| 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 | 37.2 | Very low | 29.9 | Very low | 233 Ų | 233 | 152.1 Ų | 152.1 | 100% | 1.148 | 87% | 0.868 | S | S | * | * | 0 | 102.1 | 0 | -73.1 | 169.2 | -171.1 | 0 | 0 | 107.5 | H3 | M1-H3 PolarHBondContact O-N 3.26Š| |||
| 2 | T | 33.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 91% | 0.914 | 86% | 0.862 | S | S | * | * | trans | -74.9 | 104.9 | -175.4 | 20 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | H | 28.3 | Very low | 29.5 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 88% | 0.88 | 86% | 0.859 | S | S | * | * | trans | -74.3 | 119.8 | 163.1 | -84.1 | -89.5 | 0 | 0 | 0 | 108.8 | M1 | M1-H3 PolarHBondContact O-N 3.26Š| ||
| 4 | C | 29.6 | Very low | 29 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 89% | 0.892 | 86% | 0.857 | S | S | * | * | trans | -126.9 | 105.7 | 164.8 | -128.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 5 | S | 32.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | -72.6 | 129.9 | -178.8 | 45.1 | 0 | 0 | 0 | 0 | 110.8 | G7 | S5-G7 PolarHBondContact O-N 3.27Š| ||
| 6 | A | 32.3 | Very low | 28.7 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | -69.8 | 109.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | F8 | A6-F8 PolarHBondContact O-N 3.23Š| ||
| 7 | G | 28.8 | Very low | 28.5 | Very low | 75 Ų | 75 | 146.1 Ų | 146.1 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -73.1 | 107.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S5 R9 | S5-G7 PolarHBondContact O-N 3.27Å; G7-R9 PolarHBondContact O-N 3.17Å; G7-R9 VanDerWaalsContact O-N 3.17Å | ||
| 8 | F | 27.9 | Very low | 28.3 | Very low | 193 Ų | 193 | 143 Ų | 143 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -74.8 | 96.6 | 171.3 | -159 | -98.4 | 0 | 0 | 0 | 109.1 | A6 T10 | A6-F8 PolarHBondContact O-N 3.23Å; F8-T10 HydrophobicContact CD1-CG2 4.18Å; F8-T10 HydrophobicContact CE1-CG2 4.05Å; F8-T10 PolarHBondContact O-N 3.34Å | ||
| 9 | R | 25.8 | Very low | 28.2 | Very low | 244 Ų | 244 | 141.8 Ų | 141.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -81.1 | 99.7 | 172.7 | -90.7 | -177.5 | 171.4 | -179.1 | -1.5 | 109.5 | G7 | G7-R9 PolarHBondContact O-N 3.17Å; G7-R9 VanDerWaalsContact O-N 3.17Å | ||
| 10 | T | 26.3 | Very low | 28.3 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | trans | -68.2 | 130.3 | 162.2 | 28.9 | 0 | 0 | 0 | 0 | 109.6 | F8 A12 | F8-T10 HydrophobicContact CD1-CG2 4.18Å; F8-T10 HydrophobicContact CE1-CG2 4.05Å; F8-T10 PolarHBondContact O-N 3.34Å; T10-A12 PolarHBondContact O-N 3.11Å | ||
| 11 | P | 27.1 | Very low | 28.4 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -70 | 130.9 | -177.9 | 25.9 | -31.4 | 0 | 0 | 0 | 110.8 | F13 | P11-F13 PolarHBondContact O-N 3.46Å; P11-F13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | A | 28.8 | Very low | 28 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -62 | 110.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | T10 K14 | T10-A12 PolarHBondContact O-N 3.11Å; A12-K14 PolarHBondContact O-N 2.99Å | ||
| 13 | F | 25.5 | Very low | 28.2 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | -62.3 | 100.3 | 168.1 | -173.7 | -96.2 | 0 | 0 | 0 | 108.2 | P11 P15 | P11-F13 PolarHBondContact O-N 3.46Å; P11-F13 VanDerWaalsContact O-N 3.11Å; F13-P15 HydrophobicContact CE1-CB 4.42Å; F13-P15 VanDerWaalsContact O-CD 3.3Å; F13-P15 WeakPolarHBondContact O-CD 3.3Å | ||
| 14 | K | 22.6 | Very low | 29.1 | Very low | 190 Ų | 190 | 122.2 Ų | 122.2 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | -74.3 | 112.5 | 166.1 | -90.6 | -178.1 | 174.4 | 179 | 0 | 106.9 | A12 S16 | A12-K14 PolarHBondContact O-N 2.99Å; K14-S16 PolarHBondContact O-N 3.12Å; K14-S16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | P | 28.2 | Very low | 30.6 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | trans | -66.1 | 117.2 | 170.9 | 0.7 | 13.7 | 0 | 0 | 0 | 106.9 | F13 T17 | F13-P15 HydrophobicContact CE1-CB 4.42Å; F13-P15 VanDerWaalsContact O-CD 3.3Å; F13-P15 WeakPolarHBondContact O-CD 3.3Å; P15-T17 PolarHBondContact O-N 2.83Å; P15-T17 VanDerWaalsContact O-N 3.13Å | ||
| 16 | S | 25.9 | Very low | 32.6 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | trans | -57.5 | 116.8 | 168.4 | 49.6 | 0 | 0 | 0 | 0 | 108.1 | K14 T18 | K14-S16 PolarHBondContact O-N 3.12Å; K14-S16 VanDerWaalsContact O-N 3.12Å; S16-T18 PolarHBondContact O-N 3.13Å; S16-T18 PolarHBondContact O-OG1 3.41Å | ||
| 17 | T | 25 | Very low | 35.1 | Very low | 145 Ų | 145 | 117.2 Ų | 117.2 | 89% | 0.89 | 67% | 0.67 | S | S | * | * | trans | -72 | 65.7 | 169.9 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | P15 | P15-T17 PolarHBondContact O-N 2.83Å; P15-T17 VanDerWaalsContact O-N 3.13Å | ||
| 18 | T | 24.3 | Very low | 37.8 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 56% | 0.558 | 67% | 0.666 | S | S | * | * | trans | -86.5 | 105.6 | 161.3 | 26 | 0 | 0 | 0 | 0 | 105.8 | S16 S22 | S16-T18 PolarHBondContact O-N 3.13Å; S16-T18 PolarHBondContact O-OG1 3.41Å; T18-S22 WeakPolarHBondContact CB-OG 3.35Å | ||
| 19 | D | 26.6 | Very low | 40.8 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 65% | 0.647 | 65% | 0.65 | S | S | * | * | trans | -44.9 | 135.2 | 166.7 | -84 | -36 | 0 | 0 | 0 | 108.1 | S21 S22 | D19-S21 PolarHBondContact O-N 2.7Å; D19-S22 WeakPolarHBondContact O-CB 3.39Å; D19-S22 PolarHBondContact O-N 3.01Å; D19-S22 PolarHBondContact O-OG 3.2Å | ||
| 20 | P | 30.1 | Very low | 44.1 | Very low | 131 Ų | 131 | 103.5 Ų | 103.5 | 85% | 0.851 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -4.8 | 179.2 | 21.4 | -30.6 | 0 | 0 | 0 | 113.5 | S22 | P20-S22 VanDerWaalsContact C-N 3.35Š|
| 21 | S | 31.3 | Very low | 47.3 | Very low | 101 Ų | 101 | 98.5 Ų | 98.5 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -6.8 | 168.3 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | D19 A23 | D19-S21 PolarHBondContact O-N 2.7Å; S21-A23 VanDerWaalsContact C-N 3.31Å; S21-A23 PolarHBondContact O-N 3.12Å |
| 22 | S | 28.9 | Very low | 50.6 | Low | 71 Ų | 71 | 93.5 Ų | 93.5 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | trans | -86.8 | 6.8 | -177.2 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | T18 D19 P20 | T18-S22 WeakPolarHBondContact CB-OG 3.35Å; D19-S22 WeakPolarHBondContact O-CB 3.39Å; D19-S22 PolarHBondContact O-N 3.01Å; D19-S22 PolarHBondContact O-OG 3.2Å; P20-S22 VanDerWaalsContact C-N 3.35Å | ||
| 23 | A | 35.5 | Very low | 53.7 | Low | 36 Ų | 36 | 89.4 Ų | 89.4 | 30% | 0.298 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -77.4 | 134.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S21 Q25 | S21-A23 VanDerWaalsContact C-N 3.31Å; S21-A23 PolarHBondContact O-N 3.12Å; A23-Q25 PolarHBondContact O-N 3.46Å |
| 24 | P | 47.2 | Very low | 57.1 | Low | 105 Ų | 105 | 80.7 Ų | 80.7 | 68% | 0.682 | 48% | 0.478 | S | S | * | . | trans | -62.6 | 112.9 | -171.1 | 22.4 | -31.6 | 0 | 0 | 0 | 110.4 | I26 | P24-I26 PolarHBondContact O-N 2.68Š| ||
| 25 | Q | 62 | Low | 60.4 | Low | 136 Ų | 136 | 77 Ų | 77 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | trans | -65.9 | 130.5 | 169.8 | -65.4 | -156.7 | -8.9 | 0 | 0 | 108.8 | A23 F27 | A23-Q25 PolarHBondContact O-N 3.46Å; Q25-F27 PolarHBondContact O-N 2.84Å; Q25-F27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | I | 73.6 | Confident | 63.6 | Low | 77 Ų | 77 | 75.1 Ų | 75.1 | 40% | 0.395 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -54 | -35.1 | 179.8 | -58.3 | 174.4 | 0 | 0 | 0 | 110.7 | P24 | P24-I26 PolarHBondContact O-N 2.68Š|
| 27 | F | 85.3 | Confident | 67 | Low | 37 Ų | 37 | 70.7 Ų | 70.7 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | trans | -131.4 | 87.7 | 178.3 | -58.2 | -50.6 | 0 | 0 | 0 | 110.9 | Q25 L29 N30 R120 R144 P146 | Q25-F27 PolarHBondContact O-N 2.84Å; Q25-F27 VanDerWaalsContact O-N 3.11Å; F27-L29 PolarHBondContact O-N 3.37Å; F27-N30 HydrophobicContact CB-CB 3.65Å; F27-N30 VanDerWaalsContact O-CB 3.26Å; F27-N30 WeakPolarHBondContact O-CB 3.33Å; F27-N30 PolarHBondContact O-N 2.86Å; F27-R120 HydrophobicContact CE2-CG 4.08Å; F27-R120 HydrophobicContact CZ-CG 3.97Å; F27-R144 HydrophobicContact CD2-CB 4.36Å; F27-R144 WeakPolarHBondContact CE2-O 3.21Å; F27-P146 HydrophobicContact CD1-CB 4.24Å; F27-P146 HydrophobicContact CD1-CG 3.71Å; F27-P146 HydrophobicContact CE1-CG 3.86Å | ||
| 28 | P | 85.1 | Confident | 70.4 | Confident | 105 Ų | 105 | 64.5 Ų | 64.5 | 68% | 0.682 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -24.1 | -175.2 | 26.2 | -35.1 | 0 | 0 | 0 | 113.5 | ||
| 29 | L | 91.4 | Very high | 73.9 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 52% | 0.518 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1 | 177.8 | -66.2 | 173.1 | 0 | 0 | 0 | 113.7 | F27 P146 L147 R173 | F27-L29 PolarHBondContact O-N 3.37Å; L29-P146 CarbonylContact C-O 3.55Å; L29-L147 HydrophobicContact CB-CD2 4.14Å; L29-L147 HydrophobicContact CD1-CD2 4.48Å; L29-R173 PolarHBondContact O-NE 3.18Å; L29-R173 PolarHBondContact O-NH1 2.87Å |
| 30 | N | 94.5 | Very high | 77.1 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.107 | 36% | 0.362 | C | S | . | . | trans | -70.7 | 138.2 | 179.6 | 178.7 | -83.5 | 0 | 0 | 0 | 110 | F27 G32 T145 P146 F148 T149 | F27-N30 HydrophobicContact CB-CB 3.65Å; F27-N30 VanDerWaalsContact O-CB 3.26Å; F27-N30 WeakPolarHBondContact O-CB 3.33Å; F27-N30 PolarHBondContact O-N 2.86Å; N30-G32 VanDerWaalsContact C-N 3.29Å; N30-G32 PolarHBondContact O-N 2.97Å; N30-G32 VanDerWaalsContact OD1-CA 3.31Å; N30-G32 WeakPolarHBondContact OD1-CA 3.39Å; N30-G32 PolarHBondContact OD1-N 3.03Å; N30-T145 WeakPolarHBondContact CB-O 3.29Å; N30-T145 PolarHBondContact ND2-O 2.74Å; N30-P146 PolarHBondContact N-O 2.77Å; N30-F148 PolarHBondContact ND2-O 3.13Å; N30-F148 VanDerWaalsContact ND2-O 3.1Å; N30-T149 PolarHBondContact ND2-OG1 3.04Å; N30-T149 PolarHBondContact OD1-OG1 3.43Å | ||
| 31 | P | 95.1 | Very high | 80.3 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.032 | 32% | 0.322 | C | S | . | . | trans | -79 | -5.5 | -178.6 | 33.1 | -37.8 | 0 | 0 | 0 | 114.3 | L171 D179 R205 | P31-L171 HydrophobicContact CB-CD2 3.79Å; P31-L171 HydrophobicContact CB-CG 3.89Å; P31-L171 HydrophobicContact CG-CB 4.4Å; P31-L171 HydrophobicContact CG-CD2 4.22Å; P31-L171 HydrophobicContact CG-CG 3.95Å; P31-L171 WeakPolarHBondContact CG-O 3.29Å; P31-D179 HydrophobicContact CB-CB 4.04Å; P31-R205 PolarHBondContact O-NH2 3.26Å | ||
| 32 | G | 95 | Very high | 83.4 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 19% | 0.186 | 32% | 0.316 | C | S | . | . | trans | 77.8 | -160.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N30 T149 | N30-G32 VanDerWaalsContact C-N 3.29Å; N30-G32 PolarHBondContact O-N 2.97Å; N30-G32 VanDerWaalsContact OD1-CA 3.31Å; N30-G32 WeakPolarHBondContact OD1-CA 3.39Å; N30-G32 PolarHBondContact OD1-N 3.03Å; G32-T149 WeakPolarHBondContact O-CB 3.34Å; G32-T149 PolarHBondContact O-OG1 3.06Å | ||
| 33 | L | 95.7 | Very high | 86.6 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | trans | -87.7 | 155.7 | 178.3 | -65.7 | 165.1 | 0 | 0 | 0 | 110.9 | E35 D36 E142 T149 | L33-E35 PolarHBondContact O-N 3.01Å; L33-D36 PolarHBondContact O-N 3.37Å; L33-E142 HydrophobicContact CD2-CB 4.38Å; L33-E142 HydrophobicContact CD2-CG 3.91Å; L33-T149 HydrophobicContact CD2-CG2 3.61Å; L33-T149 HydrophobicContact CG-CG2 4.4Å | ||
| 34 | I | 96 | Very high | 89.6 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -62.4 | -33.7 | 173.6 | -153.7 | 163.3 | 0 | 0 | 0 | 111.5 | D36 I37 E183 A203 | I34-D36 PolarHBondContact O-N 3.2Å; I34-I37 WeakPolarHBondContact O-CB 3.2Å; I34-I37 WeakPolarHBondContact O-CG2 3.36Å; I34-I37 PolarHBondContact O-N 2.91Å; I34-E183 HydrophobicContact CD1-CB 3.86Å; I34-E183 HydrophobicContact CG2-CB 4.5Å; I34-A203 HydrophobicContact CD1-CB 3.43Å; I34-A203 VanDerWaalsContact CD1-CB 3.43Å; I34-A203 HydrophobicContact CG1-CB 3.61Å |
| 35 | E | 92.9 | Very high | 92 | Very high | 114 Ų | 114 | 55 Ų | 55 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -62.1 | -27.2 | 178.9 | -62.8 | 176 | -167.7 | 0 | 0 | 112.3 | L33 I37 | L33-E35 PolarHBondContact O-N 3.01Å; E35-I37 VanDerWaalsContact C-N 3.33Å |
| 36 | D | 95.4 | Very high | 93.7 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -87.8 | 1.7 | 178.9 | -70.3 | -47.4 | 0 | 0 | 0 | 112.8 | L33 I34 H38 K39 | L33-D36 PolarHBondContact O-N 3.37Å; I34-D36 PolarHBondContact O-N 3.2Å; D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 2.79Å; D36-K39 HydrophobicContact CB-CB 4.33Å; D36-K39 HydrophobicContact CB-CD 4.24Å; D36-K39 WeakPolarHBondContact O-CB 3.1Å; D36-K39 PolarHBondContact O-N 2.78Å; D36-K39 WeakPolarHBondContact OD1-CD 3.38Å; D36-K39 IonicContact OD1-NZ 3.49Å; D36-K39 PolarHBondContact OD1-NZ 2.8Å |
| 37 | I | 96.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -33.4 | -170.8 | -157.1 | 176.6 | 0 | 0 | 0 | 113.1 | I34 E35 L171 A203 R205 S213 N215 | I34-I37 WeakPolarHBondContact O-CB 3.2Å; I34-I37 WeakPolarHBondContact O-CG2 3.36Å; I34-I37 PolarHBondContact O-N 2.91Å; E35-I37 VanDerWaalsContact C-N 3.33Å; I37-L171 HydrophobicContact CD1-CD1 4.49Å; I37-A203 HydrophobicContact CD1-CB 3.61Å; I37-R205 HydrophobicContact CD1-CB 3.93Å; I37-R205 HydrophobicContact CG1-CB 3.74Å; I37-R205 HydrophobicContact CG1-CG 4.39Å; I37-S213 WeakPolarHBondContact O-CB 3.48Å; I37-S213 PolarHBondContact O-OG 2.96Å; I37-N215 VanDerWaalsContact CG2-OD1 3.23Å; I37-N215 WeakPolarHBondContact CG2-OD1 3.4Å |
| 38 | H | 97 | Very high | 95.1 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1.7 | 177.2 | -62.6 | -67.5 | 0 | 0 | 0 | 113.5 | D36 K40 C41 K42 N215 T224 | D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 2.79Å; H38-K40 VanDerWaalsContact C-N 3.33Å; H38-K40 PolarHBondContact O-N 3.18Å; H38-C41 PolarHBondContact O-N 3.07Å; H38-K42 PolarHBondContact O-N 2.76Å; H38-N215 PolarHBondContact NE2-OD1 3.46Å; H38-T224 HydrophobicContact CB-CG2 4.15Å; H38-T224 WeakPolarHBondContact ND1-CG2 3.28Å; H38-T224 PolarHBondContact ND1-OG1 2.8Å |
| 39 | K | 96.2 | Very high | 95.5 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.4 | -43.8 | -168.7 | -178 | 170.3 | -176.1 | 170.3 | 0 | 113.6 | D36 C41 K42 D43 | D36-K39 HydrophobicContact CB-CB 4.33Å; D36-K39 HydrophobicContact CB-CD 4.24Å; D36-K39 WeakPolarHBondContact O-CB 3.1Å; D36-K39 PolarHBondContact O-N 2.78Å; D36-K39 WeakPolarHBondContact OD1-CD 3.38Å; D36-K39 IonicContact OD1-NZ 3.49Å; D36-K39 PolarHBondContact OD1-NZ 2.8Å; K39-C41 VanDerWaalsContact C-N 3.28Å; K39-C41 PolarHBondContact O-N 2.89Å; K39-K42 PolarHBondContact O-N 3.5Å; K39-D43 WeakPolarHBondContact CG-OD2 3.5Å; K39-D43 WeakPolarHBondContact O-CB 3.26Å; K39-D43 VanDerWaalsContact O-CG 3.22Å; K39-D43 PolarHBondContact O-N 3.09Å |
| 40 | K | 95.4 | Very high | 95.5 | Very high | 97 Ų | 97 | 45.7 Ų | 45.7 | 42% | 0.422 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55.9 | -42.3 | 178.2 | -71.3 | -174.7 | 177.6 | 176.1 | 0 | 112.5 | H38 F226 | H38-K40 VanDerWaalsContact C-N 3.33Å; H38-K40 PolarHBondContact O-N 3.18Å; K40-F226 HydrophobicContact CB-CB 4.16Å; K40-F226 HydrophobicContact CB-CD1 3.92Å; K40-F226 HydrophobicContact CB-CD2 4.12Å; K40-F226 HydrophobicContact CB-CE1 4.35Å; K40-F226 HydrophobicContact CB-CG 3.78Å; K40-F226 HydrophobicContact CD-CD1 4.02Å; K40-F226 HydrophobicContact CD-CE1 4.21Å; K40-F226 WeakPolarHBondContact O-CD2 3.5Å; K40-F226 WeakPolarHBondContact O-CE2 3.34Å |
| 41 | C | 97.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.5 | -48.5 | 176.9 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | H38 K39 D43 V44 Y45 T224 F226 G236 V237 | H38-C41 PolarHBondContact O-N 3.07Å; K39-C41 VanDerWaalsContact C-N 3.28Å; K39-C41 PolarHBondContact O-N 2.89Å; C41-D43 VanDerWaalsContact C-N 3.28Å; C41-D43 PolarHBondContact O-N 3.17Å; C41-V44 WeakPolarHBondContact O-CB 3.25Å; C41-V44 PolarHBondContact O-N 2.94Å; C41-Y45 WeakPolarHBondContact O-CD2 3.39Å; C41-T224 HydrophobicContact CB-CG2 4.14Å; C41-F226 HydrophobicContact CB-CB 4.25Å; C41-G236 VanDerWaalsContact SG-CA 3.58Å; C41-V237 PolarHBondContact SG-O 2.82Å |
| 42 | K | 96.2 | Very high | 95.6 | Very high | 137 Ų | 137 | 47.2 Ų | 47.2 | 60% | 0.596 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -56.2 | -39 | -178.7 | -170.8 | 179.5 | 179.3 | -179.4 | 0 | 113.2 | H38 K39 V44 Y45 | H38-K42 PolarHBondContact O-N 2.76Å; K39-K42 PolarHBondContact O-N 3.5Å; K42-V44 PolarHBondContact O-N 2.86Å; K42-Y45 PolarHBondContact O-N 2.99Å; K42-Y45 VanDerWaalsContact O-N 3.12Å |
| 43 | D | 95.9 | Very high | 95.6 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14.2 | -179.3 | -69.7 | -14.1 | 0 | 0 | 0 | 113.6 | K39 C41 Q255 R266 | K39-D43 WeakPolarHBondContact CG-OD2 3.5Å; K39-D43 WeakPolarHBondContact O-CB 3.26Å; K39-D43 VanDerWaalsContact O-CG 3.22Å; K39-D43 PolarHBondContact O-N 3.09Å; C41-D43 VanDerWaalsContact C-N 3.28Å; C41-D43 PolarHBondContact O-N 3.17Å; D43-Q255 PolarHBondContact O-OE1 2.78Å; D43-R266 PolarHBondContact O-NE 3.12Å |
| 44 | V | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -27.9 | 173.8 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | C41 K42 F226 Q234 A253 Q255 R266 | C41-V44 WeakPolarHBondContact O-CB 3.25Å; C41-V44 PolarHBondContact O-N 2.94Å; K42-V44 PolarHBondContact O-N 2.86Å; V44-F226 HydrophobicContact CG2-CD2 3.71Å; V44-F226 HydrophobicContact CG2-CE2 3.68Å; V44-Q234 HydrophobicContact CG1-CG 4.47Å; V44-Q234 HydrophobicContact CG2-CG 4.07Å; V44-A253 HydrophobicContact CG1-CB 4.07Å; V44-Q255 HydrophobicContact CG1-CB 4.03Å; V44-R266 WeakPolarHBondContact O-CD 3.5Å |
| 45 | Y | 97.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -73.7 | 143.5 | -174.3 | -77.2 | -109.7 | 0 | 0 | 0 | 111.6 | C41 K42 E238 S251 A253 | C41-Y45 WeakPolarHBondContact O-CD2 3.39Å; K42-Y45 PolarHBondContact O-N 2.99Å; K42-Y45 VanDerWaalsContact O-N 3.12Å; Y45-E238 WeakPolarHBondContact OH-CB 3.36Å; Y45-E238 PolarHBondContact OH-N 2.97Å; Y45-S251 VanDerWaalsContact CE1-OG 3.31Å; Y45-S251 WeakPolarHBondContact CE1-OG 3.2Å; Y45-S251 PolarHBondContact OH-O 3.25Å; Y45-S251 PolarHBondContact OH-OG 3.29Å; Y45-A253 HydrophobicContact CD1-CB 3.8Å; Y45-A253 HydrophobicContact CD2-CB 3.61Å; Y45-A253 HydrophobicContact CE1-CB 3.77Å; Y45-A253 HydrophobicContact CE2-CB 3.55Å; Y45-A253 HydrophobicContact CG-CB 3.72Å |
| 46 | P | 97.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | trans | -69.5 | 135.1 | 176 | 29.4 | -34.2 | 0 | 0 | 0 | 111 | C48 R266 M278 | P46-C48 PolarHBondContact O-N 3.24Å; P46-R266 HydrophobicContact CB-CB 3.89Å; P46-M278 HydrophobicContact CB-CB 3.69Å | ||
| 47 | T | 94.5 | Very high | 95.6 | Very high | 113 Ų | 113 | 51.4 Ų | 51.4 | 69% | 0.693 | 27% | 0.267 | S | S | * | . | trans | -96.5 | 82.5 | 170.1 | -55 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 48 | C | 94.2 | Very high | 95.4 | Very high | 35 Ų | 35 | 55.8 Ų | 55.8 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | trans | -74.5 | 151.9 | -177.7 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | P46 A277 G294 V295 | P46-C48 PolarHBondContact O-N 3.24Å; C48-A277 PolarHBondContact SG-O 3.11Å; C48-A277 VanDerWaalsContact SG-O 3.42Å; C48-G294 PolarHBondContact SG-O 3.44Å; C48-V295 HydrophobicContact CB-CG2 3.34Å | ||
| 49 | F | 93.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | trans | -135.6 | 170.9 | 170.9 | 60.6 | -84.5 | 0 | 0 | 0 | 110.1 | K53 I291 S293 G306 | F49-K53 HydrophobicContact CD2-CB 4.09Å; F49-K53 HydrophobicContact CE2-CB 3.77Å; F49-K53 HydrophobicContact CZ-CB 4.31Å; F49-I291 HydrophobicContact CE1-CB 4.39Å; F49-I291 HydrophobicContact CE1-CG2 3.74Å; F49-I291 HydrophobicContact CZ-CB 4.44Å; F49-I291 HydrophobicContact CZ-CG2 4.2Å; F49-S293 WeakPolarHBondContact CD1-OG 3.46Å; F49-S293 PolarHBondContact N-OG 3.02Å; F49-S293 VanDerWaalsContact N-OG 3.14Å; F49-S293 PolarHBondContact O-OG 2.91Å; F49-G306 VanDerWaalsContact O-CA 3.32Å; F49-G306 WeakPolarHBondContact O-CA 3.3Å; F49-G306 PolarHBondContact O-N 3.14Å | ||
| 50 | D | 92.8 | Very high | 95.1 | Very high | 49 Ų | 49 | 57.2 Ų | 57.2 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | trans | -121.7 | 137.7 | -176.5 | -169.1 | 16.6 | 0 | 0 | 0 | 110.2 | P74 R304 V305 | D50-P74 VanDerWaalsContact OD2-CG 3.32Å; D50-P74 WeakPolarHBondContact OD2-CG 3.3Å; D50-R304 HydrophobicContact CB-CB 4.2Å; D50-V305 PolarHBondContact OD1-N 3.02Å | ||
| 51 | G | 94.8 | Very high | 95 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.9 | -151.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M72 V305 G306 L307 | G51-M72 CarbonylContact C-O 3.59Å; G51-M72 VanDerWaalsContact CA-O 3.28Å; G51-M72 WeakPolarHBondContact CA-O 3.3Å; G51-V305 PolarHBondContact N-O 3.11Å; G51-G306 CarbonylContact O-C 3.56Å; G51-G306 WeakPolarHBondContact O-CA 3.41Å; G51-L307 PolarHBondContact O-N 2.92Å |
| 52 | A | 95.9 | Very high | 94.7 | Very high | 35 Ų | 35 | 60.4 Ų | 60.4 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M72 L307 | A52-M72 HydrophobicContact CB-CB 4.28Å; A52-M72 HydrophobicContact CB-CE 3.78Å; A52-M72 PolarHBondContact N-O 2.84Å; A52-M72 PolarHBondContact O-N 2.65Å; A52-L307 CarbonylContact C-O 3.59Å; A52-L307 WeakPolarHBondContact CA-O 3.46Å |
| 53 | K | 94.8 | Very high | 94.6 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 37% | 0.365 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.4 | 175.1 | -169.6 | 177 | -179.1 | -180 | 0 | 110.4 | F49 L70 L307 G308 F309 | F49-K53 HydrophobicContact CD2-CB 4.09Å; F49-K53 HydrophobicContact CE2-CB 3.77Å; F49-K53 HydrophobicContact CZ-CB 4.31Å; K53-L70 CarbonylContact C-O 3.59Å; K53-L70 WeakPolarHBondContact CA-O 3.42Å; K53-L307 PolarHBondContact N-O 3.08Å; K53-G308 CarbonylContact O-C 3.43Å; K53-G308 WeakPolarHBondContact O-CA 3.42Å; K53-F309 PolarHBondContact O-N 2.82Å |
| 54 | L | 95.6 | Very high | 94.6 | Very high | 62 Ų | 62 | 56 Ų | 56 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.7 | 171 | 175.1 | 67 | 0 | 0 | 0 | 108.4 | I56 T69 L70 F309 | L54-I56 HydrophobicContact CD1-CG1 4.26Å; L54-I56 HydrophobicContact CD2-CD1 4.2Å; L54-I56 HydrophobicContact CD2-CG1 4.49Å; L54-I56 HydrophobicContact CG-CD1 4.37Å; L54-I56 HydrophobicContact CG-CG1 4.13Å; L54-T69 CarbonylContact O-C 3.57Å; L54-T69 WeakPolarHBondContact O-CA 3.33Å; L54-L70 HydrophobicContact CB-CB 4.24Å; L54-L70 PolarHBondContact N-O 2.84Å; L54-L70 PolarHBondContact O-N 2.84Å; L54-F309 CarbonylContact C-O 3.55Å; L54-F309 WeakPolarHBondContact CA-O 3.44Å; L54-F309 HydrophobicContact CD1-CB 3.87Å |
