| 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 | 46.7 | Very low | 53.9 | Low | 243 Ų | 243 | 148.7 Ų | 148.7 | 100% | 1.197 | 71% | 0.709 | S | S | * | * | 0 | 120.6 | 0 | -80 | 154.4 | 67.3 | 0 | 0 | 108.4 | K3 | M1-K3 PolarHBondContact O-N 3.21Š| |||
| 2 | N | 50.8 | Low | 54 | Low | 117 Ų | 117 | 143.1 Ų | 143.1 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | trans | -77.3 | 106.6 | -156.2 | -151.9 | 15.7 | 0 | 0 | 0 | 111.9 | Y4 F5 | N2-Y4 PolarHBondContact O-N 3.44Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.35Å; N2-F5 PolarHBondContact O-N 2.95Å; N2-F5 VanDerWaalsContact O-N 3.15Å | ||
| 3 | K | 54.6 | Low | 54.1 | Low | 164 Ų | 164 | 139.5 Ų | 139.5 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -12.5 | -175.4 | -157.1 | 170.1 | 78.3 | 176.5 | 0 | 113.9 | M1 | M1-K3 PolarHBondContact O-N 3.21Š|
| 4 | Y | 57.7 | Low | 54.1 | Low | 179 Ų | 179 | 139.4 Ų | 139.4 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -25 | 176.9 | -65.5 | -82.4 | 0 | 0 | 0 | 113.5 | N2 L6 F7 | N2-Y4 PolarHBondContact O-N 3.44Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.35Å; Y4-L6 VanDerWaalsContact C-N 3.32Å; Y4-L6 PolarHBondContact O-N 2.68Å; Y4-F7 PolarHBondContact O-N 2.61Å |
| 5 | F | 53.6 | Low | 54.2 | Low | 164 Ų | 164 | 138.7 Ų | 138.7 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.5 | -27.6 | -175.9 | -138 | -91.6 | 0 | 0 | 0 | 112.8 | N2 | N2-F5 PolarHBondContact O-N 2.95Å; N2-F5 VanDerWaalsContact O-N 3.15Å |
| 6 | L | 54.1 | Low | 54.1 | Low | 143 Ų | 143 | 137.1 Ų | 137.1 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.8 | -20.4 | 179.4 | -82.7 | 155.6 | 0 | 0 | 0 | 113.7 | Y4 | Y4-L6 VanDerWaalsContact C-N 3.32Å; Y4-L6 PolarHBondContact O-N 2.68Å |
| 7 | F | 52.2 | Low | 54.1 | Low | 162 Ų | 162 | 133.8 Ų | 133.8 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -95.1 | -10.4 | 178 | -85.3 | -79.4 | 0 | 0 | 0 | 114 | Y4 P10 | Y4-F7 PolarHBondContact O-N 2.61Å; F7-P10 WeakPolarHBondContact O-CD 3.27Å |
| 8 | L | 54.5 | Low | 54.4 | Low | 107 Ų | 107 | 132.8 Ų | 132.8 | 56% | 0.56 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -81.1 | -24.8 | 176.4 | -92.9 | 146.8 | 0 | 0 | 0 | 113.1 | ||
| 9 | F | 55.8 | Low | 55.1 | Low | 165 Ų | 165 | 132.4 Ų | 132.4 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67.8 | -41.9 | -177 | -152.1 | -98.5 | 0 | 0 | 0 | 115.1 | L11 | F9-L11 VanDerWaalsContact C-N 3.32Å; F9-L11 PolarHBondContact O-N 2.86Å |
| 10 | P | 57.8 | Low | 56.7 | Low | 75 Ų | 75 | 129.3 Ų | 129.3 | 49% | 0.487 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -74.7 | -22 | 179.5 | 28.5 | -33 | 0 | 0 | 0 | 113.1 | F7 | F7-P10 WeakPolarHBondContact O-CD 3.27Å |
| 11 | L | 55.5 | Low | 58.5 | Low | 117 Ų | 117 | 124.5 Ų | 124.5 | 61% | 0.613 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.1 | -35.4 | -179.4 | -141.2 | 82.1 | 0 | 0 | 0 | 111.9 | F9 C13 L14 I15 | F9-L11 VanDerWaalsContact C-N 3.32Å; F9-L11 PolarHBondContact O-N 2.86Å; L11-C13 VanDerWaalsContact C-N 3.34Å; L11-C13 PolarHBondContact O-N 3.26Å; L11-L14 PolarHBondContact O-N 2.97Å; L11-I15 WeakPolarHBondContact O-CG1 3.19Å |
