47Å; K212-A215 PolarHBondContact O-N 2.99Å; R213-A215 VanDerWaalsContact C-N 3.34Å; R213-A215 PolarHBondContact O-N 3.46Å; A215-N218 PolarHBondContact O-N 3.14Å; A215-N219 VanDerWaalsContact O-CB 3.28Å; A215-N219 WeakPolarHBondContact O-CB 3.49Å; A215-N219 PolarHBondContact O-N 3.39Å; A215-N219 PolarHBondContact O-ND2 3.25Å; A215-N219 VanDerWaalsContact O-ND2 3.16Å |
| 216 | D | 90.5 | Very high | 87.6 | Confident | 39 Ų | 39 | 58 Ų | 58 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 177 | -72.4 | -20.7 | 0 | 0 | 0 | 111.8 | K212 R213 N218 N219 R220 | K212-D216 WeakPolarHBondContact O-CB 3.47Å; K212-D216 VanDerWaalsContact O-CG 3.27Å; K212-D216 PolarHBondContact O-N 3.12Å; R213-D216 PolarHBondContact O-N 3.19Å; D216-N218 VanDerWaalsContact C-N 3.34Å; D216-N218 PolarHBondContact O-N 3.48Å; D216-N219 PolarHBondContact O-N 3.5Å; D216-R220 VanDerWaalsContact O-CB 3.29Å; D216-R220 WeakPolarHBondContact O-CB 3.38Å; D216-R220 VanDerWaalsContact O-CG 3.23Å; D216-R220 WeakPolarHBondContact O-CG 3.29Å; D216-R220 PolarHBondContact O-N 2.95Å |
| 217 | E | 91.6 | Very high | 88 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.9 | -74.3 | 174.4 | -173.7 | 0 | 0 | 111.1 | R213 L214 N221 | R213-E217 HydrophobicContact CG-CG 4.42Å; R213-E217 WeakPolarHBondContact CG-OE1 3.36Å; R213-E217 IonicContact CZ-OE1 2.87Å; R213-E217 IonicContact NE-OE1 3.49Å; R213-E217 PolarHBondContact NE-OE1 3.11Å; R213-E217 IonicContact NH2-OE1 3.54Å; R213-E217 PolarHBondContact NH2-OE1 3.29Å; R213-E217 WeakPolarHBondContact O-CB 3.23Å; R213-E217 WeakPolarHBondContact O-CG 3.13Å; R213-E217 PolarHBondContact O-N 3.34Å; L214-E217 PolarHBondContact O-N 2.93Å; E217-N221 VanDerWaalsContact O-CB 3.32Å; E217-N221 WeakPolarHBondContact O-CB 3.48Å; E217-N221 PolarHBondContact O-N 3.25Å |
| 218 | N | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 176.2 | -160 | -55.1 | 0 | 0 | 0 | 112.2 | L195 L214 A215 D216 R220 N221 L224 R230 N233 A234 | L195-N218 HydrophobicContact CD2-CB 3.91Å; L214-N218 WeakPolarHBondContact O-CB 3.45Å; L214-N218 PolarHBondContact O-N 2.81Å; A215-N218 PolarHBondContact O-N 3.14Å; D216-N218 VanDerWaalsContact C-N 3.34Å; D216-N218 PolarHBondContact O-N 3.48Å; N218-R220 PolarHBondContact O-N 3.32Å; N218-N221 PolarHBondContact O-N 3.4Å; N218-L224 WeakPolarHBondContact OD1-CD1 3.47Å; N218-R230 PolarHBondContact ND2-O 3.23Å; N218-R230 PolarHBondContact O-NH1 3.5Å; N218-N233 PolarHBondContact ND2-ND2 3.32Å; N218-A234 PolarHBondContact ND2-N 3.09Å |
| 219 | N | 89.6 | Confident | 88.8 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 179.7 | -73.6 | -25.4 | 0 | 0 | 0 | 111.6 | R192 L195 A215 D216 | R192-N219 PolarHBondContact NH2-O 2.87Å; L195-N219 WeakPolarHBondContact CB-OD1 3.33Å; L195-N219 PolarHBondContact N-OD1 2.95Å; L195-N219 PolarHBondContact O-ND2 3.34Å; A215-N219 VanDerWaalsContact O-CB 3.28Å; A215-N219 WeakPolarHBondContact O-CB 3.49Å; A215-N219 PolarHBondContact O-N 3.39Å; A215-N219 PolarHBondContact O-ND2 3.25Å; A215-N219 VanDerWaalsContact O-ND2 3.16Å; D216-N219 PolarHBondContact O-N 3.5Å |
| 220 | R | 87.3 | Confident | 89 | Confident | 197 Ų | 197 | 54.2 Ų | 54.2 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -77.9 | -24.6 | -179.9 | -69.6 | 175.1 | -176.3 | -167.1 | 1.5 | 113.5 | R192 D216 N218 A222 | R192-R220 PolarHBondContact NH2-O 3.27Å; D216-R220 VanDerWaalsContact O-CB 3.29Å; D216-R220 WeakPolarHBondContact O-CB 3.38Å; D216-R220 VanDerWaalsContact O-CG 3.23Å; D216-R220 WeakPolarHBondContact O-CG 3.29Å; D216-R220 PolarHBondContact O-N 2.95Å; N218-R220 PolarHBondContact O-N 3.32Å; R220-A222 PolarHBondContact O-N 3.01Å |
| 221 | N | 87.6 | Confident | 89.1 | Confident | 57 Ų | 57 | 53 Ų | 53 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | trans | -65.8 | 111.2 | 179.9 | -168.5 | -8 | 0 | 0 | 0 | 111.6 | R192 E217 N218 S223 L224 R230 | R192-N221 PolarHBondContact NH2-O 3.33Å; E217-N221 VanDerWaalsContact O-CB 3.32Å; E217-N221 WeakPolarHBondContact O-CB 3.48Å; E217-N221 PolarHBondContact O-N 3.25Å; N218-N221 PolarHBondContact O-N 3.4Å; N221-S223 VanDerWaalsContact C-N 3.32Å; N221-S223 PolarHBondContact ND2-OG 2.96Å; N221-S223 WeakPolarHBondContact OD1-CB 3.31Å; N221-S223 PolarHBondContact OD1-N 3.38Å; N221-S223 PolarHBondContact OD1-OG 3.43Å; N221-L224 HydrophobicContact CB-CD1 3.86Å; N221-L224 HydrophobicContact CB-CG 3.99Å; N221-R230 PolarHBondContact O-NH2 2.94Å | ||