| 55 | L | 95.4 | Very high | 94.5 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 18% | 0.183 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 116.8 | 177.5 | -174.4 | 72.5 | 0 | 0 | 0 | 108.5 | T67 H68 T69 F309 V310 L311 | L55-T67 HydrophobicContact CD1-CG2 3.49Å; L55-T67 VanDerWaalsContact CD1-CG2 3.49Å; L55-T67 HydrophobicContact CG-CG2 4.47Å; L55-H68 CarbonylContact C-O 3.54Å; L55-H68 WeakPolarHBondContact CA-O 3.13Å; L55-T69 HydrophobicContact CD1-CG2 4.26Å; L55-T69 WeakPolarHBondContact CD1-OG1 3.33Å; L55-F309 PolarHBondContact N-O 3.25Å; L55-V310 HydrophobicContact CB-CB 4.46Å; L55-V310 HydrophobicContact CB-CG1 4.27Å; L55-V310 HydrophobicContact CB-CG2 4.13Å; L55-V310 HydrophobicContact CD2-CG1 3.92Å; L55-V310 HydrophobicContact CD2-CG2 4.17Å; L55-V310 HydrophobicContact CG-CG1 4.33Å; L55-V310 CarbonylContact O-C 3.51Å; L55-V310 VanDerWaalsContact O-CA 3.28Å; L55-V310 WeakPolarHBondContact O-CA 3.48Å; L55-L311 PolarHBondContact O-N 3.1Å |
| 56 | I | 95.3 | Very high | 94.5 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.5 | 175.8 | -52.6 | 172.3 | 0 | 0 | 0 | 107.4 | L54 T67 H68 L311 | L54-I56 HydrophobicContact CD1-CG1 4.26Å; L54-I56 HydrophobicContact CD2-CD1 4.2Å; L54-I56 HydrophobicContact CD2-CG1 4.49Å; L54-I56 HydrophobicContact CG-CD1 4.37Å; L54-I56 HydrophobicContact CG-CG1 4.13Å; I56-T67 CarbonylContact O-C 3.53Å; I56-T67 WeakPolarHBondContact O-CA 3.32Å; I56-H68 HydrophobicContact CB-CB 4.18Å; I56-H68 PolarHBondContact N-O 2.8Å; I56-H68 PolarHBondContact O-N 2.69Å; I56-L311 WeakPolarHBondContact CA-O 3.32Å; I56-L311 HydrophobicContact CG1-CB 4.48Å; I56-L311 HydrophobicContact CG2-CD2 4.4Å |
| 57 | N | 93.3 | Very high | 94.4 | Very high | 53 Ų | 53 | 60.1 Ų | 60.1 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.2 | 174.7 | -69 | -36.4 | 0 | 0 | 0 | 108.7 | T67 L311 G313 | N57-T67 WeakPolarHBondContact OD1-CB 3.27Å; N57-T67 WeakPolarHBondContact OD1-CG2 3.38Å; N57-T67 PolarHBondContact OD1-OG1 2.89Å; N57-L311 PolarHBondContact N-O 2.84Å; N57-G313 PolarHBondContact O-N 2.76Å |
| 58 | K | 94 | Very high | 94.5 | Very high | 96 Ų | 96 | 57.6 Ų | 57.6 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.8 | 178.7 | -173.4 | 69.2 | -162.9 | 156.2 | 0 | 111.2 | L60 V66 G313 | K58-L60 HydrophobicContact CG-CD2 3.88Å; K58-L60 PolarHBondContact O-N 2.82Å; K58-V66 PolarHBondContact N-O 3.08Å; K58-V66 PolarHBondContact O-N 2.83Å; K58-G313 CarbonylContact C-O 3.56Å; K58-G313 VanDerWaalsContact CA-O 3.26Å; K58-G313 WeakPolarHBondContact CA-O 3.42Å; K58-G313 WeakPolarHBondContact CD-O 3.46Å; K58-G313 PolarHBondContact NZ-OXT 3.13Å |
| 59 | G | 93.2 | Very high | 94.6 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 32% | 0.32 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G313 | G59-G313 PolarHBondContact N-O 2.8Å |
| 60 | L | 93.1 | Very high | 94.7 | Very high | 113 Ų | 113 | 58.3 Ų | 58.3 | 59% | 0.592 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -94.3 | -28.4 | 174 | -56.9 | -172.6 | 0 | 0 | 0 | 111.8 | K58 F64 V66 | K58-L60 HydrophobicContact CG-CD2 3.88Å; K58-L60 PolarHBondContact O-N 2.82Å; L60-F64 HydrophobicContact CB-CD1 4.07Å; L60-F64 HydrophobicContact CD1-CD1 3.81Å; L60-F64 HydrophobicContact CD1-CE1 3.83Å; L60-F64 HydrophobicContact CG-CD1 4.2Å; L60-F64 PolarHBondContact N-O 2.99Å; L60-V66 HydrophobicContact CD1-CG2 3.7Å; L60-V66 HydrophobicContact CG-CG2 4.13Å |
| 61 | S | 93.3 | Very high | 94.8 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -149.6 | 178.3 | 171 | 76.1 | 0 | 0 | 0 | 0 | 110.4 | H63 F64 | S61-H63 PolarHBondContact O-N 2.81Å; S61-H63 PolarHBondContact OG-N 2.8Å; S61-F64 PolarHBondContact N-O 2.84Å; S61-F64 VanDerWaalsContact N-O 3.12Å; S61-F64 PolarHBondContact O-N 2.73Å; S61-F64 WeakPolarHBondContact OG-CB 3.4Å; S61-F64 PolarHBondContact OG-N 2.8Å |
| 62 | S | 90.3 | Very high | 94.8 | Very high | 103 Ų | 103 | 61 Ų | 61 | 72% | 0.72 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -61.9 | -19.7 | 172.7 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 63 | H | 94.1 | Very high | 94.5 | Very high | 62 Ų | 62 | 60 Ų | 60 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -111.3 | -17 | -176.2 | -64.1 | -64.8 | 0 | 0 | 0 | 112.9 | S61 Y85 V86 | S61-H63 PolarHBondContact O-N 2.81Å; S61-H63 PolarHBondContact OG-N 2.8Å; H63-Y85 HydrophobicContact CB-CD2 4.1Å; H63-Y85 HydrophobicContact CB-CE2 3.76Å; H63-Y85 CarbonylContact O-C 3.46Å; H63-Y85 WeakPolarHBondContact O-CA 3.44Å; H63-V86 VanDerWaalsContact CB-O 3.25Å; H63-V86 WeakPolarHBondContact CB-O 3.32Å; H63-V86 PolarHBondContact ND1-O 3.38Å; H63-V86 PolarHBondContact O-N 2.81Å |
| 64 | F | 96.4 | Very high | 94 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.3 | -170.5 | -166 | -102 | 0 | 0 | 0 | 111.6 | L60 S61 V66 A83 M84 Y85 | L60-F64 HydrophobicContact CB-CD1 4.07Å; L60-F64 HydrophobicContact CD1-CD1 3.81Å; L60-F64 HydrophobicContact CD1-CE1 3.83Å; L60-F64 HydrophobicContact CG-CD1 4.2Å; L60-F64 PolarHBondContact N-O 2.99Å; S61-F64 PolarHBondContact N-O 2.84Å; S61-F64 VanDerWaalsContact N-O 3.12Å; S61-F64 PolarHBondContact O-N 2.73Å; S61-F64 WeakPolarHBondContact OG-CB 3.4Å; S61-F64 PolarHBondContact OG-N 2.8Å; F64-V66 HydrophobicContact CD1-CG2 4.06Å; F64-V66 HydrophobicContact CE1-CG2 3.41Å; F64-V66 VanDerWaalsContact CE1-CG2 3.41Å; F64-V66 HydrophobicContact CZ-CG2 4.13Å; F64-A83 HydrophobicContact CE2-CB 4.22Å; F64-A83 HydrophobicContact CZ-CB 3.94Å; F64-M84 WeakPolarHBondContact CA-O 3.34Å; F64-Y85 HydrophobicContact CD2-CD2 4.34Å |
| 65 | Q | 95.7 | Very high | 93.3 | Very high | 94 Ų | 94 | 65.4 Ų | 65.4 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.4 | 178.3 | -60.1 | -176.3 | 0.7 | 0 | 0 | 109.9 | A83 M84 | Q65-A83 WeakPolarHBondContact O-CA 3.33Å; Q65-M84 HydrophobicContact CB-CB 4.38Å; Q65-M84 PolarHBondContact N-O 3.1Å; Q65-M84 PolarHBondContact O-N 3.23Å |
| 66 | V | 97 | Very high | 92.6 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.5 | 178.5 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | K58 L60 F64 F81 G82 | K58-V66 PolarHBondContact N-O 3.08Å; K58-V66 PolarHBondContact O-N 2.83Å; L60-V66 HydrophobicContact CD1-CG2 3.7Å; L60-V66 HydrophobicContact CG-CG2 4.13Å; F64-V66 HydrophobicContact CD1-CG2 4.06Å; F64-V66 HydrophobicContact CE1-CG2 3.41Å; F64-V66 VanDerWaalsContact CE1-CG2 3.41Å; F64-V66 HydrophobicContact CZ-CG2 4.13Å; V66-F81 HydrophobicContact CG1-CD2 4.05Å; V66-F81 HydrophobicContact CG1-CE2 3.21Å; V66-F81 HydrophobicContact CG1-CZ 3.63Å; V66-F81 HydrophobicContact CG2-CZ 4.31Å; V66-G82 CarbonylContact C-O 3.54Å; V66-G82 WeakPolarHBondContact CA-O 3.11Å |
| 67 | T | 96.5 | Very high | 92.3 | Very high | 34 Ų | 34 | 68.7 Ų | 68.7 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.4 | -178.8 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | L55 I56 N57 G82 | L55-T67 HydrophobicContact CD1-CG2 3.49Å; L55-T67 VanDerWaalsContact CD1-CG2 3.49Å; L55-T67 HydrophobicContact CG-CG2 4.47Å; I56-T67 CarbonylContact O-C 3.53Å; I56-T67 WeakPolarHBondContact O-CA 3.32Å; N57-T67 WeakPolarHBondContact OD1-CB 3.27Å; N57-T67 WeakPolarHBondContact OD1-CG2 3.38Å; N57-T67 PolarHBondContact OD1-OG1 2.89Å; T67-G82 PolarHBondContact N-O 2.83Å; T67-G82 PolarHBondContact O-N 3.19Å |
| 68 | H | 96.7 | Very high | 92.4 | Very high | 61 Ų | 61 | 67.6 Ų | 67.6 | 28% | 0.282 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.4 | 169.4 | -59.9 | -94.4 | 0 | 0 | 0 | 108.3 | L55 I56 Y79 F81 | L55-H68 CarbonylContact C-O 3.54Å; L55-H68 WeakPolarHBondContact CA-O 3.13Å; I56-H68 HydrophobicContact CB-CB 4.18Å; I56-H68 PolarHBondContact N-O 2.8Å; I56-H68 PolarHBondContact O-N 2.69Å; H68-Y79 HydrophobicContact CB-CE2 4.03Å; H68-Y79 PolarHBondContact CE1-OH 2.78Å; H68-Y79 AromaticContact ND1-CE2 3.73Å; H68-Y79 AromaticContact ND1-CZ 3.64Å; H68-Y79 PolarHBondContact ND1-OH 3.21Å; H68-F81 AromaticContact CE1-CD2 3.67Å; H68-F81 AromaticContact CE1-CE2 3.8Å; H68-F81 AromaticContact ND1-CD2 3.93Å |
| 69 | T | 95.7 | Very high | 92.5 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 112.9 | 175.4 | -53 | 0 | 0 | 0 | 0 | 109.2 | L54 L55 Y79 R80 | L54-T69 CarbonylContact O-C 3.57Å; L54-T69 WeakPolarHBondContact O-CA 3.33Å; L55-T69 HydrophobicContact CD1-CG2 4.26Å; L55-T69 WeakPolarHBondContact CD1-OG1 3.33Å; T69-Y79 CarbonylContact O-C 3.46Å; T69-Y79 WeakPolarHBondContact O-CA 3.46Å; T69-R80 PolarHBondContact N-O 2.54Å; T69-R80 PolarHBondContact O-N 3.04Å |
| 70 | L | 95.8 | Very high | 92.6 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.1 | 168 | -179.8 | 70.6 | 0 | 0 | 0 | 108.2 | K53 L54 M72 | K53-L70 CarbonylContact C-O 3.59Å; K53-L70 WeakPolarHBondContact CA-O 3.42Å; L54-L70 HydrophobicContact CB-CB 4.24Å; L54-L70 PolarHBondContact N-O 2.84Å; L54-L70 PolarHBondContact O-N 2.84Å; L70-M72 HydrophobicContact CD2-CE 4.04Å; L70-M72 HydrophobicContact CD2-SD 4.16Å; L70-M72 HydrophobicContact CG-CG 4.28Å |
| 71 | A | 94.4 | Very high | 92.8 | Very high | 34 Ų | 34 | 69.7 Ų | 69.7 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | S77 G78 | A71-S77 CarbonylContact O-C 3.55Å; A71-S77 VanDerWaalsContact O-CA 3.24Å; A71-S77 WeakPolarHBondContact O-CA 3.36Å; A71-G78 PolarHBondContact N-O 3.06Å; A71-G78 PolarHBondContact O-N 2.81Å |
| 72 | M | 94.5 | Very high | 93 | Very high | 95 Ų | 95 | 67.3 Ų | 67.3 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 98.3 | 178.5 | -66.8 | 177.8 | -69.5 | 0 | 0 | 107.5 | G51 A52 L70 S77 | G51-M72 CarbonylContact C-O 3.59Å; G51-M72 VanDerWaalsContact CA-O 3.28Å; G51-M72 WeakPolarHBondContact CA-O 3.3Å; A52-M72 HydrophobicContact CB-CB 4.28Å; A52-M72 HydrophobicContact CB-CE 3.78Å; A52-M72 PolarHBondContact N-O 2.84Å; A52-M72 PolarHBondContact O-N 2.65Å; L70-M72 HydrophobicContact CD2-CE 4.04Å; L70-M72 HydrophobicContact CD2-SD 4.16Å; L70-M72 HydrophobicContact CG-CG 4.28Å; M72-S77 WeakPolarHBondContact CA-OG 3.26Å |
| 73 | G | 88.9 | Confident | 93.3 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 13% | 0.134 | 35% | 0.347 | C | S | . | . | trans | -143.6 | 164.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F75 A76 S77 | G73-F75 PolarHBondContact O-N 2.8Å; G73-A76 PolarHBondContact N-O 2.99Å; G73-S77 PolarHBondContact N-OG 3.31Å; G73-S77 PolarHBondContact O-OG 2.89Å | ||
| 74 | P | 84.2 | Confident | 93.5 | Very high | 93 Ų | 93 | 63.7 Ų | 63.7 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -62.2 | -29.5 | -175.4 | 22.4 | -31.8 | 0 | 0 | 0 | 113.4 | D50 | D50-P74 VanDerWaalsContact OD2-CG 3.32Å; D50-P74 WeakPolarHBondContact OD2-CG 3.3Å |
| 75 | F | 81.4 | Confident | 93.5 | Very high | 166 Ų | 166 | 64.9 Ų | 64.9 | 73% | 0.728 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -109.8 | -17.9 | -176.3 | -55.2 | -71.4 | 0 | 0 | 0 | 114.2 | G73 | G73-F75 PolarHBondContact O-N 2.8Š|
| 76 | A | 80.2 | Confident | 93.5 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 60% | 0.603 | 34% | 0.343 | S | S | * | . | trans | -152.9 | 96 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | G73 | G73-A76 PolarHBondContact N-O 2.99Š| ||
| 77 | S | 90.8 | Very high | 93.5 | Very high | 86 Ų | 86 | 62 Ų | 62 | 60% | 0.601 | 34% | 0.341 | S | S | * | . | trans | -111.2 | 136.9 | 170 | -67.4 | 0 | 0 | 0 | 0 | 109.2 | A71 M72 G73 | A71-S77 CarbonylContact O-C 3.55Å; A71-S77 VanDerWaalsContact O-CA 3.24Å; A71-S77 WeakPolarHBondContact O-CA 3.36Å; M72-S77 WeakPolarHBondContact CA-OG 3.26Å; G73-S77 PolarHBondContact N-OG 3.31Å; G73-S77 PolarHBondContact O-OG 2.89Å | ||
| 78 | G | 93.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | 159.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | A71 | A71-G78 PolarHBondContact N-O 3.06Å; A71-G78 PolarHBondContact O-N 2.81Å |
| 79 | Y | 95.8 | Very high | 93 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 32% | 0.318 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.5 | 170.9 | 168.3 | -96.1 | 0 | 0 | 0 | 109.4 | H68 T69 F81 V105 | H68-Y79 HydrophobicContact CB-CE2 4.03Å; H68-Y79 PolarHBondContact CE1-OH 2.78Å; H68-Y79 AromaticContact ND1-CE2 3.73Å; H68-Y79 AromaticContact ND1-CZ 3.64Å; H68-Y79 PolarHBondContact ND1-OH 3.21Å; T69-Y79 CarbonylContact O-C 3.46Å; T69-Y79 WeakPolarHBondContact O-CA 3.46Å; Y79-F81 HydrophobicContact CE1-CB 3.98Å; Y79-V105 HydrophobicContact CD1-CG1 3.94Å |
| 80 | R | 95.8 | Very high | 92.5 | Very high | 132 Ų | 132 | 74.8 Ų | 74.8 | 50% | 0.498 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.5 | 172.5 | -65.2 | -171.7 | 178 | 176.9 | 0.6 | 110.3 | T69 T103 D104 | T69-R80 PolarHBondContact N-O 2.54Å; T69-R80 PolarHBondContact O-N 3.04Å; R80-T103 CarbonylContact C-O 3.6Å; R80-T103 VanDerWaalsContact CA-O 3.28Å; R80-T103 WeakPolarHBondContact CA-O 3.38Å; R80-D104 HydrophobicContact CG-CB 4.05Å |
| 81 | F | 97.4 | Very high | 91.9 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 31% | 0.311 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.6 | 171.6 | 177.4 | -96.9 | 0 | 0 | 0 | 109 | V66 H68 Y79 A83 D102 T103 | V66-F81 HydrophobicContact CG1-CD2 4.05Å; V66-F81 HydrophobicContact CG1-CE2 3.21Å; V66-F81 HydrophobicContact CG1-CZ 3.63Å; V66-F81 HydrophobicContact CG2-CZ 4.31Å; H68-F81 AromaticContact CE1-CD2 3.67Å; H68-F81 AromaticContact CE1-CE2 3.8Å; H68-F81 AromaticContact ND1-CD2 3.93Å; Y79-F81 HydrophobicContact CE1-CB 3.98Å; F81-A83 HydrophobicContact CE1-CB 4.25Å; F81-D102 CarbonylContact O-C 3.45Å; F81-D102 VanDerWaalsContact O-CA 3.26Å; F81-D102 WeakPolarHBondContact O-CA 3.49Å; F81-T103 HydrophobicContact CB-CG2 4.05Å; F81-T103 HydrophobicContact CD1-CG2 4.27Å; F81-T103 PolarHBondContact N-O 3.36Å; F81-T103 PolarHBondContact O-N 2.9Å |
| 82 | G | 97.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 75.1 Ų | 75.1 | 11% | 0.113 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V66 T67 A101 | V66-G82 CarbonylContact C-O 3.54Å; V66-G82 WeakPolarHBondContact CA-O 3.11Å; T67-G82 PolarHBondContact N-O 2.83Å; T67-G82 PolarHBondContact O-N 3.19Å; G82-A101 CarbonylContact C-O 3.51Å; G82-A101 WeakPolarHBondContact CA-O 3.39Å |
| 83 | A | 97.4 | Very high | 90.6 | Very high | 26 Ų | 26 | 73.8 Ų | 73.8 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | F64 Q65 F81 L100 A101 | F64-A83 HydrophobicContact CE2-CB 4.22Å; F64-A83 HydrophobicContact CZ-CB 3.94Å; Q65-A83 WeakPolarHBondContact O-CA 3.33Å; F81-A83 HydrophobicContact CE1-CB 4.25Å; A83-L100 WeakPolarHBondContact O-CA 3.49Å; A83-A101 PolarHBondContact N-O 2.72Å; A83-A101 PolarHBondContact O-N 2.82Å |
| 84 | M | 97.1 | Very high | 90.7 | Very high | 64 Ų | 64 | 77.2 Ų | 77.2 | 32% | 0.315 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.9 | 176.8 | 178.8 | -174.3 | -59.5 | 0 | 0 | 108.9 | F64 Q65 V86 F99 L100 | F64-M84 WeakPolarHBondContact CA-O 3.34Å; Q65-M84 HydrophobicContact CB-CB 4.38Å; Q65-M84 PolarHBondContact N-O 3.1Å; Q65-M84 PolarHBondContact O-N 3.23Å; M84-V86 HydrophobicContact CG-CG2 4.23Å; M84-V86 HydrophobicContact SD-CG2 4.25Å; M84-F99 CarbonylContact C-O 3.49Å; M84-F99 VanDerWaalsContact CA-O 3.26Å; M84-F99 WeakPolarHBondContact CA-O 3.11Å; M84-L100 HydrophobicContact CB-CD2 3.86Å; M84-L100 HydrophobicContact CE-CD2 3.22Å; M84-L100 HydrophobicContact CG-CD2 3.46Å; M84-L100 VanDerWaalsContact CG-CD2 3.46Å; M84-L100 HydrophobicContact SD-CD2 3.93Å |
| 85 | Y | 97.4 | Very high | 91.1 | Very high | 93 Ų | 93 | 74.1 Ų | 74.1 | 37% | 0.365 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.7 | 168.4 | 176.5 | -93.7 | 0 | 0 | 0 | 110.3 | H63 F64 V98 F99 | H63-Y85 HydrophobicContact CB-CD2 4.1Å; H63-Y85 HydrophobicContact CB-CE2 3.76Å; H63-Y85 CarbonylContact O-C 3.46Å; H63-Y85 WeakPolarHBondContact O-CA 3.44Å; F64-Y85 HydrophobicContact CD2-CD2 4.34Å; Y85-V98 CarbonylContact O-C 3.53Å; Y85-V98 WeakPolarHBondContact O-CA 3.26Å; Y85-F99 AromaticContact CD1-CD2 3.85Å; Y85-F99 HydrophobicContact CD1-CD2 3.85Å; Y85-F99 HydrophobicContact CD1-CE2 4.39Å; Y85-F99 PolarHBondContact N-O 2.7Å; Y85-F99 PolarHBondContact O-N 2.84Å |
| 86 | V | 96.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 66.4 Ų | 66.4 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.9 | 174.9 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | H63 M84 V98 | H63-V86 VanDerWaalsContact CB-O 3.25Å; H63-V86 WeakPolarHBondContact CB-O 3.32Å; H63-V86 PolarHBondContact ND1-O 3.38Å; H63-V86 PolarHBondContact O-N 2.81Å; M84-V86 HydrophobicContact CG-CG2 4.23Å; M84-V86 HydrophobicContact SD-CG2 4.25Å; V86-V98 HydrophobicContact CG2-CG1 4.44Å |
| 87 | G | 95.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -170.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S95 F96 P97 | G87-S95 WeakPolarHBondContact O-CB 3.35Å; G87-F96 CarbonylContact C-O 3.38Å; G87-F96 WeakPolarHBondContact CA-O 3.22Å; G87-P97 PolarHBondContact N-O 3.25Å |
| 88 | T | 92.6 | Very high | 92.8 | Very high | 98 Ų | 98 | 61 Ų | 61 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -12 | -173.7 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | R90 F96 | T88-R90 PolarHBondContact O-N 2.8Å; T88-F96 PolarHBondContact N-O 2.83Å |
| 89 | Q | 90.4 | Very high | 93 | Very high | 99 Ų | 99 | 64.1 Ų | 64.1 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 112.2 | -178.8 | -61.4 | 178.2 | 3.5 | 0 | 0 | 109.3 | Y91 S95 F96 | Q89-Y91 HydrophobicContact CB-CE2 4.44Å; Q89-S95 CarbonylContact O-C 3.53Å; Q89-S95 WeakPolarHBondContact O-CA 3.34Å; Q89-F96 WeakPolarHBondContact CB-O 3.26Å; Q89-F96 PolarHBondContact N-O 2.85Å; Q89-F96 PolarHBondContact O-N 2.81Å |
| 90 | R | 86.4 | Confident | 93.1 | Very high | 199 Ų | 199 | 62.9 Ų | 62.9 | 75% | 0.751 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 132.2 | -176.6 | -69.5 | -172.9 | 175.3 | 178 | 0.5 | 111.6 | T88 E94 | T88-R90 PolarHBondContact O-N 2.8Å; R90-E94 WeakPolarHBondContact CA-O 3.35Å |
| 91 | Y | 83.4 | Confident | 93.1 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 102.9 | 169.3 | -71.9 | -90.9 | 0 | 0 | 0 | 107.5 | Q89 S93 E94 F96 Q116 D119 | Q89-Y91 HydrophobicContact CB-CE2 4.44Å; Y91-S93 PolarHBondContact O-N 3.36Å; Y91-E94 PolarHBondContact N-O 2.85Å; Y91-E94 PolarHBondContact O-N 2.79Å; Y91-F96 AromaticContact CD2-CD2 3.9Å; Y91-F96 HydrophobicContact CD2-CD2 3.9Å; Y91-Q116 HydrophobicContact CD1-CG 3.9Å; Y91-Q116 HydrophobicContact CD2-CB 3.7Å; Y91-Q116 HydrophobicContact CD2-CG 3.72Å; Y91-Q116 HydrophobicContact CE1-CG 4.24Å; Y91-Q116 HydrophobicContact CE2-CB 3.91Å; Y91-Q116 HydrophobicContact CE2-CG 4.06Å; Y91-Q116 WeakPolarHBondContact CE2-O 3.45Å; Y91-Q116 HydrophobicContact CG-CB 4.12Å; Y91-Q116 HydrophobicContact CG-CG 3.61Å; Y91-D119 WeakPolarHBondContact CD1-OD1 3.43Å |
| 92 | G | 80.1 | Confident | 93 | Very high | 51 Ų | 51 | 57.6 Ų | 57.6 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | -116.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 93 | S | 81.3 | Confident | 93 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -13.9 | -178.7 | 62.1 | 0 | 0 | 0 | 0 | 115 | Y91 | Y91-S93 PolarHBondContact O-N 3.36Š|
| 94 | E | 89.4 | Confident | 92.8 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 39% | 0.393 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 149 | -174.3 | -66.8 | 178.8 | 179.3 | 0 | 0 | 110.3 | R90 Y91 F96 R122 | R90-E94 WeakPolarHBondContact CA-O 3.35Å; Y91-E94 PolarHBondContact N-O 2.85Å; Y91-E94 PolarHBondContact O-N 2.79Å; E94-F96 HydrophobicContact CB-CD2 4.45Å; E94-F96 HydrophobicContact CB-CE2 3.54Å; E94-F96 HydrophobicContact CB-CZ 3.89Å; E94-F96 WeakPolarHBondContact OE2-CZ 3.16Å; E94-R122 IonicContact OE2-CZ 3.34Å; E94-R122 IonicContact OE2-NH1 3.25Å; E94-R122 PolarHBondContact OE2-NH1 2.83Å; E94-R122 IonicContact OE2-NH2 2.7Å; E94-R122 PolarHBondContact OE2-NH2 2.78Å |
| 95 | S | 93 | Very high | 92.6 | Very high | 28 Ų | 28 | 61.9 Ų | 61.9 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.9 | 178.6 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | G87 Q89 V98 | G87-S95 WeakPolarHBondContact O-CB 3.35Å; Q89-S95 CarbonylContact O-C 3.53Å; Q89-S95 WeakPolarHBondContact O-CA 3.34Å; S95-V98 WeakPolarHBondContact O-CG2 3.49Å |
| 96 | F | 94.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 2% | 0.022 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 161.4 | -173.4 | -64.9 | -83.2 | 0 | 0 | 0 | 111.4 | G87 T88 Q89 Y91 E94 V98 I114 Q116 | G87-F96 CarbonylContact C-O 3.38Å; G87-F96 WeakPolarHBondContact CA-O 3.22Å; T88-F96 PolarHBondContact N-O 2.83Å; Q89-F96 WeakPolarHBondContact CB-O 3.26Å; Q89-F96 PolarHBondContact N-O 2.85Å; Q89-F96 PolarHBondContact O-N 2.81Å; Y91-F96 AromaticContact CD2-CD2 3.9Å; Y91-F96 HydrophobicContact CD2-CD2 3.9Å; E94-F96 HydrophobicContact CB-CD2 4.45Å; E94-F96 HydrophobicContact CB-CE2 3.54Å; E94-F96 HydrophobicContact CB-CZ 3.89Å; E94-F96 WeakPolarHBondContact OE2-CZ 3.16Å; F96-V98 HydrophobicContact CD1-CG2 4.24Å; F96-I114 HydrophobicContact CD1-CG2 4.35Å; F96-I114 HydrophobicContact CE1-CG2 3.84Å; F96-Q116 HydrophobicContact CB-CB 4.45Å; F96-Q116 HydrophobicContact CD1-CB 4.06Å; F96-Q116 HydrophobicContact CD2-CB 3.53Å; F96-Q116 HydrophobicContact CD2-CG 4.46Å; F96-Q116 HydrophobicContact CE1-CB 4.18Å; F96-Q116 HydrophobicContact CE2-CB 3.64Å; F96-Q116 HydrophobicContact CE2-CG 4.27Å; F96-Q116 HydrophobicContact CG-CB 3.74Å; F96-Q116 HydrophobicContact CZ-CB 3.97Å |
| 97 | P | 96.8 | Very high | 92 | Very high | 23 Ų | 23 | 62.4 Ų | 62.4 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -63 | 159 | -11.9 | 22.9 | -32.8 | 0 | 0 | 0 | 113.4 | G87 F99 F113 I114 Q115 | G87-P97 PolarHBondContact N-O 3.25Å; P97-F99 HydrophobicContact CB-CD2 4.12Å; P97-F99 HydrophobicContact CB-CE2 3.68Å; P97-F99 HydrophobicContact CB-CZ 4.48Å; P97-F99 HydrophobicContact CG-CD2 4.28Å; P97-F99 HydrophobicContact CG-CE2 3.62Å; P97-F113 HydrophobicContact CB-CD2 4.28Å; P97-F113 HydrophobicContact CB-CE2 3.48Å; P97-F113 VanDerWaalsContact CB-CE2 3.48Å; P97-F113 HydrophobicContact CB-CZ 4.21Å; P97-F113 HydrophobicContact CG-CE2 4.41Å; P97-I114 CarbonylContact C-O 3.53Å; P97-I114 WeakPolarHBondContact CA-O 3.22Å; P97-Q115 VanDerWaalsContact CB-OE1 3.26Å |