| 12 | C | 55 | Low | 60.8 | Low | 81 Ų | 81 | 115.2 Ų | 115.2 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.5 | -28.9 | 177.5 | -86.6 | 0 | 0 | 0 | 0 | 113.9 | L14 | C12-L14 VanDerWaalsContact C-N 3.31Å; C12-L14 PolarHBondContact O-N 2.73Å |
| 13 | C | 55.4 | Low | 63 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 66% | 0.655 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.9 | -23.8 | 179.6 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | L11 | L11-C13 VanDerWaalsContact C-N 3.34Å; L11-C13 PolarHBondContact O-N 3.26Å |
| 14 | L | 53.6 | Low | 64.9 | Low | 138 Ų | 138 | 103 Ų | 103 | 72% | 0.723 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -17.4 | -178.8 | -76.1 | 159.8 | 0 | 0 | 0 | 113.4 | L11 C12 | L11-L14 PolarHBondContact O-N 2.97Å; C12-L14 VanDerWaalsContact C-N 3.31Å; C12-L14 PolarHBondContact O-N 2.73Å |
| 15 | I | 55.3 | Low | 66.7 | Low | 129 Ų | 129 | 95.6 Ų | 95.6 | 66% | 0.662 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -13.1 | -171.7 | -19.6 | 176.5 | 0 | 0 | 0 | 112.8 | L11 | L11-I15 WeakPolarHBondContact O-CG1 3.19Š|
| 16 | V | 52.6 | Low | 68.6 | Low | 113 Ų | 113 | 87.8 Ų | 87.8 | 69% | 0.685 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 39.4 | 179.8 | -165.1 | 0 | 0 | 0 | 0 | 110.8 | V18 | V16-V18 HydrophobicContact CG1-CG2 4.14Å; V16-V18 PolarHBondContact O-N 3.48Å |
| 17 | A | 54.4 | Low | 70.2 | Confident | 81 Ų | 81 | 85.3 Ų | 85.3 | 67% | 0.669 | 48% | 0.479 | S | S | * | . | trans | -78.9 | 73.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | T19 | A17-T19 PolarHBondContact O-N 2.99Š| ||
| 18 | V | 59.5 | Low | 71.8 | Confident | 115 Ų | 115 | 80.3 Ų | 80.3 | 70% | 0.697 | 46% | 0.459 | S | S | * | . | trans | -60.8 | 108.2 | 165 | 179 | 0 | 0 | 0 | 0 | 105.3 | V16 S20 | V16-V18 HydrophobicContact CG1-CG2 4.14Å; V16-V18 PolarHBondContact O-N 3.48Å; V18-S20 PolarHBondContact O-N 2.98Å | ||
| 19 | T | 67.7 | Low | 73.2 | Confident | 126 Ų | 126 | 77.5 Ų | 77.5 | 77% | 0.773 | 44% | 0.441 | S | S | * | . | trans | -61.7 | 106 | 177.7 | 51.1 | 0 | 0 | 0 | 0 | 108 | A17 L21 | A17-T19 PolarHBondContact O-N 2.99Å; T19-L21 PolarHBondContact O-N 3.36Å | ||
| 20 | S | 86.4 | Confident | 74.5 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 49% | 0.49 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 127.7 | -179.5 | -49.8 | 0 | 0 | 0 | 0 | 110 | V18 Q22 | V18-S20 PolarHBondContact O-N 2.98Å; S20-Q22 PolarHBondContact O-N 2.75Å |