| 222 | A | 82.3 | Confident | 89.2 | Confident | 78 Ų | 78 | 57 Ų | 57 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R220 L224 | R220-A222 PolarHBondContact O-N 3.01Å; A222-L224 PolarHBondContact O-N 3.48Å |
| 223 | S | 85.9 | Confident | 89.3 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 59% | 0.594 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17 | 178.2 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | N221 S225 | N221-S223 VanDerWaalsContact C-N 3.32Å; N221-S223 PolarHBondContact ND2-OG 2.96Å; N221-S223 WeakPolarHBondContact OD1-CB 3.31Å; N221-S223 PolarHBondContact OD1-N 3.38Å; N221-S223 PolarHBondContact OD1-OG 3.43Å; S223-S225 PolarHBondContact O-N 3.47Å; S223-S225 VanDerWaalsContact O-N 3.14Å |
| 224 | L | 82.9 | Confident | 89.3 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | trans | -84.6 | 82.6 | 177.9 | -55.2 | 177.8 | 0 | 0 | 0 | 109.5 | N218 N221 A222 Q229 R230 N233 | N218-L224 WeakPolarHBondContact OD1-CD1 3.47Å; N221-L224 HydrophobicContact CB-CD1 3.86Å; N221-L224 HydrophobicContact CB-CG 3.99Å; A222-L224 PolarHBondContact O-N 3.48Å; L224-Q229 HydrophobicContact CD2-CB 4.08Å; L224-R230 HydrophobicContact CB-CG 3.69Å; L224-R230 HydrophobicContact CD1-CG 4.32Å; L224-R230 PolarHBondContact O-NE 3.41Å; L224-R230 PolarHBondContact O-NH2 2.87Å; L224-N233 HydrophobicContact CD1-CB 3.97Å; L224-N233 HydrophobicContact CD2-CB 4.17Å | ||
| 225 | S | 80.6 | Confident | 89.2 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 69% | 0.692 | 27% | 0.266 | S | S | * | . | trans | -84.5 | -22.1 | -174.3 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | S223 Q229 | S223-S225 PolarHBondContact O-N 3.47Å; S223-S225 VanDerWaalsContact O-N 3.14Å; S225-Q229 PolarHBondContact OG-OE1 2.63Å | ||
| 226 | S | 88.1 | Confident | 89.1 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -117.4 | 155.4 | -176.8 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | Q229 R230 | S226-Q229 PolarHBondContact O-N 3.41Å; S226-Q229 VanDerWaalsContact OG-CG 3.25Å; S226-Q229 WeakPolarHBondContact OG-CG 3.25Å; S226-Q229 PolarHBondContact OG-OE1 2.92Å; S226-R230 WeakPolarHBondContact O-CG 3.43Å; S226-R230 PolarHBondContact O-N 2.98Å; S226-R230 VanDerWaalsContact O-N 3.16Å |
| 227 | V | 89.4 | Confident | 89.1 | Confident | 24 Ų | 24 | 52 Ų | 52 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 112.4 | W58 L59 M110 M172 Q229 R230 V231 | W58-V227 HydrophobicContact CE3-CG2 4.21Å; L59-V227 HydrophobicContact CD2-CB 3.85Å; L59-V227 HydrophobicContact CD2-CG1 3.84Å; L59-V227 HydrophobicContact CD2-CG2 4.29Å; M110-V227 HydrophobicContact SD-CG1 3.66Å; M172-V227 HydrophobicContact CE-CG1 4.14Å; M172-V227 HydrophobicContact CE-CG2 4.23Å; M172-V227 HydrophobicContact SD-CG1 3.95Å; V227-Q229 VanDerWaalsContact C-N 3.33Å; V227-Q229 PolarHBondContact O-N 3.13Å; V227-R230 PolarHBondContact O-N 3.05Å; V227-R230 VanDerWaalsContact O-N 3.14Å; V227-V231 HydrophobicContact CG1-CG2 4.17Å; V227-V231 WeakPolarHBondContact O-CG2 3.45Å; V227-V231 PolarHBondContact O-N 3.45Å |
| 228 | P | 90.6 | Very high | 89 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56 | -43.5 | 176.9 | -25.3 | 33.8 | 0 | 0 | 0 | 113.7 | A63 V67 R230 V231 E232 | A63-P228 HydrophobicContact CB-CG 4.34Å; V67-P228 HydrophobicContact CG2-CB 4.03Å; V67-P228 HydrophobicContact CG2-CG 3.92Å; P228-R230 PolarHBondContact O-N 2.98Å; P228-V231 PolarHBondContact O-N 3.39Å; P228-E232 WeakPolarHBondContact O-CB 3.42Å; P228-E232 PolarHBondContact O-N 2.96Å |
| 229 | Q | 91.7 | Very high | 88.6 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.4 | -73.6 | 168.8 | -29.3 | 0 | 0 | 112.3 | L224 S225 S226 V227 N233 | L224-Q229 HydrophobicContact CD2-CB 4.08Å; S225-Q229 PolarHBondContact OG-OE1 2.63Å; S226-Q229 PolarHBondContact O-N 3.41Å; S226-Q229 VanDerWaalsContact OG-CG 3.25Å; S226-Q229 WeakPolarHBondContact OG-CG 3.25Å; S226-Q229 PolarHBondContact OG-OE1 2.92Å; V227-Q229 VanDerWaalsContact C-N 3.33Å; V227-Q229 PolarHBondContact O-N 3.13Å; Q229-N233 VanDerWaalsContact O-CB 3.31Å; Q229-N233 WeakPolarHBondContact O-CB 3.49Å; Q229-N233 PolarHBondContact O-N 2.79Å |