| 98 | V | 97.4 | Very high | 92 | Very high | 23 Ų | 23 | 64.2 Ų | 64.2 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.2 | 167.4 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | Y85 V86 S95 F96 L100 F113 I114 | Y85-V98 CarbonylContact O-C 3.53Å; Y85-V98 WeakPolarHBondContact O-CA 3.26Å; V86-V98 HydrophobicContact CG2-CG1 4.44Å; S95-V98 WeakPolarHBondContact O-CG2 3.49Å; F96-V98 HydrophobicContact CD1-CG2 4.24Å; V98-L100 HydrophobicContact CG1-CD1 4.19Å; V98-L100 HydrophobicContact CG1-CD2 4.41Å; V98-L100 HydrophobicContact CG1-CG 4.01Å; V98-F113 CarbonylContact O-C 3.56Å; V98-F113 WeakPolarHBondContact O-CA 3.33Å; V98-I114 HydrophobicContact CB-CB 4.23Å; V98-I114 PolarHBondContact N-O 3.09Å; V98-I114 PolarHBondContact O-N 2.76Å |
| 99 | F | 97.6 | Very high | 92.2 | Very high | 96 Ų | 96 | 62.4 Ų | 62.4 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.4 | 169.6 | -65.5 | -99.3 | 0 | 0 | 0 | 108.6 | M84 Y85 P97 N112 F113 | M84-F99 CarbonylContact C-O 3.49Å; M84-F99 VanDerWaalsContact CA-O 3.26Å; M84-F99 WeakPolarHBondContact CA-O 3.11Å; Y85-F99 AromaticContact CD1-CD2 3.85Å; Y85-F99 HydrophobicContact CD1-CD2 3.85Å; Y85-F99 HydrophobicContact CD1-CE2 4.39Å; Y85-F99 PolarHBondContact N-O 2.7Å; Y85-F99 PolarHBondContact O-N 2.84Å; P97-F99 HydrophobicContact CB-CD2 4.12Å; P97-F99 HydrophobicContact CB-CE2 3.68Å; P97-F99 HydrophobicContact CB-CZ 4.48Å; P97-F99 HydrophobicContact CG-CD2 4.28Å; P97-F99 HydrophobicContact CG-CE2 3.62Å; F99-N112 CarbonylContact C-O 3.45Å; F99-N112 WeakPolarHBondContact CA-O 3.4Å; F99-F113 HydrophobicContact CD1-CB 4.39Å; F99-F113 AromaticContact CD1-CD2 3.59Å; F99-F113 HydrophobicContact CD1-CD2 3.59Å; F99-F113 HydrophobicContact CD1-CE2 4.34Å; F99-F113 HydrophobicContact CD1-CG 4.4Å; F99-F113 HydrophobicContact CD2-CD2 4.1Å; F99-F113 HydrophobicContact CD2-CE2 4.31Å; F99-F113 HydrophobicContact CE1-CB 4.47Å; F99-F113 AromaticContact CE1-CD2 3.22Å; F99-F113 HydrophobicContact CE1-CD2 3.22Å; F99-F113 AromaticContact CE1-CE2 3.63Å; F99-F113 HydrophobicContact CE1-CE2 3.63Å; F99-F113 HydrophobicContact CE1-CG 4.11Å; F99-F113 AromaticContact CE2-CD2 3.82Å; F99-F113 HydrophobicContact CE2-CD2 3.82Å; F99-F113 AromaticContact CE2-CE2 3.64Å; F99-F113 HydrophobicContact CE2-CE2 3.64Å; F99-F113 HydrophobicContact CG-CD2 4.03Å; F99-F113 AromaticContact CZ-CD2 3.37Å; F99-F113 HydrophobicContact CZ-CD2 3.37Å; F99-F113 AromaticContact CZ-CE2 3.24Å; F99-F113 HydrophobicContact CZ-CE2 3.24Å; F99-F113 HydrophobicContact CZ-CZ 4.37Å |
| 100 | L | 96.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 59.7 Ų | 59.7 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.8 | 175.5 | -60.6 | 156.7 | 0 | 0 | 0 | 106.2 | A83 M84 V98 A111 N112 I114 | A83-L100 WeakPolarHBondContact O-CA 3.49Å; M84-L100 HydrophobicContact CB-CD2 3.86Å; M84-L100 HydrophobicContact CE-CD2 3.22Å; M84-L100 HydrophobicContact CG-CD2 3.46Å; M84-L100 VanDerWaalsContact CG-CD2 3.46Å; M84-L100 HydrophobicContact SD-CD2 3.93Å; V98-L100 HydrophobicContact CG1-CD1 4.19Å; V98-L100 HydrophobicContact CG1-CD2 4.41Å; V98-L100 HydrophobicContact CG1-CG 4.01Å; L100-A111 CarbonylContact O-C 3.58Å; L100-A111 WeakPolarHBondContact O-CA 3.19Å; L100-N112 HydrophobicContact CB-CB 4.19Å; L100-N112 HydrophobicContact CD1-CB 4.32Å; L100-N112 PolarHBondContact N-O 2.79Å; L100-N112 PolarHBondContact O-N 2.83Å; L100-I114 HydrophobicContact CD1-CD1 4.48Å |
| 101 | A | 97.4 | Very high | 93 | Very high | 38 Ų | 38 | 51.6 Ų | 51.6 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 136.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G82 A83 L109 N110 A111 | G82-A101 CarbonylContact C-O 3.51Å; G82-A101 WeakPolarHBondContact CA-O 3.39Å; A83-A101 PolarHBondContact N-O 2.72Å; A83-A101 PolarHBondContact O-N 2.82Å; A101-L109 HydrophobicContact CB-CD1 4.19Å; A101-N110 CarbonylContact C-O 3.55Å; A101-N110 WeakPolarHBondContact CA-O 3.47Å; A101-A111 HydrophobicContact CB-CB 4.38Å |
| 102 | D | 95.7 | Very high | 93.7 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.5 | 169.3 | 63.7 | -82.9 | 0 | 0 | 0 | 111.2 | F81 L109 N110 | F81-D102 CarbonylContact O-C 3.45Å; F81-D102 VanDerWaalsContact O-CA 3.26Å; F81-D102 WeakPolarHBondContact O-CA 3.49Å; D102-L109 CarbonylContact O-C 3.51Å; D102-L109 WeakPolarHBondContact O-CA 3.14Å; D102-N110 PolarHBondContact N-O 2.87Å; D102-N110 PolarHBondContact O-N 3.02Å; D102-N110 WeakPolarHBondContact OD1-CB 3.27Å |
| 103 | T | 96.5 | Very high | 94.5 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.6 | 176.2 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | R80 F81 N108 | R80-T103 CarbonylContact C-O 3.6Å; R80-T103 VanDerWaalsContact CA-O 3.28Å; R80-T103 WeakPolarHBondContact CA-O 3.38Å; F81-T103 HydrophobicContact CB-CG2 4.05Å; F81-T103 HydrophobicContact CD1-CG2 4.27Å; F81-T103 PolarHBondContact N-O 3.36Å; F81-T103 PolarHBondContact O-N 2.9Å; T103-N108 CarbonylContact C-O 3.54Å; T103-N108 WeakPolarHBondContact CA-O 3.43Å; T103-N108 PolarHBondContact OG1-O 2.85Å |
| 104 | D | 93.7 | Very high | 95.3 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 174.3 | 171.2 | 68.7 | 24.8 | 0 | 0 | 0 | 112.3 | R80 T106 G107 N108 | R80-D104 HydrophobicContact CG-CB 4.05Å; D104-T106 PolarHBondContact O-N 2.82Å; D104-T106 WeakPolarHBondContact OD1-CA 3.49Å; D104-T106 PolarHBondContact OD1-N 2.73Å; D104-T106 PolarHBondContact OD1-OG1 2.85Å; D104-T106 PolarHBondContact OD2-OG1 2.73Å; D104-G107 PolarHBondContact O-N 2.89Å; D104-G107 VanDerWaalsContact O-N 3.12Å; D104-G107 PolarHBondContact OD1-N 2.82Å; D104-G107 VanDerWaalsContact OD1-N 3.12Å; D104-N108 PolarHBondContact N-O 2.83Å; D104-N108 WeakPolarHBondContact OD1-CB 3.44Å; D104-N108 PolarHBondContact OD1-N 2.81Å; D104-N108 PolarHBondContact OD1-ND2 3.04Å; D104-N108 WeakPolarHBondContact OD2-CB 3.28Å; D104-N108 PolarHBondContact OD2-ND2 2.79Å |
| 105 | V | 91.2 | Very high | 95.6 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 66% | 0.661 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.2 | 179.5 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | Y79 G107 | Y79-V105 HydrophobicContact CD1-CG1 3.94Å; V105-G107 VanDerWaalsContact C-N 3.3Å |
| 106 | T | 91.1 | Very high | 95.7 | Very high | 103 Ų | 103 | 45.2 Ų | 45.2 | 63% | 0.632 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -1 | 175.6 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | D104 N108 | D104-T106 PolarHBondContact O-N 2.82Å; D104-T106 WeakPolarHBondContact OD1-CA 3.49Å; D104-T106 PolarHBondContact OD1-N 2.73Å; D104-T106 PolarHBondContact OD1-OG1 2.85Å; D104-T106 PolarHBondContact OD2-OG1 2.73Å; T106-N108 PolarHBondContact OG1-ND2 3.09Å |
| 107 | G | 91 | Very high | 95.6 | Very high | 42 Ų | 42 | 49.3 Ų | 49.3 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | trans | 81.5 | 13.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D104 V105 | D104-G107 PolarHBondContact O-N 2.89Å; D104-G107 VanDerWaalsContact O-N 3.12Å; D104-G107 PolarHBondContact OD1-N 2.82Å; D104-G107 VanDerWaalsContact OD1-N 3.12Å; V105-G107 VanDerWaalsContact C-N 3.3Å | ||
| 108 | N | 95 | Very high | 95.3 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 22% | 0.219 | 30% | 0.297 | C | S | . | . | trans | -74.3 | 135.5 | 169.6 | -53.7 | -46.5 | 0 | 0 | 0 | 108.7 | T103 D104 T106 I129 Q130 | T103-N108 CarbonylContact C-O 3.54Å; T103-N108 WeakPolarHBondContact CA-O 3.43Å; T103-N108 PolarHBondContact OG1-O 2.85Å; D104-N108 PolarHBondContact N-O 2.83Å; D104-N108 WeakPolarHBondContact OD1-CB 3.44Å; D104-N108 PolarHBondContact OD1-N 2.81Å; D104-N108 PolarHBondContact OD1-ND2 3.04Å; D104-N108 WeakPolarHBondContact OD2-CB 3.28Å; D104-N108 PolarHBondContact OD2-ND2 2.79Å; T106-N108 PolarHBondContact OG1-ND2 3.09Å; N108-I129 CarbonylContact C-O 3.46Å; N108-I129 VanDerWaalsContact CA-O 3.27Å; N108-I129 WeakPolarHBondContact CA-O 3.47Å; N108-Q130 HydrophobicContact CB-CG 4.2Å; N108-Q130 WeakPolarHBondContact OD1-CA 3.41Å; N108-Q130 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 109 | L | 96.2 | Very high | 94.9 | Very high | 60 Ų | 60 | 55 Ų | 55 | 31% | 0.314 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.8 | -179.3 | 177.4 | 72.7 | 0 | 0 | 0 | 109.7 | A101 D102 Q128 I129 | A101-L109 HydrophobicContact CB-CD1 4.19Å; D102-L109 CarbonylContact O-C 3.51Å; D102-L109 WeakPolarHBondContact O-CA 3.14Å; L109-Q128 CarbonylContact O-C 3.5Å; L109-Q128 WeakPolarHBondContact O-CA 3.46Å; L109-I129 HydrophobicContact CB-CB 4.23Å; L109-I129 HydrophobicContact CD2-CD1 4.02Å; L109-I129 PolarHBondContact N-O 2.77Å; L109-I129 PolarHBondContact O-N 2.82Å |
| 110 | N | 96.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.9 | 164.1 | -175 | -56.7 | 0 | 0 | 0 | 107.9 | A101 D102 N112 A127 Q128 | A101-N110 CarbonylContact C-O 3.55Å; A101-N110 WeakPolarHBondContact CA-O 3.47Å; D102-N110 PolarHBondContact N-O 2.87Å; D102-N110 PolarHBondContact O-N 3.02Å; D102-N110 WeakPolarHBondContact OD1-CB 3.27Å; N110-N112 PolarHBondContact OD1-ND2 2.84Å; N110-A127 WeakPolarHBondContact CA-O 3.38Å; N110-Q128 PolarHBondContact ND2-NE2 3.45Å |
| 111 | A | 97.5 | Very high | 94.6 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L100 A101 A126 A127 | L100-A111 CarbonylContact O-C 3.58Å; L100-A111 WeakPolarHBondContact O-CA 3.19Å; A101-A111 HydrophobicContact CB-CB 4.38Å; A111-A126 CarbonylContact O-C 3.6Å; A111-A126 VanDerWaalsContact O-CA 3.26Å; A111-A126 WeakPolarHBondContact O-CA 3.39Å; A111-A127 PolarHBondContact N-O 3.43Å; A111-A127 PolarHBondContact O-N 2.88Å |
| 112 | N | 97.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.3 | 172.7 | -64.8 | -104.3 | 0 | 0 | 0 | 109.3 | F99 L100 N110 R124 F125 A126 | F99-N112 CarbonylContact C-O 3.45Å; F99-N112 WeakPolarHBondContact CA-O 3.4Å; L100-N112 HydrophobicContact CB-CB 4.19Å; L100-N112 HydrophobicContact CD1-CB 4.32Å; L100-N112 PolarHBondContact N-O 2.79Å; L100-N112 PolarHBondContact O-N 2.83Å; N110-N112 PolarHBondContact OD1-ND2 2.84Å; N112-R124 PolarHBondContact OD1-NE 2.81Å; N112-R124 PolarHBondContact OD1-NH2 2.93Å; N112-F125 CarbonylContact C-O 3.46Å; N112-F125 WeakPolarHBondContact CA-O 3.49Å; N112-A126 WeakPolarHBondContact OD1-CB 3.45Å |
| 113 | F | 97.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 53.8 Ų | 53.8 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.9 | 172.6 | 170.8 | -110.7 | 0 | 0 | 0 | 108.4 | P97 V98 F99 Q115 R124 F125 | P97-F113 HydrophobicContact CB-CD2 4.28Å; P97-F113 HydrophobicContact CB-CE2 3.48Å; P97-F113 VanDerWaalsContact CB-CE2 3.48Å; P97-F113 HydrophobicContact CB-CZ 4.21Å; P97-F113 HydrophobicContact CG-CE2 4.41Å; V98-F113 CarbonylContact O-C 3.56Å; V98-F113 WeakPolarHBondContact O-CA 3.33Å; F99-F113 HydrophobicContact CD1-CB 4.39Å; F99-F113 AromaticContact CD1-CD2 3.59Å; F99-F113 HydrophobicContact CD1-CD2 3.59Å; F99-F113 HydrophobicContact CD1-CE2 4.34Å; F99-F113 HydrophobicContact CD1-CG 4.4Å; F99-F113 HydrophobicContact CD2-CD2 4.1Å; F99-F113 HydrophobicContact CD2-CE2 4.31Å; F99-F113 HydrophobicContact CE1-CB 4.47Å; F99-F113 AromaticContact CE1-CD2 3.22Å; F99-F113 HydrophobicContact CE1-CD2 3.22Å; F99-F113 AromaticContact CE1-CE2 3.63Å; F99-F113 HydrophobicContact CE1-CE2 3.63Å; F99-F113 HydrophobicContact CE1-CG 4.11Å; F99-F113 AromaticContact CE2-CD2 3.82Å; F99-F113 HydrophobicContact CE2-CD2 3.82Å; F99-F113 AromaticContact CE2-CE2 3.64Å; F99-F113 HydrophobicContact CE2-CE2 3.64Å; F99-F113 HydrophobicContact CG-CD2 4.03Å; F99-F113 AromaticContact CZ-CD2 3.37Å; F99-F113 HydrophobicContact CZ-CD2 3.37Å; F99-F113 AromaticContact CZ-CE2 3.24Å; F99-F113 HydrophobicContact CZ-CE2 3.24Å; F99-F113 HydrophobicContact CZ-CZ 4.37Å; F113-Q115 HydrophobicContact CE1-CB 3.82Å; F113-Q115 HydrophobicContact CZ-CB 3.72Å; F113-Q115 HydrophobicContact CZ-CG 4.42Å; F113-R124 CarbonylContact O-C 3.51Å; F113-R124 VanDerWaalsContact O-CA 3.29Å; F113-R124 WeakPolarHBondContact O-CA 3.25Å; F113-F125 HydrophobicContact CB-CB 4.36Å; F113-F125 HydrophobicContact CD1-CB 4.4Å; F113-F125 PolarHBondContact N-O 2.91Å; F113-F125 PolarHBondContact O-N 2.8Å |
| 114 | I | 97.4 | Very high | 94.7 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.7 | 180 | -50.7 | 168.8 | 0 | 0 | 0 | 107.9 | F96 P97 V98 L100 R122 C123 R124 | F96-I114 HydrophobicContact CD1-CG2 4.35Å; F96-I114 HydrophobicContact CE1-CG2 3.84Å; P97-I114 CarbonylContact C-O 3.53Å; P97-I114 WeakPolarHBondContact CA-O 3.22Å; V98-I114 HydrophobicContact CB-CB 4.23Å; V98-I114 PolarHBondContact N-O 3.09Å; V98-I114 PolarHBondContact O-N 2.76Å; L100-I114 HydrophobicContact CD1-CD1 4.48Å; I114-R122 HydrophobicContact CG2-CG 4.11Å; I114-C123 WeakPolarHBondContact CA-O 3.49Å; I114-R124 HydrophobicContact CG1-CB 4.4Å; I114-R124 HydrophobicContact CG1-CG 4.04Å |
| 115 | Q | 96.5 | Very high | 94.9 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.3 | 177.7 | 179.1 | 65.4 | 51 | 0 | 0 | 110 | P97 F113 L117 C123 | P97-Q115 VanDerWaalsContact CB-OE1 3.26Å; F113-Q115 HydrophobicContact CE1-CB 3.82Å; F113-Q115 HydrophobicContact CZ-CB 3.72Å; F113-Q115 HydrophobicContact CZ-CG 4.42Å; Q115-L117 HydrophobicContact CG-CD2 3.72Å; Q115-L117 HydrophobicContact CG-CG 4.33Å; Q115-C123 PolarHBondContact N-O 3.1Å; Q115-C123 PolarHBondContact O-N 2.9Å |
| 116 | Q | 95.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 114.3 | 165.1 | -168.3 | 75.9 | 35.7 | 0 | 0 | 108.1 | Y91 F96 T118 L121 | Y91-Q116 HydrophobicContact CD1-CG 3.9Å; Y91-Q116 HydrophobicContact CD2-CB 3.7Å; Y91-Q116 HydrophobicContact CD2-CG 3.72Å; Y91-Q116 HydrophobicContact CE1-CG 4.24Å; Y91-Q116 HydrophobicContact CE2-CB 3.91Å; Y91-Q116 HydrophobicContact CE2-CG 4.06Å; Y91-Q116 WeakPolarHBondContact CE2-O 3.45Å; Y91-Q116 HydrophobicContact CG-CB 4.12Å; Y91-Q116 HydrophobicContact CG-CG 3.61Å; F96-Q116 HydrophobicContact CB-CB 4.45Å; F96-Q116 HydrophobicContact CD1-CB 4.06Å; F96-Q116 HydrophobicContact CD2-CB 3.53Å; F96-Q116 HydrophobicContact CD2-CG 4.46Å; F96-Q116 HydrophobicContact CE1-CB 4.18Å; F96-Q116 HydrophobicContact CE2-CB 3.64Å; F96-Q116 HydrophobicContact CE2-CG 4.27Å; F96-Q116 HydrophobicContact CG-CB 3.74Å; F96-Q116 HydrophobicContact CZ-CB 3.97Å; Q116-T118 VanDerWaalsContact CG-O 3.27Å; Q116-T118 WeakPolarHBondContact CG-O 3.18Å; Q116-T118 PolarHBondContact NE2-O 3.18Å; Q116-L121 PolarHBondContact NE2-O 3.15Å |
| 117 | L | 92.6 | Very high | 95.5 | Very high | 92 Ų | 92 | 49.6 Ų | 49.6 | 48% | 0.482 | 26% | 0.259 | S | S | . | . | trans | -87.9 | -33.7 | -176.9 | -65.9 | 175.5 | 0 | 0 | 0 | 112.3 | Q115 L121 C123 | Q115-L117 HydrophobicContact CG-CD2 3.72Å; Q115-L117 HydrophobicContact CG-CG 4.33Å; L117-L121 HydrophobicContact CB-CB 4.47Å; L117-L121 HydrophobicContact CB-CD2 4.22Å; L117-L121 HydrophobicContact CB-CG 4.5Å; L117-L121 HydrophobicContact CD1-CD2 3.85Å; L117-L121 HydrophobicContact CD1-CG 4.39Å; L117-L121 PolarHBondContact N-O 2.98Å; L117-C123 HydrophobicContact CD1-CB 4.4Å; L117-C123 VanDerWaalsContact CD1-SG 3.5Å | ||
| 118 | T | 91.7 | Very high | 95.7 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -144.7 | 174.7 | 175.5 | 68.5 | 0 | 0 | 0 | 0 | 108.9 | Q116 R120 L121 | Q116-T118 VanDerWaalsContact CG-O 3.27Å; Q116-T118 WeakPolarHBondContact CG-O 3.18Å; Q116-T118 PolarHBondContact NE2-O 3.18Å; T118-R120 PolarHBondContact O-N 2.74Å; T118-R120 PolarHBondContact OG1-N 2.71Å; T118-L121 PolarHBondContact N-O 3.34Å; T118-L121 PolarHBondContact O-N 3.4Å; T118-L121 VanDerWaalsContact OG1-CB 3.27Å; T118-L121 WeakPolarHBondContact OG1-CB 3.26Å; T118-L121 PolarHBondContact OG1-N 2.86Å |
| 119 | D | 88 | Confident | 95.8 | Very high | 98 Ų | 98 | 51.8 Ų | 51.8 | 52% | 0.524 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -57.5 | -15 | 175.3 | -61.3 | -31.1 | 0 | 0 | 0 | 114.4 | Y91 | Y91-D119 WeakPolarHBondContact CD1-OD1 3.43Š|
| 120 | R | 92.6 | Very high | 95.7 | Very high | 106 Ų | 106 | 53.4 Ų | 53.4 | 40% | 0.4 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -117.2 | -28.2 | -176.8 | -61.3 | -170.4 | -178.5 | -179.6 | 1.8 | 113.7 | F27 T118 Y143 R144 | F27-R120 HydrophobicContact CE2-CG 4.08Å; F27-R120 HydrophobicContact CZ-CG 3.97Å; T118-R120 PolarHBondContact O-N 2.74Å; T118-R120 PolarHBondContact OG1-N 2.71Å; R120-Y143 HydrophobicContact CB-CD2 4.09Å; R120-Y143 HydrophobicContact CB-CE2 3.69Å; R120-Y143 CarbonylContact O-C 3.58Å; R120-Y143 WeakPolarHBondContact O-CA 3.43Å; R120-R144 WeakPolarHBondContact CA-O 3.42Å; R120-R144 WeakPolarHBondContact CB-O 3.38Å; R120-R144 VanDerWaalsContact CG-O 3.26Å; R120-R144 WeakPolarHBondContact CG-O 3.49Å; R120-R144 PolarHBondContact O-N 3.02Å |
| 121 | L | 95.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.4 | -171.3 | -170 | 69.8 | 0 | 0 | 0 | 111.1 | Q116 L117 T118 T141 E142 Y143 | Q116-L121 PolarHBondContact NE2-O 3.15Å; L117-L121 HydrophobicContact CB-CB 4.47Å; L117-L121 HydrophobicContact CB-CD2 4.22Å; L117-L121 HydrophobicContact CB-CG 4.5Å; L117-L121 HydrophobicContact CD1-CD2 3.85Å; L117-L121 HydrophobicContact CD1-CG 4.39Å; L117-L121 PolarHBondContact N-O 2.98Å; T118-L121 PolarHBondContact N-O 3.34Å; T118-L121 PolarHBondContact O-N 3.4Å; T118-L121 VanDerWaalsContact OG1-CB 3.27Å; T118-L121 WeakPolarHBondContact OG1-CB 3.26Å; T118-L121 PolarHBondContact OG1-N 2.86Å; L121-T141 HydrophobicContact CD1-CG2 3.47Å; L121-T141 VanDerWaalsContact CD1-CG2 3.47Å; L121-T141 HydrophobicContact CG-CG2 4.39Å; L121-E142 WeakPolarHBondContact CA-O 3.44Å; L121-Y143 HydrophobicContact CD1-CD2 4.31Å |
| 122 | R | 95.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 13% | 0.125 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.5 | 173.8 | -175.9 | 178.3 | -62.7 | -163.6 | -5.6 | 109.4 | E94 I114 T141 E142 | E94-R122 IonicContact OE2-CZ 3.34Å; E94-R122 IonicContact OE2-NH1 3.25Å; E94-R122 PolarHBondContact OE2-NH1 2.83Å; E94-R122 IonicContact OE2-NH2 2.7Å; E94-R122 PolarHBondContact OE2-NH2 2.78Å; I114-R122 HydrophobicContact CG2-CG 4.11Å; R122-T141 CarbonylContact O-C 3.57Å; R122-T141 WeakPolarHBondContact O-CA 3.3Å; R122-E142 HydrophobicContact CB-CB 4.22Å; R122-E142 PolarHBondContact N-O 3.44Å; R122-E142 PolarHBondContact O-N 2.83Å |
| 123 | C | 97.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 69.1 Ų | 69.1 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.2 | 172.7 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | I114 Q115 L117 T140 | I114-C123 WeakPolarHBondContact CA-O 3.49Å; Q115-C123 PolarHBondContact N-O 3.1Å; Q115-C123 PolarHBondContact O-N 2.9Å; L117-C123 HydrophobicContact CD1-CB 4.4Å; L117-C123 VanDerWaalsContact CD1-SG 3.5Å; C123-T140 CarbonylContact C-O 3.56Å; C123-T140 WeakPolarHBondContact CA-O 3.09Å |
| 124 | R | 97.5 | Very high | 94 | Very high | 100 Ų | 100 | 72.4 Ų | 72.4 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.1 | 173.8 | 175.2 | 175.8 | 179.5 | -175.3 | -1 | 108.6 | N112 F113 I114 L139 T140 | N112-R124 PolarHBondContact OD1-NE 2.81Å; N112-R124 PolarHBondContact OD1-NH2 2.93Å; F113-R124 CarbonylContact O-C 3.51Å; F113-R124 VanDerWaalsContact O-CA 3.29Å; F113-R124 WeakPolarHBondContact O-CA 3.25Å; I114-R124 HydrophobicContact CG1-CB 4.4Å; I114-R124 HydrophobicContact CG1-CG 4.04Å; R124-L139 CarbonylContact O-C 3.48Å; R124-L139 WeakPolarHBondContact O-CA 3.01Å; R124-T140 PolarHBondContact N-O 2.83Å; R124-T140 PolarHBondContact O-N 2.97Å |
| 125 | F | 98 | Very high | 93.8 | Very high | 85 Ų | 85 | 73.4 Ų | 73.4 | 37% | 0.373 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.5 | 170.5 | 177.9 | -100.4 | 0 | 0 | 0 | 108.4 | N112 F113 A127 V137 Q138 L139 | N112-F125 CarbonylContact C-O 3.46Å; N112-F125 WeakPolarHBondContact CA-O 3.49Å; F113-F125 HydrophobicContact CB-CB 4.36Å; F113-F125 HydrophobicContact CD1-CB 4.4Å; F113-F125 PolarHBondContact N-O 2.91Å; F113-F125 PolarHBondContact O-N 2.8Å; F125-A127 HydrophobicContact CE1-CB 3.89Å; F125-A127 HydrophobicContact CZ-CB 4.14Å; F125-V137 HydrophobicContact CD2-CG1 4.47Å; F125-V137 HydrophobicContact CE2-CG1 3.52Å; F125-V137 HydrophobicContact CZ-CG1 3.9Å; F125-Q138 CarbonylContact C-O 3.53Å; F125-Q138 WeakPolarHBondContact CA-O 3.33Å; F125-L139 HydrophobicContact CB-CD1 4.48Å; F125-L139 HydrophobicContact CD2-CD1 4.49Å |
| 126 | A | 97.6 | Very high | 93.6 | Very high | 15 Ų | 15 | 72.8 Ų | 72.8 | 12% | 0.124 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A111 N112 V137 Q138 | A111-A126 CarbonylContact O-C 3.6Å; A111-A126 VanDerWaalsContact O-CA 3.26Å; A111-A126 WeakPolarHBondContact O-CA 3.39Å; N112-A126 WeakPolarHBondContact OD1-CB 3.45Å; A126-V137 CarbonylContact O-C 3.56Å; A126-V137 WeakPolarHBondContact O-CA 3.48Å; A126-Q138 HydrophobicContact CB-CB 4.36Å; A126-Q138 PolarHBondContact N-O 2.77Å; A126-Q138 PolarHBondContact O-N 2.79Å |
| 127 | A | 97.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 74.9 Ų | 74.9 | 5% | 0.05 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | N110 A111 F125 F134 G136 | N110-A127 WeakPolarHBondContact CA-O 3.38Å; A111-A127 PolarHBondContact N-O 3.43Å; A111-A127 PolarHBondContact O-N 2.88Å; F125-A127 HydrophobicContact CE1-CB 3.89Å; F125-A127 HydrophobicContact CZ-CB 4.14Å; A127-F134 HydrophobicContact CB-CD1 4.28Å; A127-F134 HydrophobicContact CB-CE1 4.16Å; A127-G136 CarbonylContact C-O 3.58Å; A127-G136 WeakPolarHBondContact CA-O 3.31Å |
| 128 | Q | 96.6 | Very high | 93.9 | Very high | 88 Ų | 88 | 73.9 Ų | 73.9 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120.2 | 171.6 | -64.6 | -176 | 6.6 | 0 | 0 | 108.1 | L109 N110 F134 A135 G136 | L109-Q128 CarbonylContact O-C 3.5Å; L109-Q128 WeakPolarHBondContact O-CA 3.46Å; N110-Q128 PolarHBondContact ND2-NE2 3.45Å; Q128-F134 CarbonylContact O-C 3.54Å; Q128-A135 PolarHBondContact O-N 3.19Å; Q128-G136 PolarHBondContact N-O 2.77Å; Q128-G136 PolarHBondContact O-N 3.49Å |