| 21 | L | 94.8 | Very high | 75.2 | Confident | 29 Ų | 29 | 76.7 Ų | 76.7 | 15% | 0.152 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 125.4 | -179.9 | 172.2 | 68.9 | 0 | 0 | 0 | 110.2 | T19 T43 A44 H91 | T19-L21 PolarHBondContact O-N 3.36Å; L21-T43 CarbonylContact O-C 3.57Å; L21-T43 WeakPolarHBondContact O-CA 3.45Å; L21-A44 HydrophobicContact CB-CB 3.99Å; L21-A44 HydrophobicContact CD2-CB 4Å; L21-A44 HydrophobicContact CG-CB 4.13Å; L21-A44 PolarHBondContact O-N 3.47Å; L21-H91 WeakPolarHBondContact CD1-O 3.41Å |
| 22 | Q | 96.3 | Very high | 75.9 | Confident | 47 Ų | 47 | 76 Ų | 76 | 22% | 0.22 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 137.1 | 175.8 | -61.8 | -65.4 | -22.6 | 0 | 0 | 110.3 | S20 C42 T43 N92 Y93 | S20-Q22 PolarHBondContact O-N 2.75Å; Q22-C42 CarbonylContact C-O 3.49Å; Q22-C42 WeakPolarHBondContact CA-O 3.15Å; Q22-C42 PolarHBondContact OE1-O 3.17Å; Q22-T43 VanDerWaalsContact CD-OG1 3.29Å; Q22-T43 PolarHBondContact NE2-OG1 3.39Å; Q22-T43 PolarHBondContact OE1-OG1 3.1Å; Q22-N92 PolarHBondContact N-OD1 3.41Å; Q22-N92 CarbonylContact O-C 3.51Å; Q22-N92 VanDerWaalsContact O-CA 3.3Å; Q22-N92 WeakPolarHBondContact O-CA 3.45Å; Q22-Y93 HydrophobicContact CB-CD1 4.3Å; Q22-Y93 HydrophobicContact CB-CE1 3.68Å; Q22-Y93 HydrophobicContact CB-CE2 4.38Å; Q22-Y93 PolarHBondContact O-N 2.95Å |
| 23 | C | 96.3 | Very high | 76.5 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.3 | 178.6 | -50 | 0 | 0 | 0 | 0 | 110.3 | A41 C42 C50 C68 | C23-A41 CarbonylContact O-C 3.59Å; C23-A41 WeakPolarHBondContact O-CA 3.39Å; C23-A41 WeakPolarHBondContact O-CB 3.34Å; C23-C42 PolarHBondContact N-O 2.97Å; C23-C42 PolarHBondContact O-N 2.79Å; C23-C50 VanDerWaalsContact CA-SG 3.52Å; C23-C50 HydrophobicContact CB-CB 3.66Å; C23-C50 WeakPolarHBondContact CB-SG 3.49Å; C23-C50 WeakPolarHBondContact SG-CA 3.5Å; C23-C50 WeakPolarHBondContact SG-CB 3.32Å; C23-C50 PolarHBondContact SG-N 3.22Å; C23-C50 CovalentContact SG-SG 2.02Å; C23-C50 PolarHBondContact SG-SG 3.27Å; C23-C68 VanDerWaalsContact SG-SG 3.67Å |
| 24 | I | 95.3 | Very high | 77.6 | Confident | 24 Ų | 24 | 82 Ų | 82 | 12% | 0.123 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 140 | 169.8 | -62.9 | -58.6 | 0 | 0 | 0 | 109.1 | F39 M66 Y93 N95 F96 | I24-F39 HydrophobicContact CG2-CE2 4.32Å; I24-M66 HydrophobicContact CG2-CE 3.88Å; I24-M66 HydrophobicContact CG2-SD 4.17Å; I24-M66 CarbonylContact O-C 3.54Å; I24-M66 WeakPolarHBondContact O-CB 3.02Å; I24-Y93 HydrophobicContact CD1-CD1 3.46Å; I24-Y93 VanDerWaalsContact CD1-CD1 3.46Å; I24-Y93 HydrophobicContact CD1-CE1 4.06Å; I24-Y93 HydrophobicContact CD1-CG 4.28Å; I24-Y93 HydrophobicContact CG1-CD1 3.89Å; I24-Y93 HydrophobicContact CG1-CG 4.47Å; I24-N95 PolarHBondContact N-OD1 3.05Å; I24-N95 PolarHBondContact O-ND2 3.15Å; I24-F96 HydrophobicContact CB-CB 4.44Å; I24-F96 HydrophobicContact CG1-CB 3.91Å; I24-F96 HydrophobicContact CG1-CD2 4.36Å; I24-F96 HydrophobicContact CG1-CG 4.34Å; I24-F96 HydrophobicContact CG2-CD2 4.2Å |