| 230 | R | 91.7 | Very high | 88.4 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.3 | -72.2 | 177.6 | 175.2 | -83.9 | -23.1 | 111.5 | M172 N218 N221 L224 S226 V227 P228 A234 | M172-R230 HydrophobicContact CE-CB 4.09Å; N218-R230 PolarHBondContact ND2-O 3.23Å; N218-R230 PolarHBondContact O-NH1 3.5Å; N221-R230 PolarHBondContact O-NH2 2.94Å; L224-R230 HydrophobicContact CB-CG 3.69Å; L224-R230 HydrophobicContact CD1-CG 4.32Å; L224-R230 PolarHBondContact O-NE 3.41Å; L224-R230 PolarHBondContact O-NH2 2.87Å; S226-R230 WeakPolarHBondContact O-CG 3.43Å; S226-R230 PolarHBondContact O-N 2.98Å; S226-R230 VanDerWaalsContact O-N 3.16Å; V227-R230 PolarHBondContact O-N 3.05Å; V227-R230 VanDerWaalsContact O-N 3.14Å; P228-R230 PolarHBondContact O-N 2.98Å; R230-A234 WeakPolarHBondContact O-CB 3.24Å; R230-A234 PolarHBondContact O-N 3.03Å |
| 231 | V | 91.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 178.4 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | V67 L70 F71 L108 M172 V227 P228 N233 A234 L235 | V67-V231 HydrophobicContact CG1-CG1 4.14Å; V67-V231 HydrophobicContact CG1-CG2 4.44Å; L70-V231 HydrophobicContact CD1-CB 4.25Å; L70-V231 HydrophobicContact CD1-CG1 4.08Å; F71-V231 HydrophobicContact CE2-CG1 3.97Å; F71-V231 HydrophobicContact CZ-CG1 3.98Å; L108-V231 HydrophobicContact CD1-CG2 4.22Å; L108-V231 HydrophobicContact CD2-CG1 4.38Å; L108-V231 HydrophobicContact CD2-CG2 3.69Å; M172-V231 HydrophobicContact SD-CG2 4.07Å; V227-V231 HydrophobicContact CG1-CG2 4.17Å; V227-V231 WeakPolarHBondContact O-CG2 3.45Å; V227-V231 PolarHBondContact O-N 3.45Å; P228-V231 PolarHBondContact O-N 3.39Å; V231-N233 PolarHBondContact O-N 2.86Å; V231-A234 PolarHBondContact O-N 3.04Å; V231-L235 HydrophobicContact CG1-CD1 3.71Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-L235 WeakPolarHBondContact O-CB 3.21Å; V231-L235 VanDerWaalsContact O-CG 3.31Å; V231-L235 WeakPolarHBondContact O-CG 3.43Å; V231-L235 PolarHBondContact O-N 3.27Å |
| 232 | E | 92 | Very high | 87.9 | Confident | 84 Ų | 84 | 43 Ų | 43 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 177.5 | -177.4 | 171.6 | -156.5 | 0 | 0 | 111.3 | L70 P228 A234 L235 L236 | L70-E232 HydrophobicContact CD1-CB 3.75Å; L70-E232 HydrophobicContact CD2-CB 3.89Å; L70-E232 HydrophobicContact CD2-CG 3.86Å; L70-E232 HydrophobicContact CG-CB 4.47Å; P228-E232 WeakPolarHBondContact O-CB 3.42Å; P228-E232 PolarHBondContact O-N 2.96Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 3.29Å; E232-L235 PolarHBondContact O-N 2.06Å; E232-L236 HydrophobicContact CG-CD1 3.92Å; E232-L236 HydrophobicContact CG-CG 4.38Å; E232-L236 WeakPolarHBondContact O-CG 3.15Å; E232-L236 PolarHBondContact O-N 2.9Å |
| 233 | N | 92.7 | Very high | 87.8 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -40.6 | 178 | -176.2 | 75 | 0 | 0 | 0 | 112 | N218 L224 Q229 V231 A237 | N218-N233 PolarHBondContact ND2-ND2 3.32Å; L224-N233 HydrophobicContact CD1-CB 3.97Å; L224-N233 HydrophobicContact CD2-CB 4.17Å; Q229-N233 VanDerWaalsContact O-CB 3.31Å; Q229-N233 WeakPolarHBondContact O-CB 3.49Å; Q229-N233 PolarHBondContact O-N 2.79Å; V231-N233 PolarHBondContact O-N 2.86Å; N233-A237 WeakPolarHBondContact O-CB 3.26Å; N233-A237 PolarHBondContact O-N 2.91Å |
| 234 | A | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L170 L195 L214 N218 R230 V231 E232 A237 L238 | L170-A234 HydrophobicContact CD2-CB 4.46Å; L195-A234 HydrophobicContact CD2-CB 3.65Å; L214-A234 HydrophobicContact CD2-CB 4.33Å; N218-A234 PolarHBondContact ND2-N 3.09Å; R230-A234 WeakPolarHBondContact O-CB 3.24Å; R230-A234 PolarHBondContact O-N 3.03Å; V231-A234 PolarHBondContact O-N 3.04Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 3.29Å; A234-A237 PolarHBondContact O-N 3.18Å; A234-L238 WeakPolarHBondContact O-CB 3.07Å; A234-L238 PolarHBondContact O-N 2.79Å |
| 235 | L | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -43.6 | -178.1 | -71.3 | 173.3 | 0 | 0 | 0 | 112.3 | L70 F71 I76 M78 L170 V231 E232 A237 L238 E239 | L70-L235 HydrophobicContact CB-CD1 3.95Å; F71-L235 HydrophobicContact CD1-CD1 4.11Å; F71-L235 HydrophobicContact CD1-CD2 4.29Å; F71-L235 HydrophobicContact CE1-CD1 3.9Å; F71-L235 HydrophobicContact CE1-CD2 3.76Å; F71-L235 HydrophobicContact CE1-CG 4.39Å; F71-L235 HydrophobicContact CE2-CD1 4.42Å; F71-L235 HydrophobicContact CG-CD1 4.45Å; F71-L235 HydrophobicContact CZ-CD1 4.04Å; F71-L235 HydrophobicContact CZ-CD2 4.39Å; I76-L235 HydrophobicContact CD1-CB 3.62Å; I76-L235 HydrophobicContact CD1-CD1 4.1Å; I76-L235 HydrophobicContact CD1-CG 4.5Å; I76-L235 HydrophobicContact CG1-CB 4.19Å; I76-L235 HydrophobicContact CG2-CB 4.12Å; I76-L235 