| 129 | I | 96.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 74.1 Ų | 74.1 | 21% | 0.21 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.9 | 177.6 | -51.5 | -177.3 | 0 | 0 | 0 | 107.5 | N108 L109 K133 F134 | N108-I129 CarbonylContact C-O 3.46Å; N108-I129 VanDerWaalsContact CA-O 3.27Å; N108-I129 WeakPolarHBondContact CA-O 3.47Å; L109-I129 HydrophobicContact CB-CB 4.23Å; L109-I129 HydrophobicContact CD2-CD1 4.02Å; L109-I129 PolarHBondContact N-O 2.77Å; L109-I129 PolarHBondContact O-N 2.82Å; I129-K133 CarbonylContact C-O 3.54Å; I129-K133 VanDerWaalsContact CA-O 3.28Å; I129-K133 WeakPolarHBondContact CA-O 3.46Å; I129-K133 WeakPolarHBondContact CG2-O 3.39Å; I129-F134 HydrophobicContact CD1-CD1 4.34Å; I129-F134 HydrophobicContact CD1-CE1 3.78Å; I129-F134 HydrophobicContact CD1-CZ 4.11Å; I129-F134 HydrophobicContact CG1-CD1 3.88Å; I129-F134 HydrophobicContact CG1-CE1 3.83Å |
| 130 | Q | 94.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 69.9 Ų | 69.9 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137 | 175.4 | -61.6 | -179.7 | -1.3 | 0 | 0 | 108.3 | N108 N132 K133 A135 | N108-Q130 HydrophobicContact CB-CG 4.2Å; N108-Q130 WeakPolarHBondContact OD1-CA 3.41Å; N108-Q130 WeakPolarHBondContact OD1-CB 3.49Å; Q130-N132 PolarHBondContact O-N 2.76Å; Q130-N132 VanDerWaalsContact O-N 3.17Å; Q130-K133 PolarHBondContact N-O 3.29Å; Q130-K133 PolarHBondContact O-N 2.72Å; Q130-K133 VanDerWaalsContact O-O 3.07Å; Q130-A135 HydrophobicContact CB-CB 4.03Å; Q130-A135 HydrophobicContact CG-CB 3.91Å |
| 131 | S | 90 | Very high | 95 | Very high | 104 Ų | 104 | 67.2 Ų | 67.2 | 73% | 0.727 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 42.3 | -179.5 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | K133 | S131-K133 PolarHBondContact O-N 2.76Š|
| 132 | N | 84.9 | Confident | 95 | Very high | 157 Ų | 157 | 65.5 Ų | 65.5 | 84% | 0.84 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 20.5 | -176.9 | -59.4 | -30.1 | 0 | 0 | 0 | 115.5 | Q130 | Q130-N132 PolarHBondContact O-N 2.76Å; Q130-N132 VanDerWaalsContact O-N 3.17Å |
| 133 | K | 90.7 | Very high | 95.1 | Very high | 160 Ų | 160 | 68.3 Ų | 68.3 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.3 | 174.3 | -63.8 | -176.3 | -178.7 | -178.5 | 0 | 110.2 | I129 Q130 S131 A135 | I129-K133 CarbonylContact C-O 3.54Å; I129-K133 VanDerWaalsContact CA-O 3.28Å; I129-K133 WeakPolarHBondContact CA-O 3.46Å; I129-K133 WeakPolarHBondContact CG2-O 3.39Å; Q130-K133 PolarHBondContact N-O 3.29Å; Q130-K133 PolarHBondContact O-N 2.72Å; Q130-K133 VanDerWaalsContact O-O 3.07Å; S131-K133 PolarHBondContact O-N 2.76Å; K133-A135 PolarHBondContact O-N 2.81Å |
| 134 | F | 89.1 | Confident | 95 | Very high | 136 Ų | 136 | 69.8 Ų | 69.8 | 60% | 0.596 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 102.9 | 169.8 | -72.1 | -81.2 | 0 | 0 | 0 | 109 | A127 Q128 I129 V137 | A127-F134 HydrophobicContact CB-CD1 4.28Å; A127-F134 HydrophobicContact CB-CE1 4.16Å; Q128-F134 CarbonylContact O-C 3.54Å; I129-F134 HydrophobicContact CD1-CD1 4.34Å; I129-F134 HydrophobicContact CD1-CE1 3.78Å; I129-F134 HydrophobicContact CD1-CZ 4.11Å; I129-F134 HydrophobicContact CG1-CD1 3.88Å; I129-F134 HydrophobicContact CG1-CE1 3.83Å; F134-V137 HydrophobicContact CB-CG2 4.01Å; F134-V137 HydrophobicContact CD1-CG2 3.77Å; F134-V137 HydrophobicContact CG-CG2 4.13Å |
| 135 | A | 91.7 | Very high | 94.9 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -27 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q128 Q130 K133 | Q128-A135 PolarHBondContact O-N 3.19Å; Q130-A135 HydrophobicContact CB-CB 4.03Å; Q130-A135 HydrophobicContact CG-CB 3.91Å; K133-A135 PolarHBondContact O-N 2.81Å |
| 136 | G | 93.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 13% | 0.134 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 143.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A127 Q128 N156 | A127-G136 CarbonylContact C-O 3.58Å; A127-G136 WeakPolarHBondContact CA-O 3.31Å; Q128-G136 PolarHBondContact N-O 2.77Å; Q128-G136 PolarHBondContact O-N 3.49Å; G136-N156 WeakPolarHBondContact CA-OD1 3.2Å |
| 137 | V | 96.2 | Very high | 94.6 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 132.2 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | F125 A126 F134 N156 | F125-V137 HydrophobicContact CD2-CG1 4.47Å; F125-V137 HydrophobicContact CE2-CG1 3.52Å; F125-V137 HydrophobicContact CZ-CG1 3.9Å; A126-V137 CarbonylContact O-C 3.56Å; A126-V137 WeakPolarHBondContact O-CA 3.48Å; F134-V137 HydrophobicContact CB-CG2 4.01Å; F134-V137 HydrophobicContact CD1-CG2 3.77Å; F134-V137 HydrophobicContact CG-CG2 4.13Å; V137-N156 PolarHBondContact N-OD1 2.81Å; V137-N156 PolarHBondContact O-N 2.9Å; V137-N156 PolarHBondContact O-OD1 2.82Å |
| 138 | Q | 97 | Very high | 94.6 | Very high | 70 Ų | 70 | 69.4 Ų | 69.4 | 33% | 0.327 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 128.5 | 178.7 | 174.5 | 173.2 | 1.1 | 0 | 0 | 110.5 | F125 A126 T140 L154 V155 | F125-Q138 CarbonylContact C-O 3.53Å; F125-Q138 WeakPolarHBondContact CA-O 3.33Å; A126-Q138 HydrophobicContact CB-CB 4.36Å; A126-Q138 PolarHBondContact N-O 2.77Å; A126-Q138 PolarHBondContact O-N 2.79Å; Q138-T140 PolarHBondContact NE2-OG1 2.81Å; Q138-T140 VanDerWaalsContact NE2-OG1 3.09Å; Q138-L154 CarbonylContact C-O 3.6Å; Q138-L154 VanDerWaalsContact CA-O 3.26Å; Q138-L154 WeakPolarHBondContact CA-O 3.35Å; Q138-V155 HydrophobicContact CB-CG2 4.35Å; Q138-V155 HydrophobicContact CG-CG2 3.95Å |
| 139 | L | 98 | Very high | 94.6 | Very high | 73 Ų | 73 | 65.3 Ų | 65.3 | 38% | 0.382 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 114.1 | 170.4 | 177.7 | 66.6 | 0 | 0 | 0 | 108.6 | R124 F125 S153 L154 | R124-L139 CarbonylContact O-C 3.48Å; R124-L139 WeakPolarHBondContact O-CA 3.01Å; F125-L139 HydrophobicContact CB-CD1 4.48Å; F125-L139 HydrophobicContact CD2-CD1 4.49Å; L139-S153 CarbonylContact O-C 3.59Å; L139-S153 WeakPolarHBondContact O-CA 3.38Å; L139-L154 PolarHBondContact N-O 2.79Å; L139-L154 PolarHBondContact O-N 2.76Å |
| 140 | T | 98.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.2 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | C123 R124 Q138 E142 A152 S153 | C123-T140 CarbonylContact C-O 3.56Å; C123-T140 WeakPolarHBondContact CA-O 3.09Å; R124-T140 PolarHBondContact N-O 2.83Å; R124-T140 PolarHBondContact O-N 2.97Å; Q138-T140 PolarHBondContact NE2-OG1 2.81Å; Q138-T140 VanDerWaalsContact NE2-OG1 3.09Å; T140-E142 HydrophobicContact CG2-CG 4.23Å; T140-A152 CarbonylContact C-O 3.57Å; T140-A152 WeakPolarHBondContact CA-O 3.49Å; T140-S153 WeakPolarHBondContact CB-OG 3.32Å; T140-S153 VanDerWaalsContact CG2-OG 3.28Å; T140-S153 WeakPolarHBondContact CG2-OG 3.24Å; T140-S153 WeakPolarHBondContact OG1-CB 3.46Å; T140-S153 PolarHBondContact OG1-OG 2.89Å |
| 141 | T | 98.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 31% | 0.307 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.7 | 172.6 | -57.9 | 0 | 0 | 0 | 0 | 108.8 | L121 R122 S151 A152 | L121-T141 HydrophobicContact CD1-CG2 3.47Å; L121-T141 VanDerWaalsContact CD1-CG2 3.47Å; L121-T141 HydrophobicContact CG-CG2 4.39Å; R122-T141 CarbonylContact O-C 3.57Å; R122-T141 WeakPolarHBondContact O-CA 3.3Å; T141-S151 CarbonylContact O-C 3.4Å; T141-S151 WeakPolarHBondContact O-CA 3.43Å; T141-A152 PolarHBondContact N-O 3.32Å; T141-A152 PolarHBondContact O-N 3.49Å |
| 142 | E | 97.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.075 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 133.5 | 178.1 | -51.5 | 170.1 | -157.6 | 0 | 0 | 109.4 | L33 L121 R122 T140 R144 A150 | L33-E142 HydrophobicContact CD2-CB 4.38Å; L33-E142 HydrophobicContact CD2-CG 3.91Å; L121-E142 WeakPolarHBondContact CA-O 3.44Å; R122-E142 HydrophobicContact CB-CB 4.22Å; R122-E142 PolarHBondContact N-O 3.44Å; R122-E142 PolarHBondContact O-N 2.83Å; T140-E142 HydrophobicContact CG2-CG 4.23Å; E142-R144 IonicContact OE2-CZ 3.41Å; E142-R144 IonicContact OE2-NE 3.19Å; E142-R144 PolarHBondContact OE2-NE 3.12Å; E142-R144 IonicContact OE2-NH2 2.77Å; E142-R144 PolarHBondContact OE2-NH2 3.26Å; E142-A150 CarbonylContact C-O 3.51Å; E142-A150 WeakPolarHBondContact CA-O 3.34Å |
| 143 | Y | 97.3 | Very high | 95.9 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 109.7 | 173.2 | -173.1 | -104.8 | 0 | 0 | 0 | 109.6 | R120 L121 T145 F148 T149 A150 | R120-Y143 HydrophobicContact CB-CD2 4.09Å; R120-Y143 HydrophobicContact CB-CE2 3.69Å; R120-Y143 CarbonylContact O-C 3.58Å; R120-Y143 WeakPolarHBondContact O-CA 3.43Å; L121-Y143 HydrophobicContact CD1-CD2 4.31Å; Y143-T145 HydrophobicContact CD1-CG2 3.77Å; Y143-T145 HydrophobicContact CE1-CG2 3.27Å; Y143-F148 HydrophobicContact CD1-CE2 4.07Å; Y143-F148 HydrophobicContact CD1-CZ 4.35Å; Y143-F148 HydrophobicContact CE1-CE2 4.35Å; Y143-F148 HydrophobicContact CE1-CZ 4.17Å; Y143-T149 WeakPolarHBondContact O-CA 3.43Å; Y143-A150 PolarHBondContact N-O 2.82Å; Y143-A150 PolarHBondContact O-N 2.82Å |
| 144 | R | 95.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 21% | 0.211 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.6 | -177.6 | -64.3 | -179.4 | -173.9 | -155.2 | -1 | 110.7 | F27 R120 E142 T149 | F27-R144 HydrophobicContact CD2-CB 4.36Å; F27-R144 WeakPolarHBondContact CE2-O 3.21Å; R120-R144 WeakPolarHBondContact CA-O 3.42Å; R120-R144 WeakPolarHBondContact CB-O 3.38Å; R120-R144 VanDerWaalsContact CG-O 3.26Å; R120-R144 WeakPolarHBondContact CG-O 3.49Å; R120-R144 PolarHBondContact O-N 3.02Å; E142-R144 IonicContact OE2-CZ 3.41Å; E142-R144 IonicContact OE2-NE 3.19Å; E142-R144 PolarHBondContact OE2-NE 3.12Å; E142-R144 IonicContact OE2-NH2 2.77Å; E142-R144 PolarHBondContact OE2-NH2 3.26Å; R144-T149 HydrophobicContact CG-CG2 3.83Å |
| 145 | T | 94.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | trans | -129.8 | 175 | 175.7 | 72.6 | 0 | 0 | 0 | 0 | 110.3 | N30 Y143 L147 F148 | N30-T145 WeakPolarHBondContact CB-O 3.29Å; N30-T145 PolarHBondContact ND2-O 2.74Å; Y143-T145 HydrophobicContact CD1-CG2 3.77Å; Y143-T145 HydrophobicContact CE1-CG2 3.27Å; T145-L147 PolarHBondContact O-N 3.4Å; T145-L147 VanDerWaalsContact O-N 3.15Å; T145-F148 HydrophobicContact CG2-CD1 4.24Å; T145-F148 HydrophobicContact CG2-CD2 4.38Å; T145-F148 HydrophobicContact CG2-CE1 3.65Å; T145-F148 HydrophobicContact CG2-CE2 3.82Å; T145-F148 HydrophobicContact CG2-CZ 3.42Å; T145-F148 VanDerWaalsContact CG2-CZ 3.42Å; T145-F148 PolarHBondContact N-O 2.85Å; T145-F148 WeakPolarHBondContact OG1-CD1 3.37Å; T145-F148 VanDerWaalsContact OG1-CE1 3.25Å; T145-F148 WeakPolarHBondContact OG1-CE1 3.49Å; T145-F148 WeakPolarHBondContact OG1-CG 3.21Å; T145-F148 PolarHBondContact OG1-N 3.2Å; T145-F148 VanDerWaalsContact OG1-N 3.09Å; T145-F148 PolarHBondContact OG1-O 2.59Å | ||
| 146 | P | 94 | Very high | 96.6 | Very high | 58 Ų | 58 | 43 Ų | 43 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -55.9 | -30.8 | 178.3 | -29.7 | 37 | 0 | 0 | 0 | 115.9 | F27 L29 N30 | F27-P146 HydrophobicContact CD1-CB 4.24Å; F27-P146 HydrophobicContact CD1-CG 3.71Å; F27-P146 HydrophobicContact CE1-CG 3.86Å; L29-P146 CarbonylContact C-O 3.55Å; N30-P146 PolarHBondContact N-O 2.77Å |
| 147 | L | 95.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 45.9 Ų | 45.9 | 39% | 0.387 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -126.7 | -8.9 | -171.1 | -63.9 | 177.4 | 0 | 0 | 0 | 114.5 | L29 T145 R172 R173 | L29-L147 HydrophobicContact CB-CD2 4.14Å; L29-L147 HydrophobicContact CD1-CD2 4.48Å; T145-L147 PolarHBondContact O-N 3.4Å; T145-L147 VanDerWaalsContact O-N 3.15Å; L147-R172 WeakPolarHBondContact O-CA 3.42Å; L147-R173 PolarHBondContact O-N 2.99Å |
| 148 | F | 97.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 46 Ų | 46 | 25% | 0.254 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 159.7 | 176.5 | 75.3 | -94.8 | 0 | 0 | 0 | 112.2 | N30 Y143 T145 F170 L171 R172 | N30-F148 PolarHBondContact ND2-O 3.13Å; N30-F148 VanDerWaalsContact ND2-O 3.1Å; Y143-F148 HydrophobicContact CD1-CE2 4.07Å; Y143-F148 HydrophobicContact CD1-CZ 4.35Å; Y143-F148 HydrophobicContact CE1-CE2 4.35Å; Y143-F148 HydrophobicContact CE1-CZ 4.17Å; T145-F148 HydrophobicContact CG2-CD1 4.24Å; T145-F148 HydrophobicContact CG2-CD2 4.38Å; T145-F148 HydrophobicContact CG2-CE1 3.65Å; T145-F148 HydrophobicContact CG2-CE2 3.82Å; T145-F148 HydrophobicContact CG2-CZ 3.42Å; T145-F148 VanDerWaalsContact CG2-CZ 3.42Å; T145-F148 PolarHBondContact N-O 2.85Å; T145-F148 WeakPolarHBondContact OG1-CD1 3.37Å; T145-F148 VanDerWaalsContact OG1-CE1 3.25Å; T145-F148 WeakPolarHBondContact OG1-CE1 3.49Å; T145-F148 WeakPolarHBondContact OG1-CG 3.21Å; T145-F148 PolarHBondContact OG1-N 3.2Å; T145-F148 VanDerWaalsContact OG1-N 3.09Å; T145-F148 PolarHBondContact OG1-O 2.59Å; F148-F170 HydrophobicContact CB-CE2 4.09Å; F148-F170 HydrophobicContact CB-CZ 3.9Å; F148-F170 HydrophobicContact CD2-CD2 4.12Å; F148-F170 AromaticContact CD2-CE2 3.33Å; F148-F170 HydrophobicContact CD2-CE2 3.33Å; F148-F170 AromaticContact CD2-CZ 3.98Å; F148-F170 HydrophobicContact CD2-CZ 3.98Å; F148-F170 AromaticContact CE2-CE2 3.87Å; F148-F170 HydrophobicContact CE2-CE2 3.87Å; F148-F170 AromaticContact CG-CE2 3.79Å; F148-F170 HydrophobicContact CG-CE2 3.79Å; F148-F170 AromaticContact CG-CZ 3.94Å; F148-F170 HydrophobicContact CG-CZ 3.94Å; F148-L171 CarbonylContact C-O 3.54Å; F148-L171 WeakPolarHBondContact CA-O 3.4Å; F148-L171 WeakPolarHBondContact CB-O 3.35Å; F148-R172 HydrophobicContact CB-CB 3.88Å; F148-R172 HydrophobicContact CB-CG 4.15Å |
| 149 | T | 97.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.4 | 170.4 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | N30 G32 L33 Y143 R144 F170 L171 | N30-T149 PolarHBondContact ND2-OG1 3.04Å; N30-T149 PolarHBondContact OD1-OG1 3.43Å; G32-T149 WeakPolarHBondContact O-CB 3.34Å; G32-T149 PolarHBondContact O-OG1 3.06Å; L33-T149 HydrophobicContact CD2-CG2 3.61Å; L33-T149 HydrophobicContact CG-CG2 4.4Å; Y143-T149 WeakPolarHBondContact O-CA 3.43Å; R144-T149 HydrophobicContact CG-CG2 3.83Å; T149-F170 WeakPolarHBondContact O-CA 3.32Å; T149-L171 PolarHBondContact N-O 3.24Å; T149-L171 PolarHBondContact O-N 3.03Å |
| 150 | A | 98.3 | Very high | 95 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | E142 Y143 S169 F170 | E142-A150 CarbonylContact C-O 3.51Å; E142-A150 WeakPolarHBondContact CA-O 3.34Å; Y143-A150 PolarHBondContact N-O 2.82Å; Y143-A150 PolarHBondContact O-N 2.82Å; A150-S169 CarbonylContact C-O 3.51Å; A150-S169 VanDerWaalsContact CA-O 3.28Å; A150-S169 WeakPolarHBondContact CA-O 3.26Å; A150-F170 HydrophobicContact CB-CD2 4.07Å |
| 151 | S | 97.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.9 | 167.3 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | T141 C168 S169 | T141-S151 CarbonylContact O-C 3.4Å; T141-S151 WeakPolarHBondContact O-CA 3.43Å; S151-C168 CarbonylContact O-C 3.52Å; S151-C168 WeakPolarHBondContact O-CA 3.41Å; S151-S169 PolarHBondContact N-O 2.84Å; S151-S169 PolarHBondContact O-N 2.85Å; S151-S169 PolarHBondContact OG-OG 2.88Å |
| 152 | A | 98.2 | Very high | 94 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 128.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T140 T141 T167 | T140-A152 CarbonylContact C-O 3.57Å; T140-A152 WeakPolarHBondContact CA-O 3.49Å; T141-A152 PolarHBondContact N-O 3.32Å; T141-A152 PolarHBondContact O-N 3.49Å; A152-T167 CarbonylContact C-O 3.48Å; A152-T167 WeakPolarHBondContact CA-O 3.4Å |
| 153 | S | 97.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.1 | -178.3 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | L139 T140 L166 T167 | L139-S153 CarbonylContact O-C 3.59Å; L139-S153 WeakPolarHBondContact O-CA 3.38Å; T140-S153 WeakPolarHBondContact CB-OG 3.32Å; T140-S153 VanDerWaalsContact CG2-OG 3.28Å; T140-S153 WeakPolarHBondContact CG2-OG 3.24Å; T140-S153 WeakPolarHBondContact OG1-CB 3.46Å; T140-S153 PolarHBondContact OG1-OG 2.89Å; S153-L166 CarbonylContact O-C 3.56Å; S153-L166 WeakPolarHBondContact O-CA 3.28Å; S153-T167 PolarHBondContact N-O 2.89Å; S153-T167 PolarHBondContact O-N 3.02Å |
| 154 | L | 97 | Very high | 93.6 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.4 | 168.6 | -67.1 | 171.1 | 0 | 0 | 0 | 108.1 | Q138 L139 I157 L166 | Q138-L154 CarbonylContact C-O 3.6Å; Q138-L154 VanDerWaalsContact CA-O 3.26Å; Q138-L154 WeakPolarHBondContact CA-O 3.35Å; L139-L154 PolarHBondContact N-O 2.79Å; L139-L154 PolarHBondContact O-N 2.76Å; L154-I157 HydrophobicContact CB-CD1 4.21Å; L154-I157 HydrophobicContact CB-CG1 3.84Å; L154-I157 HydrophobicContact CD2-CD1 3.93Å; L154-I157 HydrophobicContact CD2-CG1 4.21Å; L154-I157 HydrophobicContact CG-CG1 4.48Å; L154-L166 HydrophobicContact CD2-CB 4.34Å; L154-L166 HydrophobicContact CD2-CD1 3.72Å; L154-L166 HydrophobicContact CG-CD1 4.39Å |
| 155 | V | 95.9 | Very high | 93.6 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 21% | 0.212 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.4 | -175.9 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | Q138 I157 C165 | Q138-V155 HydrophobicContact CB-CG2 4.35Å; Q138-V155 HydrophobicContact CG-CG2 3.95Å; V155-I157 VanDerWaalsContact C-N 3.3Å; V155-I157 PolarHBondContact O-N 2.9Å; V155-C165 HydrophobicContact CB-CB 4.24Å; V155-C165 PolarHBondContact N-O 2.85Å; V155-C165 PolarHBondContact O-N 3.43Å |
| 156 | N | 92.6 | Very high | 93.7 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49 | 47.1 | 175.3 | -61.6 | -15 | 0 | 0 | 0 | 113.2 | G136 V137 D158 G164 | G136-N156 WeakPolarHBondContact CA-OD1 3.2Å; V137-N156 PolarHBondContact N-OD1 2.81Å; V137-N156 PolarHBondContact O-N 2.9Å; V137-N156 PolarHBondContact O-OD1 2.82Å; N156-D158 PolarHBondContact O-N 2.85Å; N156-G164 WeakPolarHBondContact O-CA 3.22Å |
| 157 | I | 91 | Very high | 93.8 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 114.2 | 176.4 | -54.1 | -57.5 | 0 | 0 | 0 | 109 | L154 V155 L159 Y188 | L154-I157 HydrophobicContact CB-CD1 4.21Å; L154-I157 HydrophobicContact CB-CG1 3.84Å; L154-I157 HydrophobicContact CD2-CD1 3.93Å; L154-I157 HydrophobicContact CD2-CG1 4.21Å; L154-I157 HydrophobicContact CG-CG1 4.48Å; V155-I157 VanDerWaalsContact C-N 3.3Å; V155-I157 PolarHBondContact O-N 2.9Å; I157-L159 HydrophobicContact CG2-CD2 4.25Å; I157-L159 HydrophobicContact CG2-CG 4.45Å; I157-Y188 HydrophobicContact CD1-CE1 4.42Å |
| 158 | D | 88.7 | Confident | 93.9 | Very high | 50 Ų | 50 | 54 Ų | 54 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 105.1 | 175.2 | -169.3 | -23.2 | 0 | 0 | 0 | 108.9 | N156 V160 N161 E162 S163 | N156-D158 PolarHBondContact O-N 2.85Å; D158-V160 VanDerWaalsContact C-N 3.3Å; D158-V160 WeakPolarHBondContact OD1-CA 3.05Å; D158-V160 WeakPolarHBondContact OD1-CB 3.38Å; D158-V160 PolarHBondContact OD1-N 2.83Å; D158-N161 HydrophobicContact CB-CB 4.43Å; D158-N161 PolarHBondContact OD1-N 3.35Å; D158-N161 WeakPolarHBondContact OD2-CB 3.24Å; D158-N161 PolarHBondContact OD2-ND2 2.84Å; D158-E162 WeakPolarHBondContact O-CA 3.42Å; D158-E162 PolarHBondContact O-N 2.99Å; D158-E162 VanDerWaalsContact O-N 3.12Å; D158-S163 WeakPolarHBondContact CA-O 3.35Å; D158-S163 PolarHBondContact N-O 2.82Å; D158-S163 PolarHBondContact O-N 2.69Å |
| 159 | L | 84.3 | Confident | 94 | Very high | 147 Ų | 147 | 51.5 Ų | 51.5 | 77% | 0.77 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -21.5 | 178.5 | -63 | 175.4 | 0 | 0 | 0 | 112.4 | I157 | I157-L159 HydrophobicContact CG2-CD2 4.25Å; I157-L159 HydrophobicContact CG2-CG 4.45Å |
| 160 | V | 87.6 | Confident | 94 | Very high | 127 Ų | 127 | 54.5 Ų | 54.5 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -45.9 | -177.8 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | D158 E162 | D158-V160 VanDerWaalsContact C-N 3.3Å; D158-V160 WeakPolarHBondContact OD1-CA 3.05Å; D158-V160 WeakPolarHBondContact OD1-CB 3.38Å; D158-V160 PolarHBondContact OD1-N 2.83Å; V160-E162 VanDerWaalsContact C-N 3.28Å |
| 161 | N | 87.1 | Confident | 94 | Very high | 100 Ų | 100 | 53.1 Ų | 53.1 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 2.9 | 177.4 | -65.4 | -51 | 0 | 0 | 0 | 113.3 | D158 S163 | D158-N161 HydrophobicContact CB-CB 4.43Å; D158-N161 PolarHBondContact OD1-N 3.35Å; D158-N161 WeakPolarHBondContact OD2-CB 3.24Å; D158-N161 PolarHBondContact OD2-ND2 2.84Å; N161-S163 VanDerWaalsContact C-N 3.35Å; N161-S163 PolarHBondContact O-N 3.13Å |
| 162 | E | 88.4 | Confident | 94 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 55.7 | -176.9 | -65.6 | 171.4 | -169.9 | 0 | 0 | 111.5 | D158 V160 Y188 A189 R190 | D158-E162 WeakPolarHBondContact O-CA 3.42Å; D158-E162 PolarHBondContact O-N 2.99Å; D158-E162 VanDerWaalsContact O-N 3.12Å; V160-E162 VanDerWaalsContact C-N 3.28Å; E162-Y188 HydrophobicContact CB-CE2 4.47Å; E162-Y188 VanDerWaalsContact O-CD2 3.32Å; E162-Y188 WeakPolarHBondContact O-CD2 3.32Å; E162-Y188 WeakPolarHBondContact O-CE2 3.2Å; E162-A189 WeakPolarHBondContact O-CA 3.43Å; E162-R190 HydrophobicContact CB-CG 4.4Å; E162-R190 IonicContact OE1-CZ 2.84Å; E162-R190 IonicContact OE1-NH2 2.76Å; E162-R190 PolarHBondContact OE1-NH2 2.68Å; E162-R190 IonicContact OE2-CZ 3.13Å; E162-R190 IonicContact OE2-NE 2.65Å; E162-R190 PolarHBondContact OE2-NE 2.71Å; E162-R190 IonicContact OE2-NH2 3.55Å; E162-R190 PolarHBondContact OE2-NH2 3.09Å |
| 163 | S | 92.4 | Very high | 94 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.9 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 113 | D158 N161 Y188 | D158-S163 WeakPolarHBondContact CA-O 3.35Å; D158-S163 PolarHBondContact N-O 2.82Å; D158-S163 PolarHBondContact O-N 2.69Å; N161-S163 VanDerWaalsContact C-N 3.35Å; N161-S163 PolarHBondContact O-N 3.13Å; S163-Y188 CarbonylContact C-O 3.59Å; S163-Y188 VanDerWaalsContact CA-O 3.22Å; S163-Y188 WeakPolarHBondContact CA-O 3.19Å; S163-Y188 PolarHBondContact O-OH 2.86Å |
| 164 | G | 93.8 | Very high | 94 | Very high | 7 Ų | 7 | 62.9 Ų | 62.9 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169 | 165.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N156 Y188 | N156-G164 WeakPolarHBondContact O-CA 3.22Å; G164-Y188 PolarHBondContact N-O 2.84Å; G164-Y188 WeakPolarHBondContact O-CD1 3.46Å; G164-Y188 PolarHBondContact O-N 3.33Å |
| 165 | C | 95.1 | Very high | 93.9 | Very high | 29 Ų | 29 | 62 Ų | 62 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.2 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | V155 Y186 Q187 | V155-C165 HydrophobicContact CB-CB 4.24Å; V155-C165 PolarHBondContact N-O 2.85Å; V155-C165 PolarHBondContact O-N 3.43Å; C165-Y186 CarbonylContact C-O 3.54Å; C165-Y186 WeakPolarHBondContact CA-O 3.44Å; C165-Q187 HydrophobicContact CB-CG 4.47Å |