| 25 | T | 95.4 | Very high | 79.2 | Confident | 24 Ų | 24 | 76.7 Ų | 76.7 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.2 | 170.6 | 63 | 0 | 0 | 0 | 0 | 110.6 | G38 F39 G40 C42 M66 | T25-G38 CarbonylContact C-O 3.23Å; T25-G38 VanDerWaalsContact C-O 3.23Å; T25-G38 WeakPolarHBondContact CB-O 3.32Å; T25-G38 PolarHBondContact OG1-O 2.88Å; T25-F39 WeakPolarHBondContact O-CA 3.44Å; T25-G40 PolarHBondContact N-O 2.81Å; T25-G40 PolarHBondContact O-N 3.24Å; T25-G40 VanDerWaalsContact OG1-C 3.23Å; T25-G40 WeakPolarHBondContact OG1-CA 3.08Å; T25-G40 PolarHBondContact OG1-N 3.18Å; T25-G40 PolarHBondContact OG1-O 3.46Å; T25-C42 HydrophobicContact CG2-CB 3.65Å; T25-C42 VanDerWaalsContact CG2-SG 3.51Å; T25-M66 CarbonylContact C-O 3.53Å; T25-M66 VanDerWaalsContact CA-O 3.25Å; T25-M66 WeakPolarHBondContact CA-O 3.37Å |
| 26 | C | 93.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 119.1 | 165 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | C35 Y65 M66 | C26-C35 WeakPolarHBondContact CA-SG 3.43Å; C26-C35 HydrophobicContact CB-CB 4.01Å; C26-C35 WeakPolarHBondContact CB-SG 3.25Å; C26-C35 WeakPolarHBondContact SG-CA 3.41Å; C26-C35 WeakPolarHBondContact SG-CB 3.35Å; C26-C35 CovalentContact SG-SG 2.03Å; C26-C35 PolarHBondContact SG-SG 3.4Å; C26-Y65 CarbonylContact O-C 3.58Å; C26-Y65 VanDerWaalsContact O-CA 3.29Å; C26-Y65 WeakPolarHBondContact O-CA 3.22Å; C26-M66 HydrophobicContact CB-CB 4.23Å; C26-M66 HydrophobicContact CB-CE 3.32Å; C26-M66 PolarHBondContact N-O 3.34Å; C26-M66 PolarHBondContact O-N 3.31Å |
| 27 | H | 87.3 | Confident | 82 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -10.3 | -179.9 | -67.6 | -67.7 | 0 | 0 | 0 | 113.7 | R37 Y65 | H27-R37 PolarHBondContact N-O 3.26Å; H27-Y65 HydrophobicContact CB-CD1 4.49Å; H27-Y65 WeakPolarHBondContact O-CD1 2.98Å; H27-Y65 WeakPolarHBondContact O-CE1 3.43Å |
| 28 | L | 85.6 | Confident | 83.5 | Confident | 57 Ų | 57 | 79.6 Ų | 79.6 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 92.6 | 178.2 | -168.2 | 68.3 | 0 | 0 | 0 | 110.2 | R36 R37 I63 | L28-R36 HydrophobicContact CB-CB 4.4Å; L28-R36 HydrophobicContact CD2-CB 4.33Å; L28-R36 WeakPolarHBondContact O-CB 3.45Å; L28-R36 PolarHBondContact O-N 3.49Å; L28-R37 HydrophobicContact CB-CB 4.4Å; L28-I63 HydrophobicContact CD1-CB 4.27Å; L28-I63 HydrophobicContact CD1-CD1 4.4Å; L28-I63 HydrophobicContact CD1-CG2 3.82Å |
| 29 | R | 83.8 | Confident | 85 | Confident | 48 Ų | 48 | 80.9 Ų | 80.9 | 18% | 0.181 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.8 | 170.1 | 179.4 | 176.6 | -179.6 | 175.9 | 0.3 | 109 | D33 I63 S64 | R29-D33 IonicContact CZ-OD1 3.53Å; R29-D33 IonicContact NE-OD1 3.48Å; R29-D33 PolarHBondContact NE-OD1 2.82Å; R29-D33 IonicContact NH2-OD1 2.73Å; R29-D33 PolarHBondContact NH2-OD1 3.22Å; R29-I63 CarbonylContact O-C 3.47Å; R29-I63 VanDerWaalsContact O-CA 3.32Å; R29-I63 WeakPolarHBondContact O-CA 3.38Å; R29-S64 WeakPolarHBondContact CB-OG 3.41Å; R29-S64 PolarHBondContact N-O 3.25Å; R29-S64 PolarHBondContact O-N 3Å |