HydrophobicContact CG2-CD1 4.24Å; I76-L235 HydrophobicContact CG2-CD2 4.19Å; I76-L235 HydrophobicContact CG2-CG 4.42Å; M78-L235 HydrophobicContact CE-CD2 4.43Å; L170-L235 HydrophobicContact CD1-CD2 3.76Å; L170-L235 HydrophobicContact CD1-CG 4.35Å; V231-L235 HydrophobicContact CG1-CD1 3.71Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-L235 WeakPolarHBondContact O-CB 3.21Å; V231-L235 VanDerWaalsContact O-CG 3.31Å; V231-L235 WeakPolarHBondContact O-CG 3.43Å; V231-L235 PolarHBondContact O-N 3.27Å; E232-L235 PolarHBondContact O-N 2.06Å; L235-A237 VanDerWaalsContact C-N 3.3Å; L235-A237 PolarHBondContact O-N 3.01Å; L235-L238 PolarHBondContact O-N 2.7Å; L235-E239 PolarHBondContact O-N 3.11Å; L235-E239 VanDerWaalsContact O-N 3.12Å |
| 236 | L | 89.9 | Confident | 86.6 | Confident | 81 Ų | 81 | 40.2 Ų | 40.2 | 42% | 0.424 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.7 | -35.6 | 177.2 | -70.1 | 175.4 | 0 | 0 | 0 | 112.4 | I76 E232 P240 | I76-L236 HydrophobicContact CD1-CD2 4.28Å; I76-L236 HydrophobicContact CG1-CD2 4.39Å; E232-L236 HydrophobicContact CG-CD1 3.92Å; E232-L236 HydrophobicContact CG-CG 4.38Å; E232-L236 WeakPolarHBondContact O-CG 3.15Å; E232-L236 PolarHBondContact O-N 2.9Å; L236-P240 WeakPolarHBondContact O-CD 3.07Å |
| 237 | A | 90.2 | Very high | 85.9 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -76.5 | -29.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L214 N233 A234 L235 P240 | L214-A237 VanDerWaalsContact CD1-C 3.48Å; L214-A237 HydrophobicContact CD1-CB 3.49Å; L214-A237 VanDerWaalsContact CD1-CB 3.49Å; L214-A237 HydrophobicContact CG-CB 3.73Å; N233-A237 WeakPolarHBondContact O-CB 3.26Å; N233-A237 PolarHBondContact O-N 2.91Å; A234-A237 PolarHBondContact O-N 3.18Å; L235-A237 VanDerWaalsContact C-N 3.3Å; L235-A237 PolarHBondContact O-N 3.01Å; A237-P240 WeakPolarHBondContact O-CD 3.18Å; A237-P240 WeakPolarHBondContact O-CG 3.25Å |
| 238 | L | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.7 | -39.5 | -177.1 | -179.5 | 62.9 | 0 | 0 | 0 | 112.5 | M78 I168 V197 L211 L214 A234 L235 L241 L242 | M78-L238 HydrophobicContact CE-CD2 4.24Å; I168-L238 HydrophobicContact CD1-CD2 4.36Å; I168-L238 HydrophobicContact CG2-CD2 3.66Å; V197-L238 HydrophobicContact CG1-CD1 4.29Å; V197-L238 HydrophobicContact CG1-CD2 4.45Å; L211-L238 HydrophobicContact CD2-CD1 3.52Å; L214-L238 HydrophobicContact CD1-CB 4.02Å; A234-L238 WeakPolarHBondContact O-CB 3.07Å; A234-L238 PolarHBondContact O-N 2.79Å; L235-L238 PolarHBondContact O-N 2.7Å; L238-L241 WeakPolarHBondContact O-CB 3.28Å; L238-L241 PolarHBondContact O-N 3.21Å; L238-L241 VanDerWaalsContact O-N 3.14Å; L238-L242 HydrophobicContact CD1-CD1 4.25Å; L238-L242 HydrophobicContact CD1-CD2 4.26Å; L238-L242 HydrophobicContact CD1-CG 3.99Å; L238-L242 HydrophobicContact CD2-CD1 4.13Å; L238-L242 HydrophobicContact CG-CD1 3.76Å; L238-L242 HydrophobicContact CG-CG 3.98Å; L238-L242 WeakPolarHBondContact O-CG 3.05Å; L238-L242 PolarHBondContact O-N 3.33Å |
| 239 | E | 84.4 | Confident | 83.6 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -52.8 | -51.9 | -178.2 | -176.6 | 175 | -151.4 | 0 | 0 | 114.5 | K75 L235 L241 L242 E243 | K75-E239 VanDerWaalsContact O-OE1 3.11Å; L235-E239 PolarHBondContact O-N 3.11Å; L235-E239 VanDerWaalsContact O-N 3.12Å; E239-L241 VanDerWaalsContact C-N 3.27Å; E239-L241 PolarHBondContact O-N 3.08Å; E239-L242 PolarHBondContact O-N 2.97Å; E239-E243 WeakPolarHBondContact O-CB 3.36Å; E239-E243 PolarHBondContact O-N 3.35Å |
| 240 | P | 84.5 | Confident | 81.9 | Confident | 78 Ų | 78 | 45.7 Ų | 45.7 | 51% | 0.506 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.7 | -30.6 | 179 | 25.7 | -35.1 | 0 | 0 | 0 | 112.8 | L236 A237 A244 | L236-P240 WeakPolarHBondContact O-CD 3.07Å; A237-P240 WeakPolarHBondContact O-CD 3.18Å; A237-P240 WeakPolarHBondContact O-CG 3.25Å; P240-A244 WeakPolarHBondContact O-CB 3.21Å; P240-A244 PolarHBondContact O-N 3.18Å |