| 166 | L | 96.5 | Very high | 93.8 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 31% | 0.314 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.6 | 170.8 | 171.6 | 64.9 | 0 | 0 | 0 | 107.9 | S153 L154 Y186 | S153-L166 CarbonylContact O-C 3.56Å; S153-L166 WeakPolarHBondContact O-CA 3.28Å; L154-L166 HydrophobicContact CD2-CB 4.34Å; L154-L166 HydrophobicContact CD2-CD1 3.72Å; L154-L166 HydrophobicContact CG-CD1 4.39Å; L166-Y186 PolarHBondContact N-O 3.14Å; L166-Y186 PolarHBondContact O-N 2.85Å |
| 167 | T | 96.9 | Very high | 94 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 17% | 0.166 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.7 | 170.7 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | A152 S153 E183 C184 | A152-T167 CarbonylContact C-O 3.48Å; A152-T167 WeakPolarHBondContact CA-O 3.4Å; S153-T167 PolarHBondContact N-O 2.89Å; S153-T167 PolarHBondContact O-N 3.02Å; T167-E183 HydrophobicContact CG2-CG 4.06Å; T167-C184 CarbonylContact C-O 3.56Å; T167-C184 WeakPolarHBondContact CA-O 3.28Å |
| 168 | C | 98.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 64 Ų | 64 | 32% | 0.324 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128 | 176.2 | -67.2 | 0 | 0 | 0 | 0 | 108.7 | S151 E183 C184 | S151-C168 CarbonylContact O-C 3.52Å; S151-C168 WeakPolarHBondContact O-CA 3.41Å; C168-E183 CarbonylContact O-C 3.6Å; C168-E183 WeakPolarHBondContact O-CA 3.35Å; C168-C184 PolarHBondContact N-O 3Å; C168-C184 PolarHBondContact O-N 2.9Å |
| 169 | S | 98 | Very high | 94.8 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.4 | 174 | 84.2 | 0 | 0 | 0 | 0 | 111.9 | A150 S151 L182 | A150-S169 CarbonylContact C-O 3.51Å; A150-S169 VanDerWaalsContact CA-O 3.28Å; A150-S169 WeakPolarHBondContact CA-O 3.26Å; S151-S169 PolarHBondContact N-O 2.84Å; S151-S169 PolarHBondContact O-N 2.85Å; S151-S169 PolarHBondContact OG-OG 2.88Å; S169-L182 WeakPolarHBondContact CA-O 3.14Å |
| 170 | F | 98.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 29% | 0.285 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 125.6 | 174.8 | -178.8 | -93.3 | 0 | 0 | 0 | 108.9 | F148 T149 A150 R172 G181 L182 | F148-F170 HydrophobicContact CB-CE2 4.09Å; F148-F170 HydrophobicContact CB-CZ 3.9Å; F148-F170 HydrophobicContact CD2-CD2 4.12Å; F148-F170 AromaticContact CD2-CE2 3.33Å; F148-F170 HydrophobicContact CD2-CE2 3.33Å; F148-F170 AromaticContact CD2-CZ 3.98Å; F148-F170 HydrophobicContact CD2-CZ 3.98Å; F148-F170 AromaticContact CE2-CE2 3.87Å; F148-F170 HydrophobicContact CE2-CE2 3.87Å; F148-F170 AromaticContact CG-CE2 3.79Å; F148-F170 HydrophobicContact CG-CE2 3.79Å; F148-F170 AromaticContact CG-CZ 3.94Å; F148-F170 HydrophobicContact CG-CZ 3.94Å; T149-F170 WeakPolarHBondContact O-CA 3.32Å; A150-F170 HydrophobicContact CB-CD2 4.07Å; F170-R172 HydrophobicContact CD1-CB 4.49Å; F170-R172 HydrophobicContact CE1-CB 3.63Å; F170-R172 HydrophobicContact CZ-CB 4.04Å; F170-G181 CarbonylContact O-C 3.53Å; F170-G181 WeakPolarHBondContact O-CA 3.2Å; F170-L182 HydrophobicContact CB-CD1 4.15Å; F170-L182 HydrophobicContact CB-CG 4.25Å; F170-L182 PolarHBondContact N-O 2.78Å; F170-L182 PolarHBondContact O-N 2.84Å |
| 171 | L | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127 | 176.5 | -175.5 | 66.8 | 0 | 0 | 0 | 109.3 | P31 I37 F148 T149 D179 | P31-L171 HydrophobicContact CB-CD2 3.79Å; P31-L171 HydrophobicContact CB-CG 3.89Å; P31-L171 HydrophobicContact CG-CB 4.4Å; P31-L171 HydrophobicContact CG-CD2 4.22Å; P31-L171 HydrophobicContact CG-CG 3.95Å; P31-L171 WeakPolarHBondContact CG-O 3.29Å; I37-L171 HydrophobicContact CD1-CD1 4.49Å; F148-L171 CarbonylContact C-O 3.54Å; F148-L171 WeakPolarHBondContact CA-O 3.4Å; F148-L171 WeakPolarHBondContact CB-O 3.35Å; T149-L171 PolarHBondContact N-O 3.24Å; T149-L171 PolarHBondContact O-N 3.03Å; L171-D179 HydrophobicContact CD1-CB 4.11Å; L171-D179 HydrophobicContact CG-CB 4.44Å |
| 172 | R | 98.1 | Very high | 96.5 | Very high | 120 Ų | 120 | 49.4 Ų | 49.4 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.1 | -177.2 | 174.4 | 172.4 | -178.4 | 142.8 | 0.8 | 111 | L147 F148 F170 V174 D179 A180 | L147-R172 WeakPolarHBondContact O-CA 3.42Å; F148-R172 HydrophobicContact CB-CB 3.88Å; F148-R172 HydrophobicContact CB-CG 4.15Å; F170-R172 HydrophobicContact CD1-CB 4.49Å; F170-R172 HydrophobicContact CE1-CB 3.63Å; F170-R172 HydrophobicContact CZ-CB 4.04Å; R172-V174 PolarHBondContact O-N 2.89Å; R172-D179 CarbonylContact O-C 3.58Å; R172-D179 VanDerWaalsContact O-CA 3.28Å; R172-D179 WeakPolarHBondContact O-CA 3.39Å; R172-A180 PolarHBondContact N-O 3.05Å; R172-A180 PolarHBondContact O-N 3.22Å |
| 173 | R | 97.7 | Very high | 97 | Very high | 46 Ų | 46 | 47 Ų | 47 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 113.2 | 164.1 | -173.6 | 152.9 | -66.2 | 158.9 | 11.1 | 109.9 | L29 L147 T175 D179 | L29-R173 PolarHBondContact O-NE 3.18Å; L29-R173 PolarHBondContact O-NH1 2.87Å; L147-R173 PolarHBondContact O-N 2.99Å; R173-T175 WeakPolarHBondContact CG-O 3.45Å; R173-D179 WeakPolarHBondContact CA-OD1 3.4Å; R173-D179 WeakPolarHBondContact CB-OD1 3.35Å; R173-D179 WeakPolarHBondContact CG-OD1 3.28Å; R173-D179 IonicContact CZ-OD1 3.6Å; R173-D179 IonicContact NE-OD1 2.88Å; R173-D179 PolarHBondContact NE-OD1 3.03Å; R173-D179 IonicContact NH2-OD1 3.43Å; R173-D179 PolarHBondContact NH2-OD1 3.24Å; R173-D179 IonicContact NH2-OD2 3.58Å |
| 174 | V | 97.2 | Very high | 97.2 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 56% | 0.558 | 26% | 0.262 | S | S | * | . | trans | -93.3 | -42.5 | -178.3 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | R172 I178 A180 | R172-V174 PolarHBondContact O-N 2.89Å; V174-I178 PolarHBondContact N-O 3.2Å; V174-A180 HydrophobicContact CG2-CB 3.68Å | ||
| 175 | T | 95.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 48.3 Ų | 48.3 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -129 | 170.6 | 172.3 | 77 | 0 | 0 | 0 | 0 | 108.9 | R173 N177 I178 | R173-T175 WeakPolarHBondContact CG-O 3.45Å; T175-N177 PolarHBondContact O-N 3.12Å; T175-N177 PolarHBondContact OG1-N 3.17Å; T175-I178 HydrophobicContact CG2-CB 4.44Å; T175-I178 HydrophobicContact CG2-CD1 4.36Å; T175-I178 PolarHBondContact N-O 3.21Å; T175-I178 VanDerWaalsContact N-O 3.13Å; T175-I178 PolarHBondContact O-N 3.21Å; T175-I178 VanDerWaalsContact OG1-CB 3.24Å; T175-I178 WeakPolarHBondContact OG1-CB 3.44Å; T175-I178 WeakPolarHBondContact OG1-CG1 3.12Å; T175-I178 PolarHBondContact OG1-N 3.04Å |
| 176 | P | 94.5 | Very high | 97.4 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -52.8 | -29.6 | 178.8 | -29.1 | 37.3 | 0 | 0 | 0 | 114.3 | ||
| 177 | N | 96.2 | Very high | 97.3 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -116.4 | -6.5 | -173.8 | -56.4 | -14.1 | 0 | 0 | 0 | 113 | T175 Y206 T207 E208 | T175-N177 PolarHBondContact O-N 3.12Å; T175-N177 PolarHBondContact OG1-N 3.17Å; N177-Y206 HydrophobicContact CB-CD2 4.01Å; N177-Y206 HydrophobicContact CB-CE2 3.74Å; N177-Y206 CarbonylContact O-C 3.12Å; N177-Y206 VanDerWaalsContact O-CA 3.22Å; N177-Y206 WeakPolarHBondContact O-CA 3.33Å; N177-Y206 WeakPolarHBondContact O-CD2 3.39Å; N177-T207 WeakPolarHBondContact CB-O 3.26Å; N177-T207 PolarHBondContact O-N 3.29Å; N177-E208 HydrophobicContact CB-CG 4.06Å; N177-E208 WeakPolarHBondContact ND2-CG 3.34Å; N177-E208 PolarHBondContact ND2-OE1 2.76Å |
| 178 | I | 97.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.4 | -177.8 | -58.3 | 169.5 | 0 | 0 | 0 | 110.3 | V174 T175 R205 Y206 | V174-I178 PolarHBondContact N-O 3.2Å; T175-I178 HydrophobicContact CG2-CB 4.44Å; T175-I178 HydrophobicContact CG2-CD1 4.36Å; T175-I178 PolarHBondContact N-O 3.21Å; T175-I178 VanDerWaalsContact N-O 3.13Å; T175-I178 PolarHBondContact O-N 3.21Å; T175-I178 VanDerWaalsContact OG1-CB 3.24Å; T175-I178 WeakPolarHBondContact OG1-CB 3.44Å; T175-I178 WeakPolarHBondContact OG1-CG1 3.12Å; T175-I178 PolarHBondContact OG1-N 3.04Å; I178-R205 CarbonylContact C-O 3.59Å; I178-R205 WeakPolarHBondContact CA-O 3.19Å; I178-Y206 HydrophobicContact CG1-CD2 3.81Å |
| 179 | D | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.9 | 166.9 | -51 | -47.8 | 0 | 0 | 0 | 109.2 | P31 L171 R172 R173 L204 R205 | P31-D179 HydrophobicContact CB-CB 4.04Å; L171-D179 HydrophobicContact CD1-CB 4.11Å; L171-D179 HydrophobicContact CG-CB 4.44Å; R172-D179 CarbonylContact O-C 3.58Å; R172-D179 VanDerWaalsContact O-CA 3.28Å; R172-D179 WeakPolarHBondContact O-CA 3.39Å; R173-D179 WeakPolarHBondContact CA-OD1 3.4Å; R173-D179 WeakPolarHBondContact CB-OD1 3.35Å; R173-D179 WeakPolarHBondContact CG-OD1 3.28Å; R173-D179 IonicContact CZ-OD1 3.6Å; R173-D179 IonicContact NE-OD1 2.88Å; R173-D179 PolarHBondContact NE-OD1 3.03Å; R173-D179 IonicContact NH2-OD1 3.43Å; R173-D179 PolarHBondContact NH2-OD1 3.24Å; R173-D179 IonicContact NH2-OD2 3.58Å; D179-L204 CarbonylContact O-C 3.54Å; D179-L204 WeakPolarHBondContact O-CA 3.24Å; D179-R205 HydrophobicContact CB-CB 4.37Å; D179-R205 PolarHBondContact N-O 3.37Å; D179-R205 PolarHBondContact O-N 2.78Å; D179-R205 IonicContact OD2-CZ 2.64Å; D179-R205 IonicContact OD2-NE 3.03Å; D179-R205 PolarHBondContact OD2-NE 3.43Å; D179-R205 VanDerWaalsContact OD2-NE 3.13Å; D179-R205 IonicContact OD2-NH2 2.68Å; D179-R205 PolarHBondContact OD2-NH2 2.86Å |
| 180 | A | 98.5 | Very high | 96.2 | Very high | 28 Ų | 28 | 60 Ų | 60 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R172 V174 A203 L204 | R172-A180 PolarHBondContact N-O 3.05Å; R172-A180 PolarHBondContact O-N 3.22Å; V174-A180 HydrophobicContact CG2-CB 3.68Å; A180-A203 CarbonylContact C-O 3.55Å; A180-A203 WeakPolarHBondContact CA-O 3.41Å; A180-L204 HydrophobicContact CB-CD2 3.61Å |
| 181 | G | 98.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 172.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | F170 A203 | F170-G181 CarbonylContact O-C 3.53Å; F170-G181 WeakPolarHBondContact O-CA 3.2Å; G181-A203 PolarHBondContact N-O 3.42Å; G181-A203 PolarHBondContact O-N 3.43Å |
| 182 | L | 98.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 65.7 Ų | 65.7 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.5 | 178.5 | 54.6 | 94 | 0 | 0 | 0 | 109.3 | S169 F170 L200 N201 | S169-L182 WeakPolarHBondContact CA-O 3.14Å; F170-L182 HydrophobicContact CB-CD1 4.15Å; F170-L182 HydrophobicContact CB-CG 4.25Å; F170-L182 PolarHBondContact N-O 2.78Å; F170-L182 PolarHBondContact O-N 2.84Å; L182-L200 HydrophobicContact CB-CD1 4.31Å; L182-N201 CarbonylContact C-O 3.5Å; L182-N201 VanDerWaalsContact CA-O 3.27Å; L182-N201 WeakPolarHBondContact CA-O 3.36Å |
| 183 | E | 97.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 66 Ų | 66 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121 | 177.5 | -178.4 | -177.4 | -172.6 | 0 | 0 | 108 | I34 T167 C168 L200 N201 | I34-E183 HydrophobicContact CD1-CB 3.86Å; I34-E183 HydrophobicContact CG2-CB 4.5Å; T167-E183 HydrophobicContact CG2-CG 4.06Å; C168-E183 CarbonylContact O-C 3.6Å; C168-E183 WeakPolarHBondContact O-CA 3.35Å; E183-L200 CarbonylContact O-C 3.57Å; E183-L200 WeakPolarHBondContact O-CA 3.19Å; E183-N201 HydrophobicContact CB-CB 4.35Å; E183-N201 PolarHBondContact N-O 3.49Å; E183-N201 PolarHBondContact O-N 2.87Å |
| 184 | C | 97.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 67.6 Ų | 67.6 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.6 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | T167 C168 I199 L200 | T167-C184 CarbonylContact C-O 3.56Å; T167-C184 WeakPolarHBondContact CA-O 3.28Å; C168-C184 PolarHBondContact N-O 3Å; C168-C184 PolarHBondContact O-N 2.9Å; C184-I199 CarbonylContact C-O 3.56Å; C184-I199 WeakPolarHBondContact CA-O 3.32Å; C184-L200 HydrophobicContact CB-CD1 4.06Å |
| 185 | A | 96.3 | Very high | 93.7 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | S198 I199 | A185-S198 CarbonylContact O-C 3.5Å; A185-S198 VanDerWaalsContact O-CA 3.24Å; A185-S198 WeakPolarHBondContact O-CA 3.48Å; A185-S198 PolarHBondContact O-OG 2.96Å; A185-I199 PolarHBondContact N-O 2.88Å; A185-I199 PolarHBondContact O-N 2.84Å |
| 186 | Y | 95.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 67.8 Ų | 67.8 | 30% | 0.302 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.5 | 176.9 | 175.3 | -96.7 | 0 | 0 | 0 | 109.1 | C165 L166 Y188 Q196 | C165-Y186 CarbonylContact C-O 3.54Å; C165-Y186 WeakPolarHBondContact CA-O 3.44Å; L166-Y186 PolarHBondContact N-O 3.14Å; L166-Y186 PolarHBondContact O-N 2.85Å; Y186-Y188 HydrophobicContact CE1-CD1 4.31Å; Y186-Q196 HydrophobicContact CE2-CB 3.87Å; Y186-Q196 HydrophobicContact CE2-CG 4.44Å; Y186-Q196 WeakPolarHBondContact OH-CB 3.07Å; Y186-Q196 PolarHBondContact OH-OE1 2.99Å |
| 187 | Q | 95 | Very high | 93.4 | Very high | 92 Ų | 92 | 67.2 Ų | 67.2 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.2 | 177.5 | -168.7 | 177.7 | 8.5 | 0 | 0 | 109.2 | C165 I192 Q196 F197 | C165-Q187 HydrophobicContact CB-CG 4.47Å; Q187-I192 HydrophobicContact CB-CD1 4.08Å; Q187-I192 HydrophobicContact CG-CD1 3.69Å; Q187-Q196 CarbonylContact O-C 3.51Å; Q187-Q196 VanDerWaalsContact O-CA 3.3Å; Q187-Q196 WeakPolarHBondContact O-CA 3.44Å; Q187-F197 PolarHBondContact N-O 3.32Å; Q187-F197 PolarHBondContact O-N 2.79Å |
| 188 | Y | 92.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 67.6 Ų | 67.6 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 135 | 168.9 | 77.8 | -82.9 | 0 | 0 | 0 | 108.7 | I157 E162 S163 G164 Y186 G195 | I157-Y188 HydrophobicContact CD1-CE1 4.42Å; E162-Y188 HydrophobicContact CB-CE2 4.47Å; E162-Y188 VanDerWaalsContact O-CD2 3.32Å; E162-Y188 WeakPolarHBondContact O-CD2 3.32Å; E162-Y188 WeakPolarHBondContact O-CE2 3.2Å; S163-Y188 CarbonylContact C-O 3.59Å; S163-Y188 VanDerWaalsContact CA-O 3.22Å; S163-Y188 WeakPolarHBondContact CA-O 3.19Å; S163-Y188 PolarHBondContact O-OH 2.86Å; G164-Y188 PolarHBondContact N-O 2.84Å; G164-Y188 WeakPolarHBondContact O-CD1 3.46Å; G164-Y188 PolarHBondContact O-N 3.33Å; Y186-Y188 HydrophobicContact CE1-CD1 4.31Å; Y188-G195 WeakPolarHBondContact CA-O 3.28Å |
| 189 | A | 91.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | trans | -167.8 | 143.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E162 I191 I192 G195 | E162-A189 WeakPolarHBondContact O-CA 3.43Å; A189-I191 HydrophobicContact CB-CG2 4.07Å; A189-I191 PolarHBondContact O-N 2.79Å; A189-I191 VanDerWaalsContact O-N 3.1Å; A189-I192 HydrophobicContact CB-CD1 3.92Å; A189-I192 HydrophobicContact CB-CG1 4.12Å; A189-I192 WeakPolarHBondContact O-CB 3.46Å; A189-I192 PolarHBondContact O-N 2.74Å; A189-G195 PolarHBondContact N-O 2.81Å | ||
| 190 | R | 86.5 | Confident | 93.1 | Very high | 179 Ų | 179 | 69.2 Ų | 69.2 | 68% | 0.675 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.4 | 177.5 | -70.3 | -178.3 | 170.3 | -139.4 | 1.3 | 114.4 | E162 I192 | E162-R190 HydrophobicContact CB-CG 4.4Å; E162-R190 IonicContact OE1-CZ 2.84Å; E162-R190 IonicContact OE1-NH2 2.76Å; E162-R190 PolarHBondContact OE1-NH2 2.68Å; E162-R190 IonicContact OE2-CZ 3.13Å; E162-R190 IonicContact OE2-NE 2.65Å; E162-R190 PolarHBondContact OE2-NE 2.71Å; E162-R190 IonicContact OE2-NH2 3.55Å; E162-R190 PolarHBondContact OE2-NH2 3.09Å; R190-I192 VanDerWaalsContact C-N 3.32Å |
| 191 | I | 87.2 | Confident | 93 | Very high | 157 Ų | 157 | 69.8 Ų | 69.8 | 81% | 0.805 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18.5 | 179.8 | -164.8 | 161.9 | 0 | 0 | 0 | 113.3 | A189 | A189-I191 HydrophobicContact CB-CG2 4.07Å; A189-I191 PolarHBondContact O-N 2.79Å; A189-I191 VanDerWaalsContact O-N 3.1Å |
| 192 | I | 87.9 | Confident | 93 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -76.5 | 129.7 | 178.9 | -65.6 | 168.9 | 0 | 0 | 0 | 108.3 | Q187 A189 R190 G194 G195 F197 | Q187-I192 HydrophobicContact CB-CD1 4.08Å; Q187-I192 HydrophobicContact CG-CD1 3.69Å; A189-I192 HydrophobicContact CB-CD1 3.92Å; A189-I192 HydrophobicContact CB-CG1 4.12Å; A189-I192 WeakPolarHBondContact O-CB 3.46Å; A189-I192 PolarHBondContact O-N 2.74Å; R190-I192 VanDerWaalsContact C-N 3.32Å; I192-G194 PolarHBondContact O-N 2.82Å; I192-G194 VanDerWaalsContact O-N 3.13Å; I192-G195 WeakPolarHBondContact O-CA 3.34Å; I192-G195 PolarHBondContact O-N 2.86Å; I192-F197 HydrophobicContact CD1-CB 4.32Å; I192-F197 HydrophobicContact CG2-CB 3.91Å |
| 193 | P | 84.4 | Confident | 93 | Very high | 126 Ų | 126 | 71.2 Ų | 71.2 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 119.2 | 172.8 | -25.2 | 34.7 | 0 | 0 | 0 | 111.1 | ||
| 194 | G | 87.4 | Confident | 93.1 | Very high | 80 Ų | 80 | 72.8 Ų | 72.8 | 83% | 0.825 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 2.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I192 Q196 | I192-G194 PolarHBondContact O-N 2.82Å; I192-G194 VanDerWaalsContact O-N 3.13Å; G194-Q196 PolarHBondContact O-N 2.8Å |
| 195 | G | 89.6 | Confident | 93.1 | Very high | 32 Ų | 32 | 72.4 Ų | 72.4 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 80 | -13.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y188 A189 I192 | Y188-G195 WeakPolarHBondContact CA-O 3.28Å; A189-G195 PolarHBondContact N-O 2.81Å; I192-G195 WeakPolarHBondContact O-CA 3.34Å; I192-G195 PolarHBondContact O-N 2.86Å |
| 196 | Q | 91.9 | Very high | 93.2 | Very high | 118 Ų | 118 | 74.2 Ų | 74.2 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 152.5 | -175.3 | 65.7 | -174.8 | 21.1 | 0 | 0 | 112.3 | Y186 Q187 G194 | Y186-Q196 HydrophobicContact CE2-CB 3.87Å; Y186-Q196 HydrophobicContact CE2-CG 4.44Å; Y186-Q196 WeakPolarHBondContact OH-CB 3.07Å; Y186-Q196 PolarHBondContact OH-OE1 2.99Å; Q187-Q196 CarbonylContact O-C 3.51Å; Q187-Q196 VanDerWaalsContact O-CA 3.3Å; Q187-Q196 WeakPolarHBondContact O-CA 3.44Å; G194-Q196 PolarHBondContact O-N 2.8Å |
| 197 | F | 92.5 | Very high | 93.2 | Very high | 99 Ų | 99 | 72.2 Ų | 72.2 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 139.1 | 177.5 | 177.9 | -108.5 | 0 | 0 | 0 | 109.9 | Q187 I192 I199 | Q187-F197 PolarHBondContact N-O 3.32Å; Q187-F197 PolarHBondContact O-N 2.79Å; I192-F197 HydrophobicContact CD1-CB 4.32Å; I192-F197 HydrophobicContact CG2-CB 3.91Å; F197-I199 HydrophobicContact CD1-CG1 4.36Å; F197-I199 HydrophobicContact CE1-CD1 3.33Å; F197-I199 HydrophobicContact CE1-CG1 3.42Å; F197-I199 VanDerWaalsContact CE1-CG1 3.42Å; F197-I199 HydrophobicContact CE2-CG1 4.49Å; F197-I199 HydrophobicContact CZ-CD1 3.55Å; F197-I199 HydrophobicContact CZ-CG1 3.49Å; F197-I199 VanDerWaalsContact CZ-CG1 3.49Å |
| 198 | S | 93.6 | Very high | 93.1 | Very high | 67 Ų | 67 | 72.3 Ų | 72.3 | 47% | 0.469 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.9 | -179.7 | -164.5 | 0 | 0 | 0 | 0 | 111 | A185 | A185-S198 CarbonylContact O-C 3.5Å; A185-S198 VanDerWaalsContact O-CA 3.24Å; A185-S198 WeakPolarHBondContact O-CA 3.48Å; A185-S198 PolarHBondContact O-OG 2.96Å |
| 199 | I | 94.5 | Very high | 93.1 | Very high | 36 Ų | 36 | 76.2 Ų | 76.2 | 19% | 0.185 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.3 | 171.1 | -66.3 | 174.5 | 0 | 0 | 0 | 108.6 | C184 A185 F197 N201 M219 | C184-I199 CarbonylContact C-O 3.56Å; C184-I199 WeakPolarHBondContact CA-O 3.32Å; A185-I199 PolarHBondContact N-O 2.88Å; A185-I199 PolarHBondContact O-N 2.84Å; F197-I199 HydrophobicContact CD1-CG1 4.36Å; F197-I199 HydrophobicContact CE1-CD1 3.33Å; F197-I199 HydrophobicContact CE1-CG1 3.42Å; F197-I199 VanDerWaalsContact CE1-CG1 3.42Å; F197-I199 HydrophobicContact CE2-CG1 4.49Å; F197-I199 HydrophobicContact CZ-CD1 3.55Å; F197-I199 HydrophobicContact CZ-CG1 3.49Å; F197-I199 VanDerWaalsContact CZ-CG1 3.49Å; I199-N201 WeakPolarHBondContact CG2-OD1 3.46Å; I199-M219 HydrophobicContact CD1-CG 3.96Å; I199-M219 HydrophobicContact CD1-SD 4.41Å |
| 200 | L | 97.1 | Very high | 93.4 | Very high | 65 Ų | 65 | 78.8 Ų | 78.8 | 34% | 0.34 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.9 | 169.7 | -177 | 67.8 | 0 | 0 | 0 | 109.3 | L182 E183 C184 Y202 P218 | L182-L200 HydrophobicContact CB-CD1 4.31Å; E183-L200 CarbonylContact O-C 3.57Å; E183-L200 WeakPolarHBondContact O-CA 3.19Å; C184-L200 HydrophobicContact CB-CD1 4.06Å; L200-Y202 HydrophobicContact CD2-CE1 4.3Å; L200-Y202 HydrophobicContact CD2-CE2 4.48Å; L200-Y202 WeakPolarHBondContact CD2-OH 3.26Å; L200-P218 WeakPolarHBondContact O-CD 3.28Å |
| 201 | N | 97.5 | Very high | 93.9 | Very high | 41 Ų | 41 | 70.4 Ų | 70.4 | 22% | 0.219 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 151.8 | 173.1 | -62.6 | -35.4 | 0 | 0 | 0 | 109.8 | L182 E183 I199 F216 | L182-N201 CarbonylContact C-O 3.5Å; L182-N201 VanDerWaalsContact CA-O 3.27Å; L182-N201 WeakPolarHBondContact CA-O 3.36Å; E183-N201 HydrophobicContact CB-CB 4.35Å; E183-N201 PolarHBondContact N-O 3.49Å; E183-N201 PolarHBondContact O-N 2.87Å; I199-N201 WeakPolarHBondContact CG2-OD1 3.46Å; N201-F216 CarbonylContact C-O 3.58Å; N201-F216 WeakPolarHBondContact CA-O 3.45Å |
| 202 | Y | 98.4 | Very high | 94.4 | Very high | 115 Ų | 115 | 66.8 Ų | 66.8 | 45% | 0.451 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.4 | 175 | -58.1 | -85.5 | 0 | 0 | 0 | 108.9 | L200 N215 F216 | L200-Y202 HydrophobicContact CD2-CE1 4.3Å; L200-Y202 HydrophobicContact CD2-CE2 4.48Å; L200-Y202 WeakPolarHBondContact CD2-OH 3.26Å; Y202-N215 CarbonylContact O-C 3.59Å; Y202-N215 VanDerWaalsContact O-CA 3.3Å; Y202-N215 WeakPolarHBondContact O-CA 3.28Å; Y202-F216 VanDerWaalsContact CB-CZ 3.44Å; Y202-F216 HydrophobicContact CD2-CD2 4.17Å; Y202-F216 AromaticContact CD2-CE2 3.83Å; Y202-F216 HydrophobicContact CD2-CE2 3.83Å; Y202-F216 AromaticContact CG-CE2 3.95Å; Y202-F216 HydrophobicContact CG-CE2 3.95Å; Y202-F216 HydrophobicContact CG-CZ 4.18Å; Y202-F216 PolarHBondContact N-O 2.85Å; Y202-F216 PolarHBondContact O-N 2.79Å |
| 203 | A | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.008 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I34 I37 A180 G181 S214 N215 | I34-A203 HydrophobicContact CD1-CB 3.43Å; I34-A203 VanDerWaalsContact CD1-CB 3.43Å; I34-A203 HydrophobicContact CG1-CB 3.61Å; I37-A203 HydrophobicContact CD1-CB 3.61Å; A180-A203 CarbonylContact C-O 3.55Å; A180-A203 WeakPolarHBondContact CA-O 3.41Å; G181-A203 PolarHBondContact N-O 3.42Å; G181-A203 PolarHBondContact O-N 3.43Å; A203-S214 CarbonylContact C-O 3.59Å; A203-S214 WeakPolarHBondContact CA-O 3.42Å; A203-N215 WeakPolarHBondContact CB-OD1 3.44Å |