| 30 | T | 82.9 | Confident | 86.3 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 17% | 0.166 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 169.7 | 173.2 | 51.7 | 0 | 0 | 0 | 0 | 110.4 | T32 D33 R36 I63 | T30-T32 PolarHBondContact O-N 2.88Å; T30-T32 PolarHBondContact OG1-OG1 3.36Å; T30-D33 PolarHBondContact O-N 2.87Å; T30-D33 VanDerWaalsContact O-N 3.15Å; T30-R36 PolarHBondContact OG1-NE 2.89Å; T30-I63 HydrophobicContact CG2-CG2 4.39Å |
| 31 | R | 72 | Confident | 86.7 | Confident | 196 Ų | 196 | 75.7 Ų | 75.7 | 74% | 0.74 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -26.6 | 178.8 | -169.9 | 178.8 | 178.9 | -174.6 | 0.8 | 115.1 | D33 | R31-D33 PolarHBondContact O-N 2.86Š|
| 32 | T | 71.5 | Confident | 86.7 | Confident | 104 Ų | 104 | 75.6 Ų | 75.6 | 64% | 0.638 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 20.6 | 177.5 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | T30 R34 | T30-T32 PolarHBondContact O-N 2.88Å; T30-T32 PolarHBondContact OG1-OG1 3.36Å; T32-R34 PolarHBondContact O-N 3.16Å |
| 33 | D | 65.9 | Low | 86.7 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 53.1 | -2.5 | 177.8 | -75.5 | -47.8 | 0 | 0 | 0 | 119.2 | R29 T30 R31 | R29-D33 IonicContact CZ-OD1 3.53Å; R29-D33 IonicContact NE-OD1 3.48Å; R29-D33 PolarHBondContact NE-OD1 2.82Å; R29-D33 IonicContact NH2-OD1 2.73Å; R29-D33 PolarHBondContact NH2-OD1 3.22Å; T30-D33 PolarHBondContact O-N 2.87Å; T30-D33 VanDerWaalsContact O-N 3.15Å; R31-D33 PolarHBondContact O-N 2.86Å |
| 34 | R | 80.1 | Confident | 86.7 | Confident | 191 Ų | 191 | 77.2 Ų | 77.2 | 72% | 0.721 | 38% | 0.381 | S | S | * | . | trans | -87 | 123.7 | 176.3 | -156.1 | 171.1 | 93.3 | 174 | 5.9 | 111 | T32 R36 | T32-R34 PolarHBondContact O-N 3.16Å; R34-R36 PolarHBondContact O-N 2.87Å | ||
| 35 | C | 86.6 | Confident | 86.6 | Confident | 26 Ų | 26 | 83 Ų | 83 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 120.5 | 165.3 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | C26 R37 F39 | C26-C35 WeakPolarHBondContact CA-SG 3.43Å; C26-C35 HydrophobicContact CB-CB 4.01Å; C26-C35 WeakPolarHBondContact CB-SG 3.25Å; C26-C35 WeakPolarHBondContact SG-CA 3.41Å; C26-C35 WeakPolarHBondContact SG-CB 3.35Å; C26-C35 CovalentContact SG-SG 2.03Å; C26-C35 PolarHBondContact SG-SG 3.4Å; C35-R37 PolarHBondContact SG-O 2.92Å; C35-F39 HydrophobicContact CB-CB 4.03Å; C35-F39 HydrophobicContact CB-CD2 3.83Å; C35-F39 HydrophobicContact CB-CG 4.3Å |
| 36 | R | 84.2 | Confident | 86.4 | Confident | 162 Ų | 162 | 90.1 Ų | 90.1 | 61% | 0.611 | 44% | 0.437 | S | S | * | . | trans | -87.6 | -27.5 | -178.4 | -64 | -171 | 176.5 | -153.4 | -3.6 | 112.9 | L28 T30 R34 | L28-R36 HydrophobicContact CB-CB 4.4Å; L28-R36 HydrophobicContact CD2-CB 4.33Å; L28-R36 WeakPolarHBondContact O-CB 3.45Å; L28-R36 PolarHBondContact O-N 3.49Å; T30-R36 PolarHBondContact OG1-NE 2.89Å; R34-R36 PolarHBondContact O-N 2.87Å | ||