| 241 | L | 84.7 | Confident | 79.8 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 23% | 0.225 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -54.5 | 173.6 | -66.2 | 177.5 | 0 | 0 | 0 | 109.7 | A210 L211 L214 L238 E239 E243 A244 F245 | A210-L241 HydrophobicContact CB-CD1 4.13Å; A210-L241 HydrophobicContact CB-CD2 3.86Å; L211-L241 HydrophobicContact CD2-CD1 4.43Å; L214-L241 HydrophobicContact CB-CD1 4.45Å; L214-L241 HydrophobicContact CD1-CD1 3.81Å; L238-L241 WeakPolarHBondContact O-CB 3.28Å; L238-L241 PolarHBondContact O-N 3.21Å; L238-L241 VanDerWaalsContact O-N 3.14Å; E239-L241 VanDerWaalsContact C-N 3.27Å; E239-L241 PolarHBondContact O-N 3.08Å; L241-E243 VanDerWaalsContact C-N 3.27Å; L241-E243 PolarHBondContact O-N 2.99Å; L241-A244 WeakPolarHBondContact O-CB 3.16Å; L241-A244 PolarHBondContact O-N 3.2Å; L241-A244 VanDerWaalsContact O-N 3.15Å; L241-F245 VanDerWaalsContact O-CD2 3.24Å; L241-F245 WeakPolarHBondContact O-CD2 3.47Å; L241-F245 PolarHBondContact O-N 3.08Å |
| 242 | L | 80.5 | Confident | 77.6 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -42.1 | 179.4 | -65.1 | 174.3 | 0 | 0 | 0 | 111.7 | M78 L103 I168 L238 E239 A244 F245 R246 | M78-L242 HydrophobicContact CE-CD1 3.88Å; L103-L242 HydrophobicContact CD1-CD2 4.03Å; I168-L242 HydrophobicContact CD1-CD1 3.48Å; I168-L242 VanDerWaalsContact CD1-CD1 3.48Å; I168-L242 HydrophobicContact CD1-CD2 4.31Å; L238-L242 HydrophobicContact CD1-CD1 4.25Å; L238-L242 HydrophobicContact CD1-CD2 4.26Å; L238-L242 HydrophobicContact CD1-CG 3.99Å; L238-L242 HydrophobicContact CD2-CD1 4.13Å; L238-L242 HydrophobicContact CG-CD1 3.76Å; L238-L242 HydrophobicContact CG-CG 3.98Å; L238-L242 WeakPolarHBondContact O-CG 3.05Å; L238-L242 PolarHBondContact O-N 3.33Å; E239-L242 PolarHBondContact O-N 2.97Å; L242-A244 PolarHBondContact O-N 3.12Å; L242-F245 PolarHBondContact O-N 2.97Å; L242-R246 VanDerWaalsContact O-CG 3.29Å; L242-R246 WeakPolarHBondContact O-CG 3.16Å; L242-R246 PolarHBondContact O-N 3.45Å |
| 243 | E | 79.7 | Confident | 75 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 178.8 | -173.1 | 57.7 | -158.6 | 0 | 0 | 112.7 | E239 L241 F245 R246 K247 | E239-E243 WeakPolarHBondContact O-CB 3.36Å; E239-E243 PolarHBondContact O-N 3.35Å; L241-E243 VanDerWaalsContact C-N 3.27Å; L241-E243 PolarHBondContact O-N 2.99Å; E243-F245 VanDerWaalsContact C-N 3.32Å; E243-F245 PolarHBondContact O-N 3.04Å; E243-R246 PolarHBondContact O-N 3.46Å; E243-R246 IonicContact OE2-NH1 3.25Å; E243-R246 PolarHBondContact OE2-NH1 3.38Å; E243-K247 WeakPolarHBondContact O-CG 3.26Å; E243-K247 PolarHBondContact O-N 3.47Å; E243-K247 VanDerWaalsContact O-N 3.11Å; E243-K247 WeakPolarHBondContact OE1-CE 3.46Å; E243-K247 IonicContact OE1-NZ 3.28Å |
| 244 | A | 79.6 | Confident | 72.2 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P240 L241 L242 K247 R248 | P240-A244 WeakPolarHBondContact O-CB 3.21Å; P240-A244 PolarHBondContact O-N 3.18Å; L241-A244 WeakPolarHBondContact O-CB 3.16Å; L241-A244 PolarHBondContact O-N 3.2Å; L241-A244 VanDerWaalsContact O-N 3.15Å; L242-A244 PolarHBondContact O-N 3.12Å; A244-K247 PolarHBondContact O-N 3.05Å; A244-R248 PolarHBondContact O-N 3.19Å; A244-R248 VanDerWaalsContact O-N 3.12Å |
| 245 | F | 73.7 | Confident | 69.5 | Low | 25 Ų | 25 | 73.3 Ų | 73.3 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.5 | -43.8 | 177.4 | -83.7 | -81.6 | 0 | 0 | 0 | 112.7 | L207 L241 L242 E243 K247 R248 D249 | L207-F245 VanDerWaalsContact CA-CZ 3.43Å; L207-F245 HydrophobicContact CB-CD1 4.25Å; L207-F245 HydrophobicContact CB-CD2 4.27Å; L207-F245 HydrophobicContact CB-CE1 3.61Å; L207-F245 HydrophobicContact CB-CE2 3.66Å; L207-F245 HydrophobicContact CB-CZ 3.31Å; L207-F245 HydrophobicContact CD1-CD2 3.58Å; L207-F245 HydrophobicContact CD1-CE2 3.38Å; L207-F245 HydrophobicContact CD1-CG 4.39Å; L207-F245 HydrophobicContact CD1-CZ 4.04Å; L207-F245 HydrophobicContact CD2-CD1 4.19Å; L207-F245 HydrophobicContact CD2-CD2 4.01Å; L207-F245 HydrophobicContact CD2-CE1 4.41Å; L207-F245 HydrophobicContact CD2-CE2 4.26Å; L207-F245 HydrophobicContact CD2-CG 4.02Å; L207-F245 HydrophobicContact CD2-CZ 4.47Å; L207-F245 HydrophobicContact CG-CD2 4.14Å; L207-F245 HydrophobicContact CG-CE1 4.42Å; L207-F245 HydrophobicContact CG-CE2 3.9Å; L207-F245 HydrophobicContact CG-CZ 4.08Å; L241-F245 VanDerWaalsContact O-CD2 3.24Å; L241-F245 WeakPolarHBondContact O-CD2 3.47Å; L241-F245 PolarHBondContact O-N 3.08Å; L242-F245 PolarHBondContact O-N 2.97Å; E243-F245 VanDerWaalsContact C-N 3.32Å; E243-F245 PolarHBondContact O-N 3.04Å; F245-K247 VanDerWaalsContact C-N 3.25Å; F245-K247 PolarHBondContact O-N 3.37Å; F245-R248 PolarHBondContact O-N 3.35Å; F245-D249 PolarHBondContact O-N 2.81Å |