| 204 | L | 98.4 | Very high | 95.6 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 40% | 0.398 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.8 | 174.4 | -65.5 | 172.1 | 0 | 0 | 0 | 109.3 | D179 A180 S213 S214 F216 | D179-L204 CarbonylContact O-C 3.54Å; D179-L204 WeakPolarHBondContact O-CA 3.24Å; A180-L204 HydrophobicContact CB-CD2 3.61Å; L204-S213 CarbonylContact O-C 3.56Å; L204-S213 VanDerWaalsContact O-CA 3.29Å; L204-S213 WeakPolarHBondContact O-CA 3.27Å; L204-S214 PolarHBondContact N-O 3.2Å; L204-S214 PolarHBondContact O-N 2.8Å; L204-F216 HydrophobicContact CD1-CE1 4.1Å; L204-F216 HydrophobicContact CD1-CZ 4.49Å; L204-F216 HydrophobicContact CG-CE1 4.31Å |
| 205 | R | 98.3 | Very high | 96 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 11% | 0.109 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 126.5 | 170.4 | -178.2 | 173.5 | 67.2 | -162 | 0.5 | 110.4 | P31 I37 I178 D179 F212 S213 | P31-R205 PolarHBondContact O-NH2 3.26Å; I37-R205 HydrophobicContact CD1-CB 3.93Å; I37-R205 HydrophobicContact CG1-CB 3.74Å; I37-R205 HydrophobicContact CG1-CG 4.39Å; I178-R205 CarbonylContact C-O 3.59Å; I178-R205 WeakPolarHBondContact CA-O 3.19Å; D179-R205 HydrophobicContact CB-CB 4.37Å; D179-R205 PolarHBondContact N-O 3.37Å; D179-R205 PolarHBondContact O-N 2.78Å; D179-R205 IonicContact OD2-CZ 2.64Å; D179-R205 IonicContact OD2-NE 3.03Å; D179-R205 PolarHBondContact OD2-NE 3.43Å; D179-R205 VanDerWaalsContact OD2-NE 3.13Å; D179-R205 IonicContact OD2-NH2 2.68Å; D179-R205 PolarHBondContact OD2-NH2 2.86Å; R205-F212 CarbonylContact C-O 3.6Å; R205-F212 VanDerWaalsContact CA-O 3.28Å; R205-F212 WeakPolarHBondContact CA-O 3.28Å; R205-S213 WeakPolarHBondContact CG-OG 3.4Å |
| 206 | Y | 98 | Very high | 96.4 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.8 | 167.1 | 178.3 | -108.8 | 0 | 0 | 0 | 109.4 | N177 I178 E208 F210 S211 F212 | N177-Y206 HydrophobicContact CB-CD2 4.01Å; N177-Y206 HydrophobicContact CB-CE2 3.74Å; N177-Y206 CarbonylContact O-C 3.12Å; N177-Y206 VanDerWaalsContact O-CA 3.22Å; N177-Y206 WeakPolarHBondContact O-CA 3.33Å; N177-Y206 WeakPolarHBondContact O-CD2 3.39Å; I178-Y206 HydrophobicContact CG1-CD2 3.81Å; Y206-E208 HydrophobicContact CE1-CG 4.14Å; Y206-E208 HydrophobicContact CE2-CG 4.17Å; Y206-E208 VanDerWaalsContact CZ-CD 3.46Å; Y206-E208 VanDerWaalsContact CZ-OE1 3.28Å; Y206-E208 PolarHBondContact OH-OE1 2.91Å; Y206-E208 PolarHBondContact OH-OE2 3.12Å; Y206-F210 AromaticContact CD1-CE2 3.74Å; Y206-F210 HydrophobicContact CD1-CE2 3.74Å; Y206-F210 AromaticContact CD1-CZ 3.86Å; Y206-F210 HydrophobicContact CD1-CZ 3.86Å; Y206-F210 HydrophobicContact CE1-CE1 4.14Å; Y206-F210 AromaticContact CE1-CE2 3.89Å; Y206-F210 HydrophobicContact CE1-CE2 3.89Å; Y206-F210 AromaticContact CE1-CZ 3.5Å; Y206-F210 HydrophobicContact CE1-CZ 3.5Å; Y206-F210 VanDerWaalsContact CE1-CZ 3.5Å; Y206-S211 CarbonylContact O-C 3.53Å; Y206-S211 VanDerWaalsContact O-CA 3.29Å; Y206-S211 WeakPolarHBondContact O-CA 3.35Å; Y206-F212 PolarHBondContact N-O 3.21Å; Y206-F212 PolarHBondContact O-N 2.87Å |
| 207 | T | 96 | Very high | 96.6 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 121.1 | -179.3 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | N177 S211 | N177-T207 WeakPolarHBondContact CB-O 3.26Å; N177-T207 PolarHBondContact O-N 3.29Å; T207-S211 PolarHBondContact OG1-OG 2.87Å |
| 208 | E | 93.8 | Very high | 96.7 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -139.4 | -115.9 | 167.2 | -70 | -172 | -175.1 | 0 | 0 | 108.7 | N177 Y206 F210 | N177-E208 HydrophobicContact CB-CG 4.06Å; N177-E208 WeakPolarHBondContact ND2-CG 3.34Å; N177-E208 PolarHBondContact ND2-OE1 2.76Å; Y206-E208 HydrophobicContact CE1-CG 4.14Å; Y206-E208 HydrophobicContact CE2-CG 4.17Å; Y206-E208 VanDerWaalsContact CZ-CD 3.46Å; Y206-E208 VanDerWaalsContact CZ-OE1 3.28Å; Y206-E208 PolarHBondContact OH-OE1 2.91Å; Y206-E208 PolarHBondContact OH-OE2 3.12Å; E208-F210 VanDerWaalsContact C-N 3.29Å; E208-F210 CarbonylContact C-O 3.54Å; E208-F210 PolarHBondContact N-O 3.48Å |
| 209 | N | 93.3 | Very high | 96.6 | Very high | 140 Ų | 140 | 53.8 Ų | 53.8 | 75% | 0.749 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -74.4 | -24.1 | 172.2 | -63.4 | -28.1 | 0 | 0 | 0 | 112.3 | ||
| 210 | F | 96.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 169.2 | 170.5 | 65.9 | -88.1 | 0 | 0 | 0 | 109.1 | Y206 E208 F212 Y225 F226 H227 | Y206-F210 AromaticContact CD1-CE2 3.74Å; Y206-F210 HydrophobicContact CD1-CE2 3.74Å; Y206-F210 AromaticContact CD1-CZ 3.86Å; Y206-F210 HydrophobicContact CD1-CZ 3.86Å; Y206-F210 HydrophobicContact CE1-CE1 4.14Å; Y206-F210 AromaticContact CE1-CE2 3.89Å; Y206-F210 HydrophobicContact CE1-CE2 3.89Å; Y206-F210 AromaticContact CE1-CZ 3.5Å; Y206-F210 HydrophobicContact CE1-CZ 3.5Å; Y206-F210 VanDerWaalsContact CE1-CZ 3.5Å; E208-F210 VanDerWaalsContact C-N 3.29Å; E208-F210 CarbonylContact C-O 3.54Å; E208-F210 PolarHBondContact N-O 3.48Å; F210-F212 HydrophobicContact CE2-CB 4.31Å; F210-Y225 HydrophobicContact CB-CE2 3.87Å; F210-Y225 AromaticContact CD2-CD2 3.98Å; F210-Y225 HydrophobicContact CD2-CD2 3.98Å; F210-Y225 AromaticContact CD2-CE2 3.44Å; F210-Y225 HydrophobicContact CD2-CE2 3.44Å; F210-Y225 VanDerWaalsContact CD2-CE2 3.44Å; F210-Y225 HydrophobicContact CE2-CE2 4.11Å; F210-Y225 AromaticContact CG-CE2 3.78Å; F210-Y225 HydrophobicContact CG-CE2 3.78Å; F210-F226 CarbonylContact C-O 3.51Å; F210-F226 WeakPolarHBondContact CA-O 3.39Å; F210-F226 WeakPolarHBondContact CB-O 3.2Å; F210-H227 HydrophobicContact CB-CB 4.28Å |
| 211 | S | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.8 | 173.7 | -169.9 | 0 | 0 | 0 | 0 | 109 | Y206 T207 Y225 F226 | Y206-S211 CarbonylContact O-C 3.53Å; Y206-S211 VanDerWaalsContact O-CA 3.29Å; Y206-S211 WeakPolarHBondContact O-CA 3.35Å; T207-S211 PolarHBondContact OG1-OG 2.87Å; S211-Y225 CarbonylContact O-C 3.53Å; S211-Y225 WeakPolarHBondContact O-CA 3.38Å; S211-F226 PolarHBondContact N-O 2.72Å; S211-F226 PolarHBondContact O-N 2.63Å |
| 212 | F | 98.3 | Very high | 96.7 | Very high | 82 Ų | 82 | 53 Ų | 53 | 36% | 0.36 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.2 | 169.2 | -179.7 | -98.1 | 0 | 0 | 0 | 108.2 | R205 Y206 F210 L223 T224 | R205-F212 CarbonylContact C-O 3.6Å; R205-F212 VanDerWaalsContact CA-O 3.28Å; R205-F212 WeakPolarHBondContact CA-O 3.28Å; Y206-F212 PolarHBondContact N-O 3.21Å; Y206-F212 PolarHBondContact O-N 2.87Å; F210-F212 HydrophobicContact CE2-CB 4.31Å; F212-L223 HydrophobicContact CE2-CB 4.48Å; F212-L223 HydrophobicContact CZ-CB 4.47Å; F212-L223 HydrophobicContact CZ-CD2 4.07Å; F212-T224 CarbonylContact C-O 3.55Å; F212-T224 WeakPolarHBondContact CA-O 3.48Å |
| 213 | S | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143 | 179.2 | -51.3 | 0 | 0 | 0 | 0 | 110.2 | I37 L204 R205 T224 | I37-S213 WeakPolarHBondContact O-CB 3.48Å; I37-S213 PolarHBondContact O-OG 2.96Å; L204-S213 CarbonylContact O-C 3.56Å; L204-S213 VanDerWaalsContact O-CA 3.29Å; L204-S213 WeakPolarHBondContact O-CA 3.27Å; R205-S213 WeakPolarHBondContact CG-OG 3.4Å; S213-T224 WeakPolarHBondContact CB-OG1 3.4Å; S213-T224 PolarHBondContact N-O 3.43Å; S213-T224 PolarHBondContact O-N 2.86Å; S213-T224 PolarHBondContact O-OG1 2.79Å |
| 214 | S | 98.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.3 | 173.4 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | A203 L204 R222 | A203-S214 CarbonylContact C-O 3.59Å; A203-S214 WeakPolarHBondContact CA-O 3.42Å; L204-S214 PolarHBondContact N-O 3.2Å; L204-S214 PolarHBondContact O-N 2.8Å; S214-R222 CarbonylContact C-O 3.59Å; S214-R222 WeakPolarHBondContact CA-O 3.48Å |
| 215 | N | 96.8 | Very high | 96.7 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.8 | 160 | -85.2 | 43 | 0 | 0 | 0 | 107.7 | I37 H38 Y202 A203 V221 R222 | I37-N215 VanDerWaalsContact CG2-OD1 3.23Å; I37-N215 WeakPolarHBondContact CG2-OD1 3.4Å; H38-N215 PolarHBondContact NE2-OD1 3.46Å; Y202-N215 CarbonylContact O-C 3.59Å; Y202-N215 VanDerWaalsContact O-CA 3.3Å; Y202-N215 WeakPolarHBondContact O-CA 3.28Å; A203-N215 WeakPolarHBondContact CB-OD1 3.44Å; N215-V221 CarbonylContact O-C 3.57Å; N215-V221 WeakPolarHBondContact O-CA 3.4Å; N215-R222 PolarHBondContact N-O 2.78Å; N215-R222 PolarHBondContact O-N 2.8Å |
| 216 | F | 97.3 | Very high | 96.7 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.5 | 179.1 | 58.4 | -84.1 | 0 | 0 | 0 | 111.2 | N201 Y202 L204 G220 V221 | N201-F216 CarbonylContact C-O 3.58Å; N201-F216 WeakPolarHBondContact CA-O 3.45Å; Y202-F216 VanDerWaalsContact CB-CZ 3.44Å; Y202-F216 HydrophobicContact CD2-CD2 4.17Å; Y202-F216 AromaticContact CD2-CE2 3.83Å; Y202-F216 HydrophobicContact CD2-CE2 3.83Å; Y202-F216 AromaticContact CG-CE2 3.95Å; Y202-F216 HydrophobicContact CG-CE2 3.95Å; Y202-F216 HydrophobicContact CG-CZ 4.18Å; Y202-F216 PolarHBondContact N-O 2.85Å; Y202-F216 PolarHBondContact O-N 2.79Å; L204-F216 HydrophobicContact CD1-CE1 4.1Å; L204-F216 HydrophobicContact CD1-CZ 4.49Å; L204-F216 HydrophobicContact CG-CE1 4.31Å; F216-G220 WeakPolarHBondContact CA-O 3.44Å; F216-V221 HydrophobicContact CB-CB 4Å; F216-V221 HydrophobicContact CB-CG2 3.85Å |
| 217 | G | 96.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | -168.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M219 G220 W243 | G217-M219 PolarHBondContact O-N 2.84Å; G217-M219 VanDerWaalsContact O-N 3.08Å; G217-G220 PolarHBondContact N-O 2.7Å; G217-G220 PolarHBondContact O-N 2.91Å; G217-W243 WeakPolarHBondContact O-CZ3 3.33Å |
| 218 | P | 94.2 | Very high | 96.7 | Very high | 82 Ų | 82 | 52 Ų | 52 | 53% | 0.532 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.4 | -177.6 | -25.1 | 34.4 | 0 | 0 | 0 | 114.6 | L200 | L200-P218 WeakPolarHBondContact O-CD 3.28Š|
| 219 | M | 91.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 34% | 0.335 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -10.8 | -173.5 | -52.7 | -73.4 | 72.6 | 0 | 0 | 113.7 | I199 G217 W243 N244 | I199-M219 HydrophobicContact CD1-CG 3.96Å; I199-M219 HydrophobicContact CD1-SD 4.41Å; G217-M219 PolarHBondContact O-N 2.84Å; G217-M219 VanDerWaalsContact O-N 3.08Å; M219-W243 PolarHBondContact O-N 3.07Å; M219-N244 WeakPolarHBondContact CE-OD1 3.41Å; M219-N244 PolarHBondContact SD-ND2 3.17Å |
| 220 | G | 96 | Very high | 96.7 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.8 | -170.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F216 G217 S241 | F216-G220 WeakPolarHBondContact CA-O 3.44Å; G217-G220 PolarHBondContact N-O 2.7Å; G217-G220 PolarHBondContact O-N 2.91Å; G220-S241 CarbonylContact C-O 3.54Å; G220-S241 WeakPolarHBondContact CA-O 3.4Å |
| 221 | V | 97.7 | Very high | 96.5 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 140.1 | 179.1 | 58 | 0 | 0 | 0 | 0 | 110.7 | N215 F216 L223 S241 W243 | N215-V221 CarbonylContact O-C 3.57Å; N215-V221 WeakPolarHBondContact O-CA 3.4Å; F216-V221 HydrophobicContact CB-CB 4Å; F216-V221 HydrophobicContact CB-CG2 3.85Å; V221-L223 HydrophobicContact CG2-CD2 3.61Å; V221-L223 HydrophobicContact CG2-CG 3.91Å; V221-S241 PolarHBondContact N-O 2.78Å; V221-S241 PolarHBondContact O-N 2.77Å; V221-W243 HydrophobicContact CG1-CZ2 4.33Å |
| 222 | R | 97.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 57 Ų | 57 | 29% | 0.291 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.3 | 170.9 | -175.6 | 178.6 | -174.8 | 151 | 12.6 | 108.3 | S214 N215 E238 L239 | S214-R222 CarbonylContact C-O 3.59Å; S214-R222 WeakPolarHBondContact CA-O 3.48Å; N215-R222 PolarHBondContact N-O 2.78Å; N215-R222 PolarHBondContact O-N 2.8Å; R222-E238 IonicContact CZ-OE1 3.17Å; R222-E238 IonicContact NE-OE1 3.34Å; R222-E238 PolarHBondContact NE-OE1 2.82Å; R222-E238 IonicContact NH2-OE1 2.87Å; R222-E238 PolarHBondContact NH2-OE1 3.46Å; R222-E238 IonicContact NH2-OE2 3.88Å; R222-L239 CarbonylContact C-O 3.58Å; R222-L239 WeakPolarHBondContact CA-O 3.33Å |
| 223 | L | 98.4 | Very high | 96.4 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.7 | 175.2 | -54.5 | -179.1 | 0 | 0 | 0 | 108.6 | F212 V221 E238 L239 | F212-L223 HydrophobicContact CE2-CB 4.48Å; F212-L223 HydrophobicContact CZ-CB 4.47Å; F212-L223 HydrophobicContact CZ-CD2 4.07Å; V221-L223 HydrophobicContact CG2-CD2 3.61Å; V221-L223 HydrophobicContact CG2-CG 3.91Å; L223-E238 CarbonylContact O-C 3.55Å; L223-E238 WeakPolarHBondContact O-CA 3.4Å; L223-L239 HydrophobicContact CB-CB 4.38Å; L223-L239 HydrophobicContact CD1-CD2 4.24Å; L223-L239 PolarHBondContact N-O 3.48Å; L223-L239 PolarHBondContact O-N 2.86Å |
| 224 | T | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.9 | 173.8 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | H38 C41 F212 S213 V237 E238 | H38-T224 HydrophobicContact CB-CG2 4.15Å; H38-T224 WeakPolarHBondContact ND1-CG2 3.28Å; H38-T224 PolarHBondContact ND1-OG1 2.8Å; C41-T224 HydrophobicContact CB-CG2 4.14Å; F212-T224 CarbonylContact C-O 3.55Å; F212-T224 WeakPolarHBondContact CA-O 3.48Å; S213-T224 WeakPolarHBondContact CB-OG1 3.4Å; S213-T224 PolarHBondContact N-O 3.43Å; S213-T224 PolarHBondContact O-N 2.86Å; S213-T224 PolarHBondContact O-OG1 2.79Å; T224-V237 CarbonylContact C-O 3.59Å; T224-V237 VanDerWaalsContact CA-O 3.24Å; T224-V237 WeakPolarHBondContact CA-O 3.29Å; T224-E238 HydrophobicContact CG2-CB 4.15Å; T224-E238 HydrophobicContact CG2-CG 3.98Å; T224-E238 WeakPolarHBondContact CG2-OE1 3.24Å |
| 225 | Y | 98.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.4 | 170.9 | 174.5 | -91.1 | 0 | 0 | 0 | 108.9 | F210 S211 H227 G236 V237 | F210-Y225 HydrophobicContact CB-CE2 3.87Å; F210-Y225 AromaticContact CD2-CD2 3.98Å; F210-Y225 HydrophobicContact CD2-CD2 3.98Å; F210-Y225 AromaticContact CD2-CE2 3.44Å; F210-Y225 HydrophobicContact CD2-CE2 3.44Å; F210-Y225 VanDerWaalsContact CD2-CE2 3.44Å; F210-Y225 HydrophobicContact CE2-CE2 4.11Å; F210-Y225 AromaticContact CG-CE2 3.78Å; F210-Y225 HydrophobicContact CG-CE2 3.78Å; S211-Y225 CarbonylContact O-C 3.53Å; S211-Y225 WeakPolarHBondContact O-CA 3.38Å; Y225-H227 HydrophobicContact CD1-CB 4.46Å; Y225-H227 HydrophobicContact CE1-CB 3.53Å; Y225-G236 CarbonylContact O-C 3.51Å; Y225-G236 WeakPolarHBondContact O-CA 3.43Å; Y225-V237 HydrophobicContact CD1-CG2 4.5Å; Y225-V237 PolarHBondContact N-O 3.21Å; Y225-V237 PolarHBondContact O-N 2.9Å |
| 226 | F | 98.5 | Very high | 96.4 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.7 | 175.8 | 165.6 | -92.6 | 0 | 0 | 0 | 109.4 | K40 C41 V44 F210 S211 K228 Q234 F235 | K40-F226 HydrophobicContact CB-CB 4.16Å; K40-F226 HydrophobicContact CB-CD1 3.92Å; K40-F226 HydrophobicContact CB-CD2 4.12Å; K40-F226 HydrophobicContact CB-CE1 4.35Å; K40-F226 HydrophobicContact CB-CG 3.78Å; K40-F226 HydrophobicContact CD-CD1 4.02Å; K40-F226 HydrophobicContact CD-CE1 4.21Å; K40-F226 WeakPolarHBondContact O-CD2 3.5Å; K40-F226 WeakPolarHBondContact O-CE2 3.34Å; C41-F226 HydrophobicContact CB-CB 4.25Å; V44-F226 HydrophobicContact CG2-CD2 3.71Å; V44-F226 HydrophobicContact CG2-CE2 3.68Å; F210-F226 CarbonylContact C-O 3.51Å; F210-F226 WeakPolarHBondContact CA-O 3.39Å; F210-F226 WeakPolarHBondContact CB-O 3.2Å; S211-F226 PolarHBondContact N-O 2.72Å; S211-F226 PolarHBondContact O-N 2.63Å; F226-K228 HydrophobicContact CE1-CB 4.25Å; F226-K228 HydrophobicContact CZ-CB 4.08Å; F226-Q234 HydrophobicContact CE2-CB 4.1Å; F226-Q234 HydrophobicContact CE2-CG 4.44Å; F226-Q234 HydrophobicContact CZ-CB 4.41Å; F226-F235 WeakPolarHBondContact CA-O 3.31Å |
| 227 | H | 97.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 128 | 177.3 | -175 | 63.7 | 0 | 0 | 0 | 111.6 | F210 Y225 Q229 Q234 F235 | F210-H227 HydrophobicContact CB-CB 4.28Å; Y225-H227 HydrophobicContact CD1-CB 4.46Å; Y225-H227 HydrophobicContact CE1-CB 3.53Å; H227-Q229 PolarHBondContact CD2-OE1 2.85Å; H227-Q229 PolarHBondContact NE2-OE1 2.81Å; H227-Q234 WeakPolarHBondContact O-CA 3.18Å; H227-F235 PolarHBondContact N-O 3.37Å; H227-F235 PolarHBondContact O-N 2.87Å |
| 228 | K | 96.4 | Very high | 96.6 | Very high | 103 Ų | 103 | 57 Ų | 57 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 96.6 | 175.5 | -172.7 | 165.8 | -173.6 | 173.4 | 0 | 109.2 | F226 Q230 P231 Q234 | F226-K228 HydrophobicContact CE1-CB 4.25Å; F226-K228 HydrophobicContact CZ-CB 4.08Å; K228-Q230 VanDerWaalsContact CE-O 3.32Å; K228-Q230 WeakPolarHBondContact CE-O 3.38Å; K228-Q230 WeakPolarHBondContact CG-O 2.91Å; K228-P231 WeakPolarHBondContact CE-O 3.12Å; K228-P231 PolarHBondContact NZ-O 2.89Å; K228-P231 VanDerWaalsContact NZ-O 3.1Å; K228-Q234 HydrophobicContact CB-CB 4.32Å; K228-Q234 HydrophobicContact CG-CB 4.23Å |
| 229 | Q | 93.4 | Very high | 96.8 | Very high | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -37.6 | -176.2 | -175.9 | 63 | 17.4 | 0 | 0 | 112.4 | H227 L233 F235 | H227-Q229 PolarHBondContact CD2-OE1 2.85Å; H227-Q229 PolarHBondContact NE2-OE1 2.81Å; Q229-L233 PolarHBondContact N-O 3.34Å; Q229-L233 VanDerWaalsContact N-O 3.09Å; Q229-F235 HydrophobicContact CB-CD2 4.22Å; Q229-F235 HydrophobicContact CB-CE2 3.86Å |
| 230 | Q | 93.4 | Very high | 97.1 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 162.5 | 177.4 | -65.5 | -175.9 | -16.3 | 0 | 0 | 109.8 | K228 N232 L233 | K228-Q230 VanDerWaalsContact CE-O 3.32Å; K228-Q230 WeakPolarHBondContact CE-O 3.38Å; K228-Q230 WeakPolarHBondContact CG-O 2.91Å; Q230-N232 PolarHBondContact O-N 2.83Å; Q230-L233 HydrophobicContact CB-CB 4.04Å; Q230-L233 PolarHBondContact N-O 2.87Å; Q230-L233 PolarHBondContact O-N 2.81Å; Q230-L233 VanDerWaalsContact O-N 3.08Å |
| 231 | P | 92.5 | Very high | 97.2 | Very high | 104 Ų | 104 | 57.2 Ų | 57.2 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -32.4 | 175 | -29.9 | 36.8 | 0 | 0 | 0 | 113.7 | K228 | K228-P231 WeakPolarHBondContact CE-O 3.12Å; K228-P231 PolarHBondContact NZ-O 2.89Å; K228-P231 VanDerWaalsContact NZ-O 3.1Å |
| 232 | N | 95.5 | Very high | 97.1 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 3.1 | -175.1 | -65.6 | -12 | 0 | 0 | 0 | 114 | Q230 A256 D257 | Q230-N232 PolarHBondContact O-N 2.83Å; N232-A256 CarbonylContact O-C 3.56Å; N232-A256 WeakPolarHBondContact O-CA 3.23Å; N232-D257 HydrophobicContact CB-CB 4.45Å; N232-D257 WeakPolarHBondContact CB-O 3.42Å; N232-D257 PolarHBondContact O-N 2.86Å |
| 233 | L | 97.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 61.4 Ų | 61.4 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 121.6 | -176.1 | -173.4 | 65.7 | 0 | 0 | 0 | 110.7 | Q229 Q230 F235 Y254 Q255 A256 | Q229-L233 PolarHBondContact N-O 3.34Å; Q229-L233 VanDerWaalsContact N-O 3.09Å; Q230-L233 HydrophobicContact CB-CB 4.04Å; Q230-L233 PolarHBondContact N-O 2.87Å; Q230-L233 PolarHBondContact O-N 2.81Å; Q230-L233 VanDerWaalsContact O-N 3.08Å; L233-F235 HydrophobicContact CD1-CZ 4.11Å; L233-F235 HydrophobicContact CD2-CE2 3.9Å; L233-F235 HydrophobicContact CD2-CZ 3.68Å; L233-F235 HydrophobicContact CG-CE2 3.8Å; L233-F235 HydrophobicContact CG-CZ 3.75Å; L233-Y254 HydrophobicContact CD1-CD2 4.36Å; L233-Q255 WeakPolarHBondContact CA-O 3.13Å; L233-A256 HydrophobicContact CD1-CB 3.97Å |
| 234 | Q | 97.9 | Very high | 96.5 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.9 | -179.7 | 60.8 | -175.1 | 23.7 | 0 | 0 | 111.4 | V44 F226 H227 K228 Y254 Q255 | V44-Q234 HydrophobicContact CG1-CG 4.47Å; V44-Q234 HydrophobicContact CG2-CG 4.07Å; F226-Q234 HydrophobicContact CE2-CB 4.1Å; F226-Q234 HydrophobicContact CE2-CG 4.44Å; F226-Q234 HydrophobicContact CZ-CB 4.41Å; H227-Q234 WeakPolarHBondContact O-CA 3.18Å; K228-Q234 HydrophobicContact CB-CB 4.32Å; K228-Q234 HydrophobicContact CG-CB 4.23Å; Q234-Y254 CarbonylContact O-C 3.47Å; Q234-Y254 VanDerWaalsContact O-CA 3.26Å; Q234-Y254 WeakPolarHBondContact O-CA 3.22Å; Q234-Q255 HydrophobicContact CG-CB 3.74Å; Q234-Q255 HydrophobicContact CG-CG 4.47Å; Q234-Q255 PolarHBondContact N-O 2.84Å; Q234-Q255 PolarHBondContact O-N 2.66Å |
| 235 | F | 98.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145.7 | -173.4 | -60 | -81.6 | 0 | 0 | 0 | 110.5 | F226 H227 Q229 L233 F252 A253 | F226-F235 WeakPolarHBondContact CA-O 3.31Å; H227-F235 PolarHBondContact N-O 3.37Å; H227-F235 PolarHBondContact O-N 2.87Å; Q229-F235 HydrophobicContact CB-CD2 4.22Å; Q229-F235 HydrophobicContact CB-CE2 3.86Å; L233-F235 HydrophobicContact CD1-CZ 4.11Å; L233-F235 HydrophobicContact CD2-CE2 3.9Å; L233-F235 HydrophobicContact CD2-CZ 3.68Å; L233-F235 HydrophobicContact CG-CE2 3.8Å; L233-F235 HydrophobicContact CG-CZ 3.75Å; F235-F252 AromaticContact CD1-CE2 3.88Å; F235-F252 HydrophobicContact CD1-CE2 3.88Å; F235-F252 AromaticContact CD1-CZ 3.57Å; F235-F252 HydrophobicContact CD1-CZ 3.57Å; F235-F252 AromaticContact CE1-CZ 3.98Å; F235-F252 HydrophobicContact CE1-CZ 3.98Å; F235-A253 WeakPolarHBondContact CA-O 3.32Å |
| 236 | G | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | C41 Y225 F252 A253 | C41-G236 VanDerWaalsContact SG-CA 3.58Å; Y225-G236 CarbonylContact O-C 3.51Å; Y225-G236 WeakPolarHBondContact O-CA 3.43Å; G236-F252 CarbonylContact O-C 3.57Å; G236-F252 WeakPolarHBondContact O-CA 3.38Å; G236-A253 PolarHBondContact N-O 2.86Å; G236-A253 PolarHBondContact O-N 2.88Å |
| 237 | V | 98.5 | Very high | 95.8 | Very high | 60 Ų | 60 | 75.8 Ų | 75.8 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.5 | 169.2 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | C41 T224 Y225 S251 F252 | C41-V237 PolarHBondContact SG-O 2.82Å; T224-V237 CarbonylContact C-O 3.59Å; T224-V237 VanDerWaalsContact CA-O 3.24Å; T224-V237 WeakPolarHBondContact CA-O 3.29Å; Y225-V237 HydrophobicContact CD1-CG2 4.5Å; Y225-V237 PolarHBondContact N-O 3.21Å; Y225-V237 PolarHBondContact O-N 2.9Å; V237-S251 WeakPolarHBondContact CA-O 3.36Å; V237-F252 HydrophobicContact CG2-CD2 3.95Å |
| 238 | E | 98.4 | Very high | 95.7 | Very high | 23 Ų | 23 | 78.9 Ų | 78.9 | 11% | 0.107 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 133.7 | 179.9 | 175.5 | 156.2 | -121.6 | 0 | 0 | 110.2 | Y45 R222 L223 T224 A250 S251 | Y45-E238 WeakPolarHBondContact OH-CB 3.36Å; Y45-E238 PolarHBondContact OH-N 2.97Å; R222-E238 IonicContact CZ-OE1 3.17Å; R222-E238 IonicContact NE-OE1 3.34Å; R222-E238 PolarHBondContact NE-OE1 2.82Å; R222-E238 IonicContact NH2-OE1 2.87Å; R222-E238 PolarHBondContact NH2-OE1 3.46Å; R222-E238 IonicContact NH2-OE2 3.88Å; L223-E238 CarbonylContact O-C 3.55Å; L223-E238 WeakPolarHBondContact O-CA 3.4Å; T224-E238 HydrophobicContact CG2-CB 4.15Å; T224-E238 HydrophobicContact CG2-CG 3.98Å; T224-E238 WeakPolarHBondContact CG2-OE1 3.24Å; E238-A250 CarbonylContact O-C 3.56Å; E238-A250 VanDerWaalsContact O-CA 3.31Å; E238-A250 WeakPolarHBondContact O-CA 3.42Å; E238-S251 PolarHBondContact N-O 2.79Å; E238-S251 PolarHBondContact O-N 2.8Å |
| 239 | L | 98.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 76.6 Ų | 76.6 | 36% | 0.356 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.3 | 169.3 | 175.9 | 70 | 0 | 0 | 0 | 107.9 | R222 L223 L249 A250 | R222-L239 CarbonylContact C-O 3.58Å; R222-L239 WeakPolarHBondContact CA-O 3.33Å; L223-L239 HydrophobicContact CB-CB 4.38Å; L223-L239 HydrophobicContact CD1-CD2 4.24Å; L223-L239 PolarHBondContact N-O 3.48Å; L223-L239 PolarHBondContact O-N 2.86Å; L239-L249 WeakPolarHBondContact CA-O 3.43Å; L239-A250 HydrophobicContact CD1-CB 3.91Å |
| 240 | E | 97.5 | Very high | 96 | Very high | 85 Ų | 85 | 72.7 Ų | 72.7 | 40% | 0.397 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.6 | 172.3 | -171.4 | 172 | 164.5 | 0 | 0 | 108.8 | N248 L249 | E240-N248 CarbonylContact O-C 3.49Å; E240-N248 WeakPolarHBondContact O-CA 3.32Å; E240-L249 PolarHBondContact N-O 2.81Å; E240-L249 PolarHBondContact O-N 3.18Å |
| 241 | S | 97.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 68 Ų | 68 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 115.7 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | G220 V221 W243 N248 | G220-S241 CarbonylContact C-O 3.54Å; G220-S241 WeakPolarHBondContact CA-O 3.4Å; V221-S241 PolarHBondContact N-O 2.78Å; V221-S241 PolarHBondContact O-N 2.77Å; S241-W243 PolarHBondContact OG-NE1 2.9Å; S241-W243 VanDerWaalsContact OG-NE1 3.16Å; S241-N248 WeakPolarHBondContact CA-OD1 3.35Å; S241-N248 WeakPolarHBondContact CB-OD1 3.34Å; S241-N248 PolarHBondContact OG-OD1 2.85Å |
| 242 | N | 95.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 67 Ų | 67 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 110.9 | 176.7 | -176.4 | -30.2 | 0 | 0 | 0 | 108.8 | N244 A245 Q246 E247 | N242-N244 PolarHBondContact OD1-N 3.23Å; N242-N244 VanDerWaalsContact OD1-N 3.11Å; N242-A245 HydrophobicContact CB-CB 4.19Å; N242-A245 PolarHBondContact OD1-N 2.86Å; N242-Q246 VanDerWaalsContact O-CA 3.32Å; N242-Q246 WeakPolarHBondContact O-CA 3.35Å; N242-Q246 PolarHBondContact O-N 2.8Å; N242-E247 PolarHBondContact N-O 2.81Å; N242-E247 PolarHBondContact O-N 3.31Å; N242-E247 VanDerWaalsContact O-N 3.08Å |
| 243 | W | 94.3 | Very high | 96.6 | Very high | 140 Ų | 140 | 63.6 Ų | 63.6 | 53% | 0.53 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -25.2 | -173.8 | -60 | -23.7 | 0 | 0 | 0 | 113.2 | G217 M219 V221 S241 | G217-W243 WeakPolarHBondContact O-CZ3 3.33Å; M219-W243 PolarHBondContact O-N 3.07Å; V221-W243 HydrophobicContact CG1-CZ2 4.33Å; S241-W243 PolarHBondContact OG-NE1 2.9Å; S241-W243 VanDerWaalsContact OG-NE1 3.16Å |
| 244 | N | 90.5 | Very high | 96.7 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -44.3 | 174.7 | -71.5 | -11.7 | 0 | 0 | 0 | 111.5 | M219 N242 Q246 | M219-N244 WeakPolarHBondContact CE-OD1 3.41Å; M219-N244 PolarHBondContact SD-ND2 3.17Å; N242-N244 PolarHBondContact OD1-N 3.23Å; N242-N244 VanDerWaalsContact OD1-N 3.11Å; N244-Q246 VanDerWaalsContact C-N 3.26Å |
| 245 | A | 92.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N242 E247 | N242-A245 HydrophobicContact CB-CB 4.19Å; N242-A245 PolarHBondContact OD1-N 2.86Å; A245-E247 HydrophobicContact CB-CB 4.15Å; A245-E247 HydrophobicContact CB-CG 3.9Å; A245-E247 PolarHBondContact O-N 2.93Å |
| 246 | Q | 93.2 | Very high | 96.7 | Very high | 174 Ų | 174 | 63 Ų | 63 | 81% | 0.813 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 33.6 | -169.5 | -53.8 | -170.9 | -66.3 | 0 | 0 | 112.5 | N242 N244 | N242-Q246 VanDerWaalsContact O-CA 3.32Å; N242-Q246 WeakPolarHBondContact O-CA 3.35Å; N242-Q246 PolarHBondContact O-N 2.8Å; N244-Q246 VanDerWaalsContact C-N 3.26Å |
| 247 | E | 94.5 | Very high | 96.6 | Very high | 136 Ų | 136 | 65.3 Ų | 65.3 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.5 | -178.2 | -70.8 | -176.3 | 166.6 | 0 | 0 | 110.2 | N242 A245 | N242-E247 PolarHBondContact N-O 2.81Å; N242-E247 PolarHBondContact O-N 3.31Å; N242-E247 VanDerWaalsContact O-N 3.08Å; A245-E247 HydrophobicContact CB-CB 4.15Å; A245-E247 HydrophobicContact CB-CG 3.9Å; A245-E247 PolarHBondContact O-N 2.93Å |
| 248 | N | 96.6 | Very high | 96.4 | Very high | 102 Ų | 102 | 65.9 Ų | 65.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.4 | 172.4 | -61.6 | -61.8 | 0 | 0 | 0 | 108.7 | E240 S241 | E240-N248 CarbonylContact O-C 3.49Å; E240-N248 WeakPolarHBondContact O-CA 3.32Å; S241-N248 WeakPolarHBondContact CA-OD1 3.35Å; S241-N248 WeakPolarHBondContact CB-OD1 3.34Å; S241-N248 PolarHBondContact OG-OD1 2.85Å |
| 249 | L | 96.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 68.3 Ų | 68.3 | 29% | 0.293 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.4 | 178.6 | -173.6 | 66.3 | 0 | 0 | 0 | 108.6 | L239 E240 D270 N272 | L239-L249 WeakPolarHBondContact CA-O 3.43Å; E240-L249 PolarHBondContact N-O 2.81Å; E240-L249 PolarHBondContact O-N 3.18Å; L249-D270 HydrophobicContact CD1-CB 3.82Å; L249-D270 HydrophobicContact CG-CB 4.5Å; L249-N272 HydrophobicContact CD1-CB 4.48Å; L249-N272 WeakPolarHBondContact CD1-ND2 3.32Å |
| 250 | A | 98.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 75.2 Ų | 75.2 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.4 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | E238 L239 D270 T271 | E238-A250 CarbonylContact O-C 3.56Å; E238-A250 VanDerWaalsContact O-CA 3.31Å; E238-A250 WeakPolarHBondContact O-CA 3.42Å; L239-A250 HydrophobicContact CD1-CB 3.91Å; A250-D270 CarbonylContact O-C 3.52Å; A250-D270 VanDerWaalsContact O-CA 3.28Å; A250-D270 WeakPolarHBondContact O-CA 3.13Å; A250-T271 HydrophobicContact CB-CG2 3.74Å; A250-T271 PolarHBondContact N-OG1 2.84Å; A250-T271 VanDerWaalsContact N-OG1 3.15Å; A250-T271 PolarHBondContact O-N 2.81Å; A250-T271 PolarHBondContact O-OG1 2.79Å |
| 251 | S | 98 | Very high | 95.4 | Very high | 15 Ų | 15 | 72.8 Ų | 72.8 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 152.1 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | Y45 V237 E238 I269 | Y45-S251 VanDerWaalsContact CE1-OG 3.31Å; Y45-S251 WeakPolarHBondContact CE1-OG 3.2Å; Y45-S251 PolarHBondContact OH-O 3.25Å; Y45-S251 PolarHBondContact OH-OG 3.29Å; V237-S251 WeakPolarHBondContact CA-O 3.36Å; E238-S251 PolarHBondContact N-O 2.79Å; E238-S251 PolarHBondContact O-N 2.8Å; S251-I269 CarbonylContact C-O 3.56Å; S251-I269 VanDerWaalsContact CA-O 3.25Å; S251-I269 WeakPolarHBondContact CA-O 3.19Å; S251-I269 WeakPolarHBondContact CB-O 3.45Å |
| 252 | F | 98.5 | Very high | 95.2 | Very high | 81 Ų | 81 | 75.8 Ų | 75.8 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.9 | 175.8 | 168.4 | -91.3 | 0 | 0 | 0 | 108.3 | F235 G236 V237 Y254 S268 I269 | F235-F252 AromaticContact CD1-CE2 3.88Å; F235-F252 HydrophobicContact CD1-CE2 3.88Å; F235-F252 AromaticContact CD1-CZ 3.57Å; F235-F252 HydrophobicContact CD1-CZ 3.57Å; F235-F252 AromaticContact CE1-CZ 3.98Å; F235-F252 HydrophobicContact CE1-CZ 3.98Å; G236-F252 CarbonylContact O-C 3.57Å; G236-F252 WeakPolarHBondContact O-CA 3.38Å; V237-F252 HydrophobicContact CG2-CD2 3.95Å; F252-Y254 HydrophobicContact CE1-CD1 4.17Å; F252-S268 CarbonylContact O-C 3.52Å; F252-S268 WeakPolarHBondContact O-CA 3.31Å; F252-S268 WeakPolarHBondContact O-CB 3.25Å; F252-I269 HydrophobicContact CB-CG2 4.34Å; F252-I269 HydrophobicContact CD1-CG2 4.4Å; F252-I269 PolarHBondContact N-O 2.94Å; F252-I269 PolarHBondContact O-N 3.41Å |
| 253 | A | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | V44 Y45 F235 G236 A267 | V44-A253 HydrophobicContact CG1-CB 4.07Å; Y45-A253 HydrophobicContact CD1-CB 3.8Å; Y45-A253 HydrophobicContact CD2-CB 3.61Å; Y45-A253 HydrophobicContact CE1-CB 3.77Å; Y45-A253 HydrophobicContact CE2-CB 3.55Å; Y45-A253 HydrophobicContact CG-CB 3.72Å; F235-A253 WeakPolarHBondContact CA-O 3.32Å; G236-A253 PolarHBondContact N-O 2.86Å; G236-A253 PolarHBondContact O-N 2.88Å; A253-A267 CarbonylContact C-O 3.5Å; A253-A267 WeakPolarHBondContact CA-O 3.47Å |
| 254 | Y | 98.2 | Very high | 95.3 | Very high | 77 Ų | 77 | 67.8 Ų | 67.8 | 30% | 0.302 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.7 | 167.7 | 74.9 | -88.2 | 0 | 0 | 0 | 111.1 | L233 Q234 F252 A256 F265 R266 A267 | L233-Y254 HydrophobicContact CD1-CD2 4.36Å; Q234-Y254 CarbonylContact O-C 3.47Å; Q234-Y254 VanDerWaalsContact O-CA 3.26Å; Q234-Y254 WeakPolarHBondContact O-CA 3.22Å; F252-Y254 HydrophobicContact CE1-CD1 4.17Å; Y254-A256 HydrophobicContact CD2-CB 4.29Å; Y254-A256 HydrophobicContact CE2-CB 4.23Å; Y254-F265 AromaticContact CE2-CD1 3.79Å; Y254-F265 HydrophobicContact CE2-CD1 3.79Å; Y254-F265 HydrophobicContact CE2-CE1 4.06Å; Y254-F265 AromaticContact CZ-CD1 3.94Å; Y254-F265 AromaticContact CZ-CE1 3.71Å; Y254-F265 WeakPolarHBondContact OH-CE1 3.31Å; Y254-R266 WeakPolarHBondContact O-CA 3.32Å; Y254-A267 HydrophobicContact CD1-CB 4.31Å; Y254-A267 HydrophobicContact CE1-CB 3.72Å; Y254-A267 PolarHBondContact N-O 2.89Å; Y254-A267 PolarHBondContact O-N 2.81Å |
| 255 | Q | 98.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.065 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.3 | 169.4 | 177 | -178.9 | -25.6 | 0 | 0 | 108.6 | D43 V44 L233 Q234 D257 F265 R266 | D43-Q255 PolarHBondContact O-OE1 2.78Å; V44-Q255 HydrophobicContact CG1-CB 4.03Å; L233-Q255 WeakPolarHBondContact CA-O 3.13Å; Q234-Q255 HydrophobicContact CG-CB 3.74Å; Q234-Q255 HydrophobicContact CG-CG 4.47Å; Q234-Q255 PolarHBondContact N-O 2.84Å; Q234-Q255 PolarHBondContact O-N 2.66Å; Q255-D257 PolarHBondContact NE2-OD1 2.65Å; Q255-D257 PolarHBondContact NE2-OD2 3.11Å; Q255-F265 CarbonylContact C-O 3.59Å; Q255-F265 VanDerWaalsContact CA-O 3.3Å; Q255-F265 WeakPolarHBondContact CA-O 3.26Å; Q255-R266 HydrophobicContact CB-CG 3.89Å; Q255-R266 HydrophobicContact CG-CG 3.75Å |
| 256 | A | 97.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N232 L233 Y254 F265 | N232-A256 CarbonylContact O-C 3.56Å; N232-A256 WeakPolarHBondContact O-CA 3.23Å; L233-A256 HydrophobicContact CD1-CB 3.97Å; Y254-A256 HydrophobicContact CD2-CB 4.29Å; Y254-A256 HydrophobicContact CE2-CB 4.23Å; A256-F265 PolarHBondContact N-O 2.75Å; A256-F265 PolarHBondContact O-N 2.91Å |
| 257 | D | 96.7 | Very high | 96.2 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 134.5 | 173.5 | -61 | -42.3 | 0 | 0 | 0 | 109.6 | N232 Q255 P259 S264 | N232-D257 HydrophobicContact CB-CB 4.45Å; N232-D257 WeakPolarHBondContact CB-O 3.42Å; N232-D257 PolarHBondContact O-N 2.86Å; Q255-D257 PolarHBondContact NE2-OD1 2.65Å; Q255-D257 PolarHBondContact NE2-OD2 3.11Å; D257-P259 VanDerWaalsContact O-CD 3.3Å; D257-P259 WeakPolarHBondContact O-CD 3.3Å; D257-S264 WeakPolarHBondContact OD1-CB 3.2Å; D257-S264 PolarHBondContact OD1-OG 2.64Å |
| 258 | V | 95 | Very high | 96.4 | Very high | 71 Ų | 71 | 52.3 Ų | 52.3 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 83.1 | 177.5 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | K260 A261 N262 A263 | V258-K260 VanDerWaalsContact C-N 3.29Å; V258-K260 PolarHBondContact O-N 3.43Å; V258-A261 HydrophobicContact CB-CB 4.19Å; V258-A261 HydrophobicContact CG1-CB 3.67Å; V258-A261 CarbonylContact O-C 3.52Å; V258-A261 PolarHBondContact O-N 2.87Å; V258-N262 PolarHBondContact O-N 2.87Å; V258-N262 VanDerWaalsContact O-N 3.09Å; V258-A263 PolarHBondContact N-O 2.93Å; V258-A263 PolarHBondContact O-N 3.18Å |
| 259 | P | 91.3 | Very high | 96.4 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -57.7 | -39.8 | -174.1 | -26.5 | 34 | 0 | 0 | 0 | 113.1 | D257 A261 N262 | D257-P259 VanDerWaalsContact O-CD 3.3Å; D257-P259 WeakPolarHBondContact O-CD 3.3Å; P259-A261 PolarHBondContact O-N 2.78Å; P259-A261 VanDerWaalsContact O-N 3.17Å; P259-N262 PolarHBondContact O-N 2.9Å; P259-N262 PolarHBondContact O-OD1 2.79Å |
| 260 | K | 90.5 | Very high | 96.4 | Very high | 213 Ų | 213 | 50.1 Ų | 50.1 | 93% | 0.926 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -60.5 | -27.4 | 178.1 | -66.5 | -174.6 | 179.8 | -179.9 | 0 | 113.1 | V258 | V258-K260 VanDerWaalsContact C-N 3.29Å; V258-K260 PolarHBondContact O-N 3.43Å |
| 261 | A | 91.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -101.6 | 2.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V258 P259 A263 K281 | V258-A261 HydrophobicContact CB-CB 4.19Å; V258-A261 HydrophobicContact CG1-CB 3.67Å; V258-A261 CarbonylContact O-C 3.52Å; V258-A261 PolarHBondContact O-N 2.87Å; P259-A261 PolarHBondContact O-N 2.78Å; P259-A261 VanDerWaalsContact O-N 3.17Å; A261-A263 HydrophobicContact CB-CB 4.21Å; A261-A263 PolarHBondContact O-N 2.79Å; A261-A263 VanDerWaalsContact O-N 3.14Å; A261-K281 VanDerWaalsContact O-CD 3.3Å; A261-K281 WeakPolarHBondContact O-CD 3.47Å; A261-K281 WeakPolarHBondContact O-CE 3.36Å; A261-K281 PolarHBondContact O-NZ 2.84Å |
| 262 | N | 93.5 | Very high | 96.1 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 40.2 | -172.2 | -62.6 | -37.8 | 0 | 0 | 0 | 112.4 | V258 P259 R282 S284 | V258-N262 PolarHBondContact O-N 2.87Å; V258-N262 VanDerWaalsContact O-N 3.09Å; P259-N262 PolarHBondContact O-N 2.9Å; P259-N262 PolarHBondContact O-OD1 2.79Å; N262-R282 HydrophobicContact CB-CB 4.17Å; N262-R282 WeakPolarHBondContact CB-O 3.35Å; N262-R282 PolarHBondContact O-N 2.79Å; N262-S284 PolarHBondContact ND2-OG 2.89Å |
| 263 | A | 95.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | V258 A261 L279 E280 K281 | V258-A263 PolarHBondContact N-O 2.93Å; V258-A263 PolarHBondContact O-N 3.18Å; A261-A263 HydrophobicContact CB-CB 4.21Å; A261-A263 PolarHBondContact O-N 2.79Å; A261-A263 VanDerWaalsContact O-N 3.14Å; A263-L279 HydrophobicContact CB-CD1 4.39Å; A263-E280 CarbonylContact C-O 3.52Å; A263-E280 WeakPolarHBondContact CA-O 3.46Å; A263-K281 HydrophobicContact CB-CD 3.9Å |
| 264 | S | 96.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.4 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | D257 E280 | D257-S264 WeakPolarHBondContact OD1-CB 3.2Å; D257-S264 PolarHBondContact OD1-OG 2.64Å; S264-E280 PolarHBondContact N-O 3.26Å; S264-E280 PolarHBondContact O-N 3Å |
| 265 | F | 97.8 | Very high | 95.8 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.7 | 179.3 | -175.2 | -98.6 | 0 | 0 | 0 | 109.7 | Y254 Q255 A256 A267 A277 M278 L279 | Y254-F265 AromaticContact CE2-CD1 3.79Å; Y254-F265 HydrophobicContact CE2-CD1 3.79Å; Y254-F265 HydrophobicContact CE2-CE1 4.06Å; Y254-F265 AromaticContact CZ-CD1 3.94Å; Y254-F265 AromaticContact CZ-CE1 3.71Å; Y254-F265 WeakPolarHBondContact OH-CE1 3.31Å; Q255-F265 CarbonylContact C-O 3.59Å; Q255-F265 VanDerWaalsContact CA-O 3.3Å; Q255-F265 WeakPolarHBondContact CA-O 3.26Å; A256-F265 PolarHBondContact N-O 2.75Å; A256-F265 PolarHBondContact O-N 2.91Å; F265-A267 HydrophobicContact CD1-CB 4.44Å; F265-A267 HydrophobicContact CE1-CB 3.53Å; F265-A267 HydrophobicContact CZ-CB 3.95Å; F265-A277 HydrophobicContact CE2-CB 4.21Å; F265-A277 HydrophobicContact CZ-CB 3.89Å; F265-M278 CarbonylContact C-O 3.56Å; F265-M278 WeakPolarHBondContact CA-O 3.47Å; F265-L279 HydrophobicContact CB-CD1 4.25Å; F265-L279 HydrophobicContact CD2-CB 4.05Å; F265-L279 HydrophobicContact CD2-CD1 4.08Å |
| 266 | R | 98.2 | Very high | 95.7 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.7 | 172.8 | -65.8 | -175.9 | 179.2 | 109 | -1.3 | 109 | D43 V44 P46 Y254 Q255 A277 M278 E280 | D43-R266 PolarHBondContact O-NE 3.12Å; V44-R266 WeakPolarHBondContact O-CD 3.5Å; P46-R266 HydrophobicContact CB-CB 3.89Å; Y254-R266 WeakPolarHBondContact O-CA 3.32Å; Q255-R266 HydrophobicContact CB-CG 3.89Å; Q255-R266 HydrophobicContact CG-CG 3.75Å; R266-A277 CarbonylContact O-C 3.56Å; R266-A277 VanDerWaalsContact O-CA 3.32Å; R266-A277 WeakPolarHBondContact O-CA 3.33Å; R266-M278 PolarHBondContact N-O 3.19Å; R266-M278 PolarHBondContact O-N 2.9Å; R266-E280 IonicContact NH1-OE1 3.5Å |
| 267 | A | 98.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 152.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A253 Y254 F265 S276 A277 | A253-A267 CarbonylContact C-O 3.5Å; A253-A267 WeakPolarHBondContact CA-O 3.47Å; Y254-A267 HydrophobicContact CD1-CB 4.31Å; Y254-A267 HydrophobicContact CE1-CB 3.72Å; Y254-A267 PolarHBondContact N-O 2.89Å; Y254-A267 PolarHBondContact O-N 2.81Å; F265-A267 HydrophobicContact CD1-CB 4.44Å; F265-A267 HydrophobicContact CE1-CB 3.53Å; F265-A267 HydrophobicContact CZ-CB 3.95Å; A267-S276 CarbonylContact C-O 3.54Å; A267-S276 WeakPolarHBondContact CA-O 3.27Å; A267-A277 HydrophobicContact CB-CB 4.16Å |
| 268 | S | 98.2 | Very high | 95.8 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 155.5 | 177.4 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | F252 V275 S276 | F252-S268 CarbonylContact O-C 3.52Å; F252-S268 WeakPolarHBondContact O-CA 3.31Å; F252-S268 WeakPolarHBondContact O-CB 3.25Å; S268-V275 WeakPolarHBondContact O-CA 3.45Å; S268-S276 PolarHBondContact N-O 2.71Å; S268-S276 PolarHBondContact O-N 2.95Å |
| 269 | I | 98 | Very high | 95.9 | Very high | 79 Ų | 79 | 56.2 Ų | 56.2 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.8 | 171.6 | -173.4 | 167.7 | 0 | 0 | 0 | 109.2 | S251 F252 T274 V275 | S251-I269 CarbonylContact C-O 3.56Å; S251-I269 VanDerWaalsContact CA-O 3.25Å; S251-I269 WeakPolarHBondContact CA-O 3.19Å; S251-I269 WeakPolarHBondContact CB-O 3.45Å; F252-I269 HydrophobicContact CB-CG2 4.34Å; F252-I269 HydrophobicContact CD1-CG2 4.4Å; F252-I269 PolarHBondContact N-O 2.94Å; F252-I269 PolarHBondContact O-N 3.41Å; I269-T274 VanDerWaalsContact CA-O 3.32Å; I269-T274 WeakPolarHBondContact CA-O 3.39Å; I269-V275 HydrophobicContact CD1-CG2 4Å; I269-V275 HydrophobicContact CG1-CG2 4.08Å |
| 270 | D | 96.8 | Very high | 96.2 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 169.8 | 176.1 | 71.3 | 21.4 | 0 | 0 | 0 | 113.1 | L249 A250 N272 F273 T274 | L249-D270 HydrophobicContact CD1-CB 3.82Å; L249-D270 HydrophobicContact CG-CB 4.5Å; A250-D270 CarbonylContact O-C 3.52Å; A250-D270 VanDerWaalsContact O-CA 3.28Å; A250-D270 WeakPolarHBondContact O-CA 3.13Å; D270-N272 PolarHBondContact O-N 2.88Å; D270-N272 VanDerWaalsContact OD1-C 3.28Å; D270-N272 VanDerWaalsContact OD1-CA 3.29Å; D270-N272 WeakPolarHBondContact OD1-CA 3.35Å; D270-N272 WeakPolarHBondContact OD1-CB 3.34Å; D270-N272 PolarHBondContact OD1-N 2.83Å; D270-F273 WeakPolarHBondContact O-CA 3.41Å; D270-F273 PolarHBondContact O-N 3.15Å; D270-F273 PolarHBondContact OD1-N 2.85Å; D270-F273 VanDerWaalsContact OD1-N 3.14Å; D270-T274 PolarHBondContact N-O 3.14Å; D270-T274 VanDerWaalsContact N-O 3.11Å; D270-T274 WeakPolarHBondContact OD1-CA 3.41Å; D270-T274 VanDerWaalsContact OD1-CB 3.31Å; D270-T274 WeakPolarHBondContact OD1-CB 3.49Å; D270-T274 PolarHBondContact OD1-N 2.98Å; D270-T274 PolarHBondContact OD1-OG1 3.25Å; D270-T274 VanDerWaalsContact OD2-CB 3.26Å; D270-T274 WeakPolarHBondContact OD2-CB 3.49Å; D270-T274 PolarHBondContact OD2-OG1 2.98Å |
| 271 | T | 96 | Very high | 96.4 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.7 | 177.5 | 47.2 | 0 | 0 | 0 | 0 | 114.2 | A250 F273 | A250-T271 HydrophobicContact CB-CG2 3.74Å; A250-T271 PolarHBondContact N-OG1 2.84Å; A250-T271 VanDerWaalsContact N-OG1 3.15Å; A250-T271 PolarHBondContact O-N 2.81Å; A250-T271 PolarHBondContact O-OG1 2.79Å; T271-F273 PolarHBondContact O-N 2.82Å |
| 272 | N | 94.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 54 Ų | 54 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 8.8 | 168.8 | -73.1 | -30.1 | 0 | 0 | 0 | 112.2 | L249 D270 T274 N297 | L249-N272 HydrophobicContact CD1-CB 4.48Å; L249-N272 WeakPolarHBondContact CD1-ND2 3.32Å; D270-N272 PolarHBondContact O-N 2.88Å; D270-N272 VanDerWaalsContact OD1-C 3.28Å; D270-N272 VanDerWaalsContact OD1-CA 3.29Å; D270-N272 WeakPolarHBondContact OD1-CA 3.35Å; D270-N272 WeakPolarHBondContact OD1-CB 3.34Å; D270-N272 PolarHBondContact OD1-N 2.83Å; N272-T274 PolarHBondContact O-N 3.48Å; N272-N297 PolarHBondContact O-ND2 2.96Å |
| 273 | F | 94.5 | Very high | 96.4 | Very high | 130 Ų | 130 | 53.5 Ų | 53.5 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | trans | 57.8 | 29.4 | -175.7 | -58.6 | -83.2 | 0 | 0 | 0 | 113.2 | D270 T271 V299 | D270-F273 WeakPolarHBondContact O-CA 3.41Å; D270-F273 PolarHBondContact O-N 3.15Å; D270-F273 PolarHBondContact OD1-N 2.85Å; D270-F273 VanDerWaalsContact OD1-N 3.14Å; T271-F273 PolarHBondContact O-N 2.82Å; F273-V299 HydrophobicContact CB-CG2 4.08Å; F273-V299 HydrophobicContact CD2-CG2 3.87Å; F273-V299 HydrophobicContact CG-CG2 4.32Å | ||
| 274 | T | 96.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 15% | 0.153 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 119.6 | 168.5 | -44.2 | 0 | 0 | 0 | 0 | 108.6 | I269 D270 N272 V295 M296 N297 | I269-T274 VanDerWaalsContact CA-O 3.32Å; I269-T274 WeakPolarHBondContact CA-O 3.39Å; D270-T274 PolarHBondContact N-O 3.14Å; D270-T274 VanDerWaalsContact N-O 3.11Å; D270-T274 WeakPolarHBondContact OD1-CA 3.41Å; D270-T274 VanDerWaalsContact OD1-CB 3.31Å; D270-T274 WeakPolarHBondContact OD1-CB 3.49Å; D270-T274 PolarHBondContact OD1-N 2.98Å; D270-T274 PolarHBondContact OD1-OG1 3.25Å; D270-T274 VanDerWaalsContact OD2-CB 3.26Å; D270-T274 WeakPolarHBondContact OD2-CB 3.49Å; D270-T274 PolarHBondContact OD2-OG1 2.98Å; N272-T274 PolarHBondContact O-N 3.48Å; T274-V295 HydrophobicContact CG2-CG1 3.6Å; T274-M296 CarbonylContact C-O 3.48Å; T274-M296 WeakPolarHBondContact CA-O 3.35Å; T274-N297 HydrophobicContact CG2-CB 4.4Å; T274-N297 PolarHBondContact OG1-ND2 2.94Å |
| 275 | V | 97.4 | Very high | 95.1 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.9 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 108 | S268 I269 V295 M296 | S268-V275 WeakPolarHBondContact O-CA 3.45Å; I269-V275 HydrophobicContact CD1-CG2 4Å; I269-V275 HydrophobicContact CG1-CG2 4.08Å; V275-V295 CarbonylContact O-C 3.56Å; V275-V295 WeakPolarHBondContact O-CA 3.49Å; V275-M296 PolarHBondContact N-O 3.41Å; V275-M296 PolarHBondContact O-N 3.25Å |