| 246 | R | 71.8 | Confident | 66.6 | Low | 60 Ų | 60 | 78.7 Ų | 78.7 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.6 | -42.1 | 173.8 | -71.7 | 178.4 | -171 | 143.8 | -2 | 111.8 | L103 L242 E243 G250 | L103-R246 PolarHBondContact O-NH2 2.86Å; L242-R246 VanDerWaalsContact O-CG 3.29Å; L242-R246 WeakPolarHBondContact O-CG 3.16Å; L242-R246 PolarHBondContact O-N 3.45Å; E243-R246 PolarHBondContact O-N 3.46Å; E243-R246 IonicContact OE2-NH1 3.25Å; E243-R246 PolarHBondContact OE2-NH1 3.38Å; R246-G250 PolarHBondContact O-N 3.09Å |
| 247 | K | 72.2 | Confident | 63.8 | Low | 130 Ų | 130 | 85.4 Ų | 85.4 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 176.6 | -72.6 | 175.3 | -175.5 | 171.2 | 0 | 112.4 | E243 A244 F245 Q251 | E243-K247 WeakPolarHBondContact O-CG 3.26Å; E243-K247 PolarHBondContact O-N 3.47Å; E243-K247 VanDerWaalsContact O-N 3.11Å; E243-K247 WeakPolarHBondContact OE1-CE 3.46Å; E243-K247 IonicContact OE1-NZ 3.28Å; A244-K247 PolarHBondContact O-N 3.05Å; F245-K247 VanDerWaalsContact C-N 3.25Å; F245-K247 PolarHBondContact O-N 3.37Å; K247-Q251 WeakPolarHBondContact O-CG 3.25Å; K247-Q251 PolarHBondContact O-N 2.77Å |
| 248 | R | 69.5 | Low | 60.9 | Low | 103 Ų | 103 | 87.6 Ų | 87.6 | 39% | 0.389 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | -179.5 | -167.9 | 178.8 | -176.8 | -153.4 | -1.8 | 112.2 | D204 A244 F245 Q251 K252 | D204-R248 IonicContact OD2-CZ 3.43Å; D204-R248 IonicContact OD2-NH1 3.6Å; D204-R248 PolarHBondContact OD2-NH1 2.69Å; A244-R248 PolarHBondContact O-N 3.19Å; A244-R248 VanDerWaalsContact O-N 3.12Å; F245-R248 PolarHBondContact O-N 3.35Å; R248-Q251 WeakPolarHBondContact O-CB 3.26Å; R248-Q251 PolarHBondContact O-N 2.97Å; R248-K252 PolarHBondContact O-N 2.95Å |
| 249 | D | 62.8 | Low | 58.3 | Low | 21 Ų | 21 | 92.8 Ų | 92.8 | 11% | 0.112 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -76.7 | -32.1 | 177.5 | -70.1 | -33 | 0 | 0 | 0 | 112.4 | F100 F245 Q251 K252 I253 | F100-D249 HydrophobicContact CB-CB 4.5Å; F100-D249 WeakPolarHBondContact CB-OD2 3.35Å; F100-D249 WeakPolarHBondContact CD2-OD2 3.22Å; F100-D249 WeakPolarHBondContact CG-OD2 3.3Å; F245-D249 PolarHBondContact O-N 2.81Å; D249-Q251 PolarHBondContact O-N 2.83Å; D249-K252 PolarHBondContact O-N 2.76Å; D249-K252 VanDerWaalsContact O-N 3.12Å; D249-K252 IonicContact OD1-NZ 3.48Å; D249-K252 PolarHBondContact OD1-NZ 2.99Å; D249-I253 WeakPolarHBondContact O-CG1 3.29Å; D249-I253 PolarHBondContact O-N 2.95Å |
| 250 | G | 55.1 | Low | 55.9 | Low | 29 Ų | 29 | 97.4 Ų | 97.4 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | R246 R254 | R246-G250 PolarHBondContact O-N 3.09Å; G250-R254 PolarHBondContact O-N 3.27Å |
| 251 | Q | 48.6 | Very low | 53.5 | Low | 140 Ų | 140 | 102.7 Ų | 102.7 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.9 | -40.4 | 172.5 | -78.8 | 179.6 | -12.8 | 0 | 0 | 112.7 | K247 R248 D249 I253 R254 Q255 | K247-Q251 WeakPolarHBondContact O-CG 3.25Å; K247-Q251 PolarHBondContact O-N 2.77Å; R248-Q251 WeakPolarHBondContact O-CB 3.26Å; R248-Q251 PolarHBondContact O-N 2.97Å; D249-Q251 PolarHBondContact O-N 2.83Å; Q251-I253 VanDerWaalsContact C-N 3.33Å; Q251-I253 PolarHBondContact O-N 2.85Å; Q251-R254 PolarHBondContact O-N 3.28Å; Q251-Q255 PolarHBondContact O-N 3.04Å |
| 252 | K | 45.4 | Very low | 51 | Low | 112 Ų | 112 | 103.3 Ų | 103.3 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 174.1 | -72.7 | 179.5 | -173.7 | 157.8 | 0 | 111.8 | R248 D249 R254 Q255 | R248-K252 PolarHBondContact O-N 2.95Å; D249-K252 PolarHBondContact O-N 2.76Å; D249-K252 VanDerWaalsContact O-N 3.12Å; D249-K252 IonicContact OD1-NZ 3.48Å; D249-K252 PolarHBondContact OD1-NZ 2.99Å; K252-R254 VanDerWaalsContact C-N 3.3Å; K252-R254 PolarHBondContact O-N 3.2Å; K252-Q255 PolarHBondContact O-N 2.98Å; K252-Q255 VanDerWaalsContact O-N 3.11Å |
| 253 | I | 37.6 | Very low | 48.7 | Very low | 94 Ų | 94 | 110.4 Ų | 110.4 | 48% | 0.482 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.3 | -35.7 | 178.1 | -63.8 | 168.6 | 0 | 0 | 0 | 111.1 | D249 Q251 Q255 C256 | D249-I253 WeakPolarHBondContact O-CG1 3.29Å; D249-I253 PolarHBondContact O-N 2.95Å; Q251-I253 VanDerWaalsContact C-N 3.33Å; Q251-I253 PolarHBondContact O-N 2.85Å; I253-Q255 PolarHBondContact O-N 3.23Å; I253-C256 PolarHBondContact O-N 3.01Å |
| 254 | R | 34.7 | Very low | 46.4 | Very low | 212 Ų | 212 | 115.8 Ų | 115.8 | 80% | 0.8 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -25.3 | 174.7 | -76.8 | -173.8 | -179.1 | -167.2 | 1.2 | 113.2 | G250 Q251 K252 | G250-R254 PolarHBondContact O-N 3.27Å; Q251-R254 PolarHBondContact O-N 3.28Å; K252-R254 VanDerWaalsContact C-N 3.3Å; K252-R254 PolarHBondContact O-N 3.2Å |