| 276 | S | 97.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.6 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | A267 S268 G294 | A267-S276 CarbonylContact C-O 3.54Å; A267-S276 WeakPolarHBondContact CA-O 3.27Å; S268-S276 PolarHBondContact N-O 2.71Å; S268-S276 PolarHBondContact O-N 2.95Å; S276-G294 CarbonylContact C-O 3.54Å; S276-G294 WeakPolarHBondContact CA-O 3.38Å |
| 277 | A | 98 | Very high | 93.9 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 147.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C48 F265 R266 A267 S293 G294 | C48-A277 PolarHBondContact SG-O 3.11Å; C48-A277 VanDerWaalsContact SG-O 3.42Å; F265-A277 HydrophobicContact CE2-CB 4.21Å; F265-A277 HydrophobicContact CZ-CB 3.89Å; R266-A277 CarbonylContact O-C 3.56Å; R266-A277 VanDerWaalsContact O-CA 3.32Å; R266-A277 WeakPolarHBondContact O-CA 3.33Å; A267-A277 HydrophobicContact CB-CB 4.16Å; A277-S293 CarbonylContact O-C 3.49Å; A277-S293 VanDerWaalsContact O-CA 3.28Å; A277-S293 WeakPolarHBondContact O-CA 3.29Å; A277-G294 PolarHBondContact N-O 2.8Å; A277-G294 PolarHBondContact O-N 3.02Å |
| 278 | M | 97.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 68.8 Ų | 68.8 | 7% | 0.069 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 126.5 | 179.5 | -174.4 | -175.4 | -175.7 | 0 | 0 | 110 | P46 F265 R266 E280 I291 L292 | P46-M278 HydrophobicContact CB-CB 3.69Å; F265-M278 CarbonylContact C-O 3.56Å; F265-M278 WeakPolarHBondContact CA-O 3.47Å; R266-M278 PolarHBondContact N-O 3.19Å; R266-M278 PolarHBondContact O-N 2.9Å; M278-E280 HydrophobicContact CE-CG 3.88Å; M278-E280 WeakPolarHBondContact CE-OE1 3.41Å; M278-I291 HydrophobicContact CE-CD1 4.35Å; M278-I291 HydrophobicContact CE-CG2 3.35Å; M278-I291 HydrophobicContact CG-CG2 4.09Å; M278-L292 CarbonylContact C-O 3.58Å; M278-L292 VanDerWaalsContact CA-O 3.24Å; M278-L292 WeakPolarHBondContact CA-O 3.32Å |
| 279 | L | 97.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.6 | 172.7 | 178.5 | 68.8 | 0 | 0 | 0 | 108.9 | A263 F265 I291 L292 | A263-L279 HydrophobicContact CB-CD1 4.39Å; F265-L279 HydrophobicContact CB-CD1 4.25Å; F265-L279 HydrophobicContact CD2-CB 4.05Å; F265-L279 HydrophobicContact CD2-CD1 4.08Å; L279-I291 CarbonylContact O-C 3.48Å; L279-I291 WeakPolarHBondContact O-CA 3.36Å; L279-L292 HydrophobicContact CB-CB 4.36Å; L279-L292 HydrophobicContact CD2-CD1 4.33Å; L279-L292 PolarHBondContact N-O 3.27Å; L279-L292 PolarHBondContact O-N 3.44Å |
| 280 | E | 96.4 | Very high | 93.3 | Very high | 43 Ų | 43 | 67.6 Ų | 67.6 | 20% | 0.201 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.7 | 169.2 | -63.5 | -176.7 | -170.1 | 0 | 0 | 109.1 | A263 S264 R266 M278 I290 I291 | A263-E280 CarbonylContact C-O 3.52Å; A263-E280 WeakPolarHBondContact CA-O 3.46Å; S264-E280 PolarHBondContact N-O 3.26Å; S264-E280 PolarHBondContact O-N 3Å; R266-E280 IonicContact NH1-OE1 3.5Å; M278-E280 HydrophobicContact CE-CG 3.88Å; M278-E280 WeakPolarHBondContact CE-OE1 3.41Å; E280-I290 CarbonylContact C-O 3.57Å; E280-I290 WeakPolarHBondContact CA-O 3.41Å; E280-I291 HydrophobicContact CG-CG1 4.16Å; E280-I291 HydrophobicContact CG-CG2 4.23Å |
| 281 | K | 96 | Very high | 93.3 | Very high | 74 Ų | 74 | 67 Ų | 67 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 115.7 | 179.2 | 175.6 | 70.3 | 179.1 | -153.5 | 0 | 109.8 | A261 A263 L283 T289 I290 | A261-K281 VanDerWaalsContact O-CD 3.3Å; A261-K281 WeakPolarHBondContact O-CD 3.47Å; A261-K281 WeakPolarHBondContact O-CE 3.36Å; A261-K281 PolarHBondContact O-NZ 2.84Å; A263-K281 HydrophobicContact CB-CD 3.9Å; K281-L283 HydrophobicContact CG-CD2 3.93Å; K281-T289 CarbonylContact O-C 3.49Å; K281-T289 WeakPolarHBondContact O-CA 3.28Å; K281-I290 PolarHBondContact N-O 2.97Å; K281-I290 PolarHBondContact O-N 2.92Å |
| 282 | R | 93.5 | Very high | 93.4 | Very high | 156 Ų | 156 | 67.4 Ų | 67.4 | 59% | 0.589 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.5 | 173.2 | -57.6 | 178.6 | -177.9 | 152.7 | 3 | 109.5 | N262 S284 T289 | N262-R282 HydrophobicContact CB-CB 4.17Å; N262-R282 WeakPolarHBondContact CB-O 3.35Å; N262-R282 PolarHBondContact O-N 2.79Å; R282-S284 PolarHBondContact O-N 3.08Å; R282-T289 HydrophobicContact CG-CG2 3.96Å |
| 283 | L | 89.8 | Confident | 93.4 | Very high | 69 Ų | 69 | 63.8 Ų | 63.8 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | trans | -99.5 | 69.1 | -174.7 | -63.2 | -179.5 | 0 | 0 | 0 | 111.6 | K281 M286 F288 I290 | K281-L283 HydrophobicContact CG-CD2 3.93Å; L283-M286 CarbonylContact C-O 3.46Å; L283-M286 CarbonylContact O-C 3.52Å; L283-M286 PolarHBondContact O-N 2.87Å; L283-F288 HydrophobicContact CB-CB 4.35Å; L283-F288 HydrophobicContact CD1-CB 4.35Å; L283-F288 PolarHBondContact N-O 3.27Å; L283-I290 HydrophobicContact CD1-CD1 3.62Å; L283-I290 HydrophobicContact CD1-CG1 3.86Å; L283-I290 HydrophobicContact CG-CD1 4.43Å; L283-I290 HydrophobicContact CG-CG1 4.44Å | ||
| 284 | S | 82.6 | Confident | 93.5 | Very high | 83 Ų | 83 | 58.5 Ų | 58.5 | 58% | 0.58 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 140.2 | 173.2 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | N262 R282 | N262-S284 PolarHBondContact ND2-OG 2.89Å; R282-S284 PolarHBondContact O-N 3.08Å |
| 285 | P | 83.3 | Confident | 93.5 | Very high | 135 Ų | 135 | 59 Ų | 59 | 88% | 0.877 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.3 | -7.4 | 9.9 | 34.5 | -36.3 | 0 | 0 | 0 | 115.3 | ||
| 286 | M | 84 | Confident | 93.4 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -74.3 | 146.9 | 179.9 | -63.3 | -68.4 | -77.8 | 0 | 0 | 110.3 | L283 F288 | L283-M286 CarbonylContact C-O 3.46Å; L283-M286 CarbonylContact O-C 3.52Å; L283-M286 PolarHBondContact O-N 2.87Å; M286-F288 HydrophobicContact CB-CD2 3.55Å; M286-F288 HydrophobicContact CB-CE2 4.1Å; M286-F288 HydrophobicContact CE-CD2 4.32Å; M286-F288 HydrophobicContact CE-CE2 3.63Å; M286-F288 HydrophobicContact CG-CD2 4.35Å; M286-F288 PolarHBondContact O-N 3Å |
| 287 | P | 86.1 | Confident | 93.3 | Very high | 73 Ų | 73 | 59 Ų | 59 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -82.9 | 43.2 | -178.4 | 37.3 | -38.1 | 0 | 0 | 0 | 112 | L311 G312 | P287-L311 HydrophobicContact CG-CD1 3.99Å; P287-G312 WeakPolarHBondContact CB-O 3.42Å; P287-G312 WeakPolarHBondContact CG-O 3.43Å; P287-G312 PolarHBondContact O-N 3.31Å |
| 288 | F | 91 | Very high | 92.7 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.7 | 175.6 | -68.9 | -67.8 | 0 | 0 | 0 | 110.9 | L283 M286 V310 L311 | L283-F288 HydrophobicContact CB-CB 4.35Å; L283-F288 HydrophobicContact CD1-CB 4.35Å; L283-F288 PolarHBondContact N-O 3.27Å; M286-F288 HydrophobicContact CB-CD2 3.55Å; M286-F288 HydrophobicContact CB-CE2 4.1Å; M286-F288 HydrophobicContact CE-CD2 4.32Å; M286-F288 HydrophobicContact CE-CE2 3.63Å; M286-F288 HydrophobicContact CG-CD2 4.35Å; M286-F288 PolarHBondContact O-N 3Å; F288-V310 CarbonylContact C-O 3.55Å; F288-V310 WeakPolarHBondContact CA-O 3.47Å; F288-L311 HydrophobicContact CD1-CB 4.18Å; F288-L311 HydrophobicContact CD1-CD1 3.77Å; F288-L311 HydrophobicContact CD1-CG 4.47Å; F288-L311 HydrophobicContact CE1-CB 4.12Å; F288-L311 HydrophobicContact CE1-CD1 3.53Å; F288-L311 HydrophobicContact CE1-CD2 4.07Å; F288-L311 HydrophobicContact CE1-CG 4.1Å; F288-L311 HydrophobicContact CG-CD1 4.46Å; F288-L311 HydrophobicContact CZ-CD1 4.01Å |
| 289 | T | 94.9 | Very high | 92.3 | Very high | 25 Ų | 25 | 67.2 Ų | 67.2 | 15% | 0.153 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.7 | 165.6 | -51.4 | 0 | 0 | 0 | 0 | 108.7 | K281 R282 I291 F309 V310 | K281-T289 CarbonylContact O-C 3.49Å; K281-T289 WeakPolarHBondContact O-CA 3.28Å; R282-T289 HydrophobicContact CG-CG2 3.96Å; T289-I291 HydrophobicContact CG2-CG1 4.35Å; T289-F309 WeakPolarHBondContact O-CA 3.16Å; T289-V310 PolarHBondContact N-O 3.02Å; T289-V310 PolarHBondContact O-N 3.22Å |
| 290 | I | 95.8 | Very high | 92 | Very high | 46 Ų | 46 | 71.2 Ų | 71.2 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.8 | 170.1 | -61.9 | -177.9 | 0 | 0 | 0 | 107.8 | E280 K281 L283 L292 L307 G308 F309 | E280-I290 CarbonylContact C-O 3.57Å; E280-I290 WeakPolarHBondContact CA-O 3.41Å; K281-I290 PolarHBondContact N-O 2.97Å; K281-I290 PolarHBondContact O-N 2.92Å; L283-I290 HydrophobicContact CD1-CD1 3.62Å; L283-I290 HydrophobicContact CD1-CG1 3.86Å; L283-I290 HydrophobicContact CG-CD1 4.43Å; L283-I290 HydrophobicContact CG-CG1 4.44Å; I290-L292 HydrophobicContact CG2-CG 4.44Å; I290-L307 HydrophobicContact CG2-CD1 4.19Å; I290-G308 CarbonylContact C-O 3.51Å; I290-G308 WeakPolarHBondContact CA-O 3.09Å; I290-F309 HydrophobicContact CD1-CE1 4.03Å; I290-F309 HydrophobicContact CG1-CD1 4.02Å; I290-F309 HydrophobicContact CG1-CE1 3.85Å |
| 291 | I | 96.9 | Very high | 91.6 | Very high | 21 Ų | 21 | 76.3 Ų | 76.3 | 11% | 0.108 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127 | 175.5 | -52.5 | -177.8 | 0 | 0 | 0 | 107.8 | F49 M278 L279 E280 T289 L307 G308 V310 | F49-I291 HydrophobicContact CE1-CB 4.39Å; F49-I291 HydrophobicContact CE1-CG2 3.74Å; F49-I291 HydrophobicContact CZ-CB 4.44Å; F49-I291 HydrophobicContact CZ-CG2 4.2Å; M278-I291 HydrophobicContact CE-CD1 4.35Å; M278-I291 HydrophobicContact CE-CG2 3.35Å; M278-I291 HydrophobicContact CG-CG2 4.09Å; L279-I291 CarbonylContact O-C 3.48Å; L279-I291 WeakPolarHBondContact O-CA 3.36Å; E280-I291 HydrophobicContact CG-CG1 4.16Å; E280-I291 HydrophobicContact CG-CG2 4.23Å; T289-I291 HydrophobicContact CG2-CG1 4.35Å; I291-L307 CarbonylContact O-C 3.56Å; I291-G308 PolarHBondContact N-O 3.04Å; I291-G308 PolarHBondContact O-N 3.29Å; I291-V310 HydrophobicContact CD1-CG2 3.68Å; I291-V310 HydrophobicContact CG1-CG2 4.36Å |
| 292 | L | 97.1 | Very high | 91.4 | Very high | 82 Ų | 82 | 75.5 Ų | 75.5 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.7 | 170.4 | -69 | 166 | 0 | 0 | 0 | 107.2 | M278 L279 I290 G306 L307 | M278-L292 CarbonylContact C-O 3.58Å; M278-L292 VanDerWaalsContact CA-O 3.24Å; M278-L292 WeakPolarHBondContact CA-O 3.32Å; L279-L292 HydrophobicContact CB-CB 4.36Å; L279-L292 HydrophobicContact CD2-CD1 4.33Å; L279-L292 PolarHBondContact N-O 3.27Å; L279-L292 PolarHBondContact O-N 3.44Å; I290-L292 HydrophobicContact CG2-CG 4.44Å; L292-G306 WeakPolarHBondContact CA-O 3.49Å; L292-L307 HydrophobicContact CD2-CD1 3.42Å; L292-L307 VanDerWaalsContact CD2-CD1 3.42Å; L292-L307 HydrophobicContact CG-CD1 4.34Å |
| 293 | S | 95.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 74.7 Ų | 74.7 | 5% | 0.049 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 151.1 | 173.6 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | F49 A277 V305 G306 | F49-S293 WeakPolarHBondContact CD1-OG 3.46Å; F49-S293 PolarHBondContact N-OG 3.02Å; F49-S293 VanDerWaalsContact N-OG 3.14Å; F49-S293 PolarHBondContact O-OG 2.91Å; A277-S293 CarbonylContact O-C 3.49Å; A277-S293 VanDerWaalsContact O-CA 3.28Å; A277-S293 WeakPolarHBondContact O-CA 3.29Å; S293-V305 CarbonylContact O-C 3.53Å; S293-V305 WeakPolarHBondContact O-CA 3.46Å; S293-G306 PolarHBondContact N-O 2.87Å; S293-G306 PolarHBondContact O-N 2.82Å; S293-G306 WeakPolarHBondContact OG-CA 3.32Å |
| 294 | G | 96.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 76.9 Ų | 76.9 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 142.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C48 S276 A277 R304 | C48-G294 PolarHBondContact SG-O 3.44Å; S276-G294 CarbonylContact C-O 3.54Å; S276-G294 WeakPolarHBondContact CA-O 3.38Å; A277-G294 PolarHBondContact N-O 2.8Å; A277-G294 PolarHBondContact O-N 3.02Å; G294-R304 CarbonylContact C-O 3.54Å; G294-R304 WeakPolarHBondContact CA-O 3.33Å |
| 295 | V | 96.4 | Very high | 92.1 | Very high | 35 Ų | 35 | 76.4 Ų | 76.4 | 21% | 0.212 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.7 | 169 | -176.9 | 0 | 0 | 0 | 0 | 108 | C48 T274 V275 F303 R304 | C48-V295 HydrophobicContact CB-CG2 3.34Å; T274-V295 HydrophobicContact CG2-CG1 3.6Å; V275-V295 CarbonylContact O-C 3.56Å; V275-V295 WeakPolarHBondContact O-CA 3.49Å; V295-F303 WeakPolarHBondContact O-CA 3.41Å; V295-R304 PolarHBondContact N-O 2.89Å; V295-R304 PolarHBondContact O-N 2.96Å |
| 296 | M | 95.5 | Very high | 92.7 | Very high | 67 Ų | 67 | 70 Ų | 70 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.1 | 178.9 | -172.8 | 176 | 69.7 | 0 | 0 | 109 | T274 V275 N298 V302 F303 | T274-M296 CarbonylContact C-O 3.48Å; T274-M296 WeakPolarHBondContact CA-O 3.35Å; V275-M296 PolarHBondContact N-O 3.41Å; V275-M296 PolarHBondContact O-N 3.25Å; M296-N298 WeakPolarHBondContact CG-OD1 3.38Å; M296-N298 PolarHBondContact SD-OD1 2.93Å; M296-V302 CarbonylContact C-O 3.53Å; M296-V302 WeakPolarHBondContact CA-O 3.24Å; M296-F303 HydrophobicContact CB-CD2 3.86Å; M296-F303 HydrophobicContact CB-CE2 4.33Å; M296-F303 HydrophobicContact CG-CD2 4Å; M296-F303 HydrophobicContact SD-CD2 4.49Å |
| 297 | N | 94.7 | Very high | 93.3 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 107.9 | 166.5 | -174.3 | -57 | 0 | 0 | 0 | 108.1 | N272 T274 V299 K300 N301 V302 | N272-N297 PolarHBondContact O-ND2 2.96Å; T274-N297 HydrophobicContact CG2-CB 4.4Å; T274-N297 PolarHBondContact OG1-ND2 2.94Å; N297-V299 WeakPolarHBondContact OD1-CB 3.47Å; N297-V299 PolarHBondContact OD1-N 3.08Å; N297-V299 VanDerWaalsContact OD1-N 3.08Å; N297-K300 HydrophobicContact CB-CB 4.42Å; N297-K300 PolarHBondContact OD1-N 3.29Å; N297-N301 WeakPolarHBondContact O-CA 3.22Å; N297-N301 PolarHBondContact O-N 3.16Å; N297-V302 PolarHBondContact N-O 2.87Å; N297-V302 PolarHBondContact O-N 2.61Å |
| 298 | N | 85.3 | Confident | 93.8 | Very high | 110 Ų | 110 | 64.5 Ų | 64.5 | 59% | 0.588 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -33.2 | -176.1 | -70.8 | -24.7 | 0 | 0 | 0 | 112.4 | M296 K300 N301 | M296-N298 WeakPolarHBondContact CG-OD1 3.38Å; M296-N298 PolarHBondContact SD-OD1 2.93Å; N298-K300 VanDerWaalsContact C-N 3.34Å; N298-N301 PolarHBondContact O-N 2.86Å |
| 299 | V | 88.7 | Confident | 94 | Very high | 106 Ų | 106 | 65 Ų | 65 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -42 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | F273 N297 | F273-V299 HydrophobicContact CB-CG2 4.08Å; F273-V299 HydrophobicContact CD2-CG2 3.87Å; F273-V299 HydrophobicContact CG-CG2 4.32Å; N297-V299 WeakPolarHBondContact OD1-CB 3.47Å; N297-V299 PolarHBondContact OD1-N 3.08Å; N297-V299 VanDerWaalsContact OD1-N 3.08Å |
| 300 | K | 90.9 | Very high | 94 | Very high | 148 Ų | 148 | 65.1 Ų | 65.1 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.9 | 178.6 | -61.7 | -178.6 | -178.9 | 178.4 | 0 | 113 | N297 N298 V302 | N297-K300 HydrophobicContact CB-CB 4.42Å; N297-K300 PolarHBondContact OD1-N 3.29Å; N298-K300 VanDerWaalsContact C-N 3.34Å; K300-V302 HydrophobicContact CB-CG2 3.97Å; K300-V302 PolarHBondContact O-N 3.01Å |
| 301 | N | 89.4 | Confident | 93.8 | Very high | 150 Ų | 150 | 65.4 Ų | 65.4 | 80% | 0.802 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 44 | -172.7 | -161.9 | 12.5 | 0 | 0 | 0 | 112.9 | N297 N298 | N297-N301 WeakPolarHBondContact O-CA 3.22Å; N297-N301 PolarHBondContact O-N 3.16Å; N298-N301 PolarHBondContact O-N 2.86Å |
| 302 | V | 90.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 65.7 Ų | 65.7 | 35% | 0.345 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.5 | 179.1 | 177 | 0 | 0 | 0 | 0 | 109 | M296 N297 K300 R304 | M296-V302 CarbonylContact C-O 3.53Å; M296-V302 WeakPolarHBondContact CA-O 3.24Å; N297-V302 PolarHBondContact N-O 2.87Å; N297-V302 PolarHBondContact O-N 2.61Å; K300-V302 HydrophobicContact CB-CG2 3.97Å; K300-V302 PolarHBondContact O-N 3.01Å; V302-R304 HydrophobicContact CG1-CG 4.21Å |
| 303 | F | 92.6 | Very high | 91.5 | Very high | 139 Ų | 139 | 65.4 Ų | 65.4 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.5 | 173.4 | -175.4 | -111.8 | 0 | 0 | 0 | 109.8 | V295 M296 V305 | V295-F303 WeakPolarHBondContact O-CA 3.41Å; M296-F303 HydrophobicContact CB-CD2 3.86Å; M296-F303 HydrophobicContact CB-CE2 4.33Å; M296-F303 HydrophobicContact CG-CD2 4Å; M296-F303 HydrophobicContact SD-CD2 4.49Å; F303-V305 HydrophobicContact CD1-CG2 3.9Å; F303-V305 HydrophobicContact CE1-CG2 3.11Å; F303-V305 HydrophobicContact CE2-CG2 4.25Å; F303-V305 HydrophobicContact CZ-CG2 3.32Å |
| 304 | R | 93.7 | Very high | 91.3 | Very high | 114 Ų | 114 | 68.3 Ų | 68.3 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.2 | -179.4 | -64.3 | -179.6 | -172.5 | 165.8 | -0.3 | 109.4 | D50 G294 V295 V302 | D50-R304 HydrophobicContact CB-CB 4.2Å; G294-R304 CarbonylContact C-O 3.54Å; G294-R304 WeakPolarHBondContact CA-O 3.33Å; V295-R304 PolarHBondContact N-O 2.89Å; V295-R304 PolarHBondContact O-N 2.96Å; V302-R304 HydrophobicContact CG1-CG 4.21Å |
| 305 | V | 95.2 | Very high | 91 | Very high | 73 Ų | 73 | 70.9 Ų | 70.9 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.9 | -177.6 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | D50 G51 S293 F303 | D50-V305 PolarHBondContact OD1-N 3.02Å; G51-V305 PolarHBondContact N-O 3.11Å; S293-V305 CarbonylContact O-C 3.53Å; S293-V305 WeakPolarHBondContact O-CA 3.46Å; F303-V305 HydrophobicContact CD1-CG2 3.9Å; F303-V305 HydrophobicContact CE1-CG2 3.11Å; F303-V305 HydrophobicContact CE2-CG2 4.25Å; F303-V305 HydrophobicContact CZ-CG2 3.32Å |
| 306 | G | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F49 G51 L292 S293 | F49-G306 VanDerWaalsContact O-CA 3.32Å; F49-G306 WeakPolarHBondContact O-CA 3.3Å; F49-G306 PolarHBondContact O-N 3.14Å; G51-G306 CarbonylContact O-C 3.56Å; G51-G306 WeakPolarHBondContact O-CA 3.41Å; L292-G306 WeakPolarHBondContact CA-O 3.49Å; S293-G306 PolarHBondContact N-O 2.87Å; S293-G306 PolarHBondContact O-N 2.82Å; S293-G306 WeakPolarHBondContact OG-CA 3.32Å |
| 307 | L | 96.9 | Very high | 90.4 | Very high | 69 Ų | 69 | 73.2 Ų | 73.2 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.6 | 166.8 | 177.2 | 68.1 | 0 | 0 | 0 | 109.6 | G51 A52 K53 I290 I291 L292 F309 | G51-L307 PolarHBondContact O-N 2.92Å; A52-L307 CarbonylContact C-O 3.59Å; A52-L307 WeakPolarHBondContact CA-O 3.46Å; K53-L307 PolarHBondContact N-O 3.08Å; I290-L307 HydrophobicContact CG2-CD1 4.19Å; I291-L307 CarbonylContact O-C 3.56Å; L292-L307 HydrophobicContact CD2-CD1 3.42Å; L292-L307 VanDerWaalsContact CD2-CD1 3.42Å; L292-L307 HydrophobicContact CG-CD1 4.34Å; L307-F309 HydrophobicContact CD1-CE2 4.22Å; L307-F309 HydrophobicContact CD1-CZ 4.28Å; L307-F309 HydrophobicContact CD2-CE2 3.7Å; L307-F309 HydrophobicContact CD2-CZ 4.1Å; L307-F309 HydrophobicContact CG-CD2 4.49Å; L307-F309 HydrophobicContact CG-CE2 3.74Å; L307-F309 HydrophobicContact CG-CZ 4.26Å |
| 308 | G | 96.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 77.3 Ų | 77.3 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K53 I290 I291 | K53-G308 CarbonylContact O-C 3.43Å; K53-G308 WeakPolarHBondContact O-CA 3.42Å; I290-G308 CarbonylContact C-O 3.51Å; I290-G308 WeakPolarHBondContact CA-O 3.09Å; I291-G308 PolarHBondContact N-O 3.04Å; I291-G308 PolarHBondContact O-N 3.29Å |
| 309 | F | 95.3 | Very high | 90.5 | Very high | 85 Ų | 85 | 75.1 Ų | 75.1 | 37% | 0.373 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.4 | 169.4 | -66.1 | -87.7 | 0 | 0 | 0 | 108.8 | K53 L54 L55 T289 I290 L307 | K53-F309 PolarHBondContact O-N 2.82Å; L54-F309 CarbonylContact C-O 3.55Å; L54-F309 WeakPolarHBondContact CA-O 3.44Å; L54-F309 HydrophobicContact CD1-CB 3.87Å; L55-F309 PolarHBondContact N-O 3.25Å; T289-F309 WeakPolarHBondContact O-CA 3.16Å; I290-F309 HydrophobicContact CD1-CE1 4.03Å; I290-F309 HydrophobicContact CG1-CD1 4.02Å; I290-F309 HydrophobicContact CG1-CE1 3.85Å; L307-F309 HydrophobicContact CD1-CE2 4.22Å; L307-F309 HydrophobicContact CD1-CZ 4.28Å; L307-F309 HydrophobicContact CD2-CE2 3.7Å; L307-F309 HydrophobicContact CD2-CZ 4.1Å; L307-F309 HydrophobicContact CG-CD2 4.49Å; L307-F309 HydrophobicContact CG-CE2 3.74Å; L307-F309 HydrophobicContact CG-CZ 4.26Å |
| 310 | V | 94.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 72.9 Ų | 72.9 | 17% | 0.17 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.5 | 171.1 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | L55 F288 T289 I291 | L55-V310 HydrophobicContact CB-CB 4.46Å; L55-V310 HydrophobicContact CB-CG1 4.27Å; L55-V310 HydrophobicContact CB-CG2 4.13Å; L55-V310 HydrophobicContact CD2-CG1 3.92Å; L55-V310 HydrophobicContact CD2-CG2 4.17Å; L55-V310 HydrophobicContact CG-CG1 4.33Å; L55-V310 CarbonylContact O-C 3.51Å; L55-V310 VanDerWaalsContact O-CA 3.28Å; L55-V310 WeakPolarHBondContact O-CA 3.48Å; F288-V310 CarbonylContact C-O 3.55Å; F288-V310 WeakPolarHBondContact CA-O 3.47Å; T289-V310 PolarHBondContact N-O 3.02Å; T289-V310 PolarHBondContact O-N 3.22Å; I291-V310 HydrophobicContact CD1-CG2 3.68Å; I291-V310 HydrophobicContact CG1-CG2 4.36Å |
| 311 | L | 91.9 | Very high | 90.6 | Very high | 53 Ų | 53 | 67.1 Ų | 67.1 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.2 | 170.3 | 176.7 | 55.8 | 0 | 0 | 0 | 108 | L55 I56 N57 P287 F288 | L55-L311 PolarHBondContact O-N 3.1Å; I56-L311 WeakPolarHBondContact CA-O 3.32Å; I56-L311 HydrophobicContact CG1-CB 4.48Å; I56-L311 HydrophobicContact CG2-CD2 4.4Å; N57-L311 PolarHBondContact N-O 2.84Å; P287-L311 HydrophobicContact CG-CD1 3.99Å; F288-L311 HydrophobicContact CD1-CB 4.18Å; F288-L311 HydrophobicContact CD1-CD1 3.77Å; F288-L311 HydrophobicContact CD1-CG 4.47Å; F288-L311 HydrophobicContact CE1-CB 4.12Å; F288-L311 HydrophobicContact CE1-CD1 3.53Å; F288-L311 HydrophobicContact CE1-CD2 4.07Å; F288-L311 HydrophobicContact CE1-CG 4.1Å; F288-L311 HydrophobicContact CG-CD1 4.46Å; F288-L311 HydrophobicContact CZ-CD1 4.01Å |
| 312 | G | 82.7 | Confident | 90.7 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 149 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P287 | P287-G312 WeakPolarHBondContact CB-O 3.42Å; P287-G312 WeakPolarHBondContact CG-O 3.43Å; P287-G312 PolarHBondContact O-N 3.31Å |
| 313 | G | 62.4 | Low | 90.6 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 77% | 0.773 | 34% | 0.34 | S | S | * | . | trans | 169.2 | 0 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N57 K58 G59 | N57-G313 PolarHBondContact O-N 2.76Å; K58-G313 CarbonylContact C-O 3.56Å; K58-G313 VanDerWaalsContact CA-O 3.26Å; K58-G313 WeakPolarHBondContact CA-O 3.42Å; K58-G313 WeakPolarHBondContact CD-O 3.46Å; K58-G313 PolarHBondContact NZ-OXT 3.13Å; G59-G313 PolarHBondContact N-O 2.8Å |
Retrieved 313 of 313 residues in 987.9 ms
(Link to these results)