| 255 | Q | 35.2 | Very low | 44 | Very low | 171 Ų | 171 | 120 Ų | 120 | 80% | 0.799 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.3 | -19.2 | 174.2 | -90.8 | 176.7 | -19.9 | 0 | 0 | 114.1 | Q251 K252 I253 R257 | Q251-Q255 PolarHBondContact O-N 3.04Å; K252-Q255 PolarHBondContact O-N 2.98Å; K252-Q255 VanDerWaalsContact O-N 3.11Å; I253-Q255 PolarHBondContact O-N 3.23Å; Q255-R257 VanDerWaalsContact C-N 3.3Å; Q255-R257 PolarHBondContact O-N 3.37Å |
| 256 | C | 29.3 | Very low | 41.9 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 7 | 173.6 | -65.8 | 0 | 0 | 0 | 0 | 114.1 | I253 | I253-C256 PolarHBondContact O-N 3.01Š|
| 257 | R | 30 | Very low | 40 | Very low | 221 Ų | 221 | 126.4 Ų | 126.4 | 83% | 0.834 | 64% | 0.644 | S | S | * | * | trans | -100.6 | 75.4 | 170.6 | -91 | -172.3 | -174 | 172.8 | 3.3 | 111.5 | Q255 | Q255-R257 VanDerWaalsContact C-N 3.3Å; Q255-R257 PolarHBondContact O-N 3.37Å | ||
| 258 | A | 30.7 | Very low | 38 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 69% | 0.686 | 66% | 0.659 | S | S | * | * | trans | -124 | 92.1 | 136.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | H260 | A258-H260 PolarHBondContact O-N 3.18Å; A258-H260 VanDerWaalsContact O-N 3.09Å | ||
| 259 | P | 35.1 | Very low | 36.3 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | trans | -54.4 | 125.5 | 164.4 | 23.6 | -29.3 | 0 | 0 | 0 | 105.6 | Q261 | P259-Q261 PolarHBondContact O-N 2.8Š| ||
| 260 | H | 34.2 | Very low | 34.9 | Very low | 165 Ų | 165 | 140 Ų | 140 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -43.6 | 95.3 | 159.3 | -95.1 | -87.7 | 0 | 0 | 0 | 107.7 | A258 A262 | A258-H260 PolarHBondContact O-N 3.18Å; A258-H260 VanDerWaalsContact O-N 3.09Å; H260-A262 HydrophobicContact CB-CB 3.9Å; H260-A262 WeakPolarHBondContact ND1-CB 3.03Å; H260-A262 PolarHBondContact O-N 3.21Å | ||
| 261 | Q | 32.6 | Very low | 33.7 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 36.5 | 154.7 | -138.4 | 176.3 | 19.2 | 0 | 0 | 108.1 | P259 | P259-Q261 PolarHBondContact O-N 2.8Š|
| 262 | A | 32.2 | Very low | 33 | Very low | 56 Ų | 56 | 147 Ų | 147 | 46% | 0.463 | 75% | 0.746 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | -7.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H260 | H260-A262 HydrophobicContact CB-CB 3.9Å; H260-A262 WeakPolarHBondContact ND1-CB 3.03Å; H260-A262 PolarHBondContact O-N 3.21Å |
| 263 | D | 32.8 | Very low | 32.7 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -100.7 | 12 | -177.9 | -74.3 | -13.2 | 0 | 0 | 0 | 115 | ||
| 264 | Q | 30.3 | Very low | 32.7 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -125.1 | 4.8 | 174.1 | -79.7 | -166.7 | -2.4 | 0 | 0 | 116.8 | A266 | Q264-A266 VanDerWaalsContact C-N 3.32Å; Q264-A266 PolarHBondContact O-N 2.93Å |
| 265 | I | 31 | Very low | 33 | Very low | 145 Ų | 145 | 151.3 Ų | 151.3 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | -104 | 59.2 | 165.7 | -47.9 | -179.9 | 0 | 0 | 0 | 108.2 | I267 | I265-I267 PolarHBondContact O-N 2.95Š| ||
| 266 | A | 29.5 | Very low | 33.2 | Very low | 86 Ų | 86 | 149.8 Ų | 149.8 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -68.2 | 86.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q264 F268 | Q264-A266 VanDerWaalsContact C-N 3.32Å; Q264-A266 PolarHBondContact O-N 2.93Å; A266-F268 PolarHBondContact O-N 3.42Å | ||
| 267 | I | 31.8 | Very low | 33.7 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -5 | 89.6 | 151 | -54.1 | 173.2 | 0 | 0 | 0 | 112.8 | I265 L269 | I265-I267 PolarHBondContact O-N 2.95Å; I267-L269 VanDerWaalsContact C-N 3.33Å; I267-L269 HydrophobicContact CG2-CB 4.09Å | ||
| 268 | F | 30.5 | Very low | 34.1 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -95.7 | 69.9 | 150.7 | -108.8 | -87.7 | 0 | 0 | 0 | 107.2 | A266 | A266-F268 PolarHBondContact O-N 3.42Š| ||
| 269 | L | 32.1 | Very low | 34.5 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -116.5 | 76.7 | 167.6 | -74.3 | 173 | 0 | 0 | 0 | 108.6 | I267 G271 | I267-L269 VanDerWaalsContact C-N 3.33Å; I267-L269 HydrophobicContact CG2-CB 4.09Å; L269-G271 PolarHBondContact O-N 2.96Å | ||
| 270 | H | 33.6 | Very low | 34.7 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | trans | -69.7 | 107.8 | 154.7 | -109.3 | -14 | 0 | 0 | 0 | 108.3 | ||||
| 271 | G | 30.5 | Very low | 34.9 | Very low | 63 Ų | 63 | 147.4 Ų | 147.4 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 91.1 | 120 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | L269 | L269-G271 PolarHBondContact O-N 2.96Š|
| 272 | R | 34.9 | Very low | 35.3 | Very low | 252 Ų | 252 | 142.8 Ų | 142.8 | 95% | 0.951 | 75% | 0.748 | S | S | * | * | trans | 74.4 | 98.1 | 159.5 | -60.5 | 179.7 | 173 | -178.4 | -1.9 | 117.4 | ||||
| 273 | S | 38.5 | Very low | 35.7 | Very low | 89 Ų | 89 | 146.8 Ų | 146.8 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | 159.1 | 112 | 113 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | Q275 | S273-Q275 PolarHBondContact O-N 3.32Š| |||
| 274 | R | 36.9 | Very low | 35.9 | Very low | 252 Ų | 252 | 144.7 Ų | 144.7 | 95% | 0.951 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 22.3 | -177.3 | -88.9 | -176.8 | 172.2 | -174.9 | -1.9 | 115 | ||
| 275 | Q | 41.1 | Very low | 36.2 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -2.8 | -173.2 | -76.3 | -175.8 | -17.2 | 0 | 0 | 116.5 | S273 | S273-Q275 PolarHBondContact O-N 3.32Š|
| 276 | L | 40 | Very low | 36.6 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -10.9 | 178.9 | -96.2 | 129 | 0 | 0 | 0 | 115.5 | S278 | L276-S278 PolarHBondContact O-N 2.89Š|
| 277 | L | 40.3 | Very low | 36.9 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -72.1 | -13.7 | 179 | -99.1 | 112.2 | 0 | 0 | 0 | 114.3 | ||
| 278 | S | 37.6 | Very low | 36.9 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -81 | -14 | -178.6 | -170.4 | 0 | 0 | 0 | 0 | 114.3 | L276 | L276-S278 PolarHBondContact O-N 2.89Å |
| 279 | L | 39.8 | Very low | 36.9 | Very low | 124 Ų | 124 | 145 Ų | 145 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -93.2 | -23.9 | -175 | -98.1 | 135.6 | 0 | 0 | 0 | 114.1 | ||
| 280 | C | 37.5 | Very low | 36.9 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -74.5 | -26.7 | 179.4 | -77.3 | 0 | 0 | 0 | 0 | 113.5 | S282 | C280-S282 PolarHBondContact O-N 3.47Å |
| 281 | F | 38.5 | Very low | 37.1 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -73.2 | -26.4 | -177.5 | -100.9 | -87.7 | 0 | 0 | 0 | 113.9 | ||
| 282 | S | 42.3 | Very low | 37.1 | Very low | 93 Ų | 93 | 151.6 Ų | 151.6 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | H | α-helix | trans | -81.5 | -17.3 | -177 | -63.8 | 0 | 0 | 0 | 0 | 114.5 | C280 | C280-S282 PolarHBondContact O-N 3.47Å |
| 283 | L | 40.4 | Very low | 37.2 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | H | α-helix | trans | -87.2 | -19.4 | -176.8 | -89.9 | 150.3 | 0 | 0 | 0 | 114.1 | ||
| 284 | C | 36.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | H | α-helix | trans | -80.7 | -23.9 | 178.3 | -81.2 | 0 | 0 | 0 | 0 | 114 | ||
| 285 | F | 37.4 | Very low | 37.1 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -91.4 | -7.7 | -177.2 | -94.8 | -84.8 | 0 | 0 | 0 | 115.2 | R287 | F285-R287 PolarHBondContact O-N 2.96Š|
| 286 | A | 38.5 | Very low | 36.9 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 61% | 0.612 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -6.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 287 | R | 35.5 | Very low | 36.7 | Very low | 241 Ų | 241 | 142.8 Ų | 142.8 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -0.9 | -175.3 | -93.3 | -173.9 | 171.8 | -173.2 | -1.5 | 116.3 | F285 | F285-R287 PolarHBondContact O-N 2.96Š|
| 288 | S | 33.4 | Very low | 36.4 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -93 | 11.9 | 178.5 | -62.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 289 | L | 30.2 | Very low | 36.4 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -133.6 | 46.8 | -173.3 | -148.3 | 86.6 | 0 | 0 | 0 | 113.9 | ||
| 290 | V | 31.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 147 Ų | 147 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -147.1 | 104 | 161.8 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 291 | I | 37 | Very low | 36 | Very low | 172 Ų | 172 | 151 Ų | 151 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | 162.9 | 87 | 143 | -75.3 | 151.7 | 0 | 0 | 0 | 104.9 | ||||
| 292 | L | 30.4 | Very low | 35.8 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 100% | 1.262 | 81% | 0.812 | S | S | * | * | trans | -108.5 | 0 | 150.6 | -149 | 143.4 | 0 | 0 | 0 | 105.2 |
Retrieved 292 of 292 residues in 76.6 ms
(Link to these results)