| 37 | R | 82.1 | Confident | 86.3 | Confident | 185 Ų | 185 | 94.5 Ų | 94.5 | 70% | 0.698 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -148.3 | 137.7 | -174.2 | -172 | 176.7 | 179.9 | 176.7 | 0.4 | 112.1 | H27 L28 C35 F39 | H27-R37 PolarHBondContact N-O 3.26Å; L28-R37 HydrophobicContact CB-CB 4.4Å; C35-R37 PolarHBondContact SG-O 2.92Å; R37-F39 VanDerWaalsContact C-N 3.33Å; R37-F39 PolarHBondContact O-N 3.15Å |
| 38 | G | 85.3 | Confident | 86.7 | Confident | 36 Ų | 36 | 92.6 Ų | 92.6 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | trans | 67 | 32.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | T25 G40 | T25-G38 CarbonylContact C-O 3.23Å; T25-G38 VanDerWaalsContact C-O 3.23Å; T25-G38 WeakPolarHBondContact CB-O 3.32Å; T25-G38 PolarHBondContact OG1-O 2.88Å; G38-G40 PolarHBondContact O-N 2.77Å | ||
| 39 | F | 92.8 | Very high | 87.2 | Confident | 142 Ų | 142 | 90.3 Ų | 90.3 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | trans | -65.9 | 130.2 | 171.7 | -175.8 | -105.5 | 0 | 0 | 0 | 109.4 | I24 T25 C35 R37 | I24-F39 HydrophobicContact CG2-CE2 4.32Å; T25-F39 WeakPolarHBondContact O-CA 3.44Å; C35-F39 HydrophobicContact CB-CB 4.03Å; C35-F39 HydrophobicContact CB-CD2 3.83Å; C35-F39 HydrophobicContact CB-CG 4.3Å; R37-F39 VanDerWaalsContact C-N 3.33Å; R37-F39 PolarHBondContact O-N 3.15Å | ||
| 40 | G | 93.8 | Very high | 87.8 | Confident | 28 Ų | 28 | 88 Ų | 88 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | -155.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T25 G38 | T25-G40 PolarHBondContact N-O 2.81Å; T25-G40 PolarHBondContact O-N 3.24Å; T25-G40 VanDerWaalsContact OG1-C 3.23Å; T25-G40 WeakPolarHBondContact OG1-CA 3.08Å; T25-G40 PolarHBondContact OG1-N 3.18Å; T25-G40 PolarHBondContact OG1-O 3.46Å; G38-G40 PolarHBondContact O-N 2.77Å |
| 41 | A | 95.2 | Very high | 88.5 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 49% | 0.488 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | C23 Y93 | C23-A41 CarbonylContact O-C 3.59Å; C23-A41 WeakPolarHBondContact O-CA 3.39Å; C23-A41 WeakPolarHBondContact O-CB 3.34Å; A41-Y93 HydrophobicContact CB-CE1 4.15Å |
| 42 | C | 95.4 | Very high | 89.7 | Confident | 27 Ų | 27 | 78 Ų | 78 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148 | 170.6 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | Q22 C23 T25 C68 | Q22-C42 CarbonylContact C-O 3.49Å; Q22-C42 WeakPolarHBondContact CA-O 3.15Å; Q22-C42 PolarHBondContact OE1-O 3.17Å; C23-C42 PolarHBondContact N-O 2.97Å; C23-C42 PolarHBondContact O-N 2.79Å; T25-C42 HydrophobicContact CG2-CB 3.65Å; T25-C42 VanDerWaalsContact CG2-SG 3.51Å; C42-C68 HydrophobicContact CB-CB 4.12Å; C42-C68 WeakPolarHBondContact CB-SG 3.27Å; C42-C68 WeakPolarHBondContact SG-CB 3.35Å; C42-C68 PolarHBondContact SG-N 3Å; C42-C68 CovalentContact SG-SG 2.04Å; C42-C68 PolarHBondContact SG-SG 3.47Å |
| 43 | T | 96.3 | Very high | 90.8 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 116.6 | 170.3 | -54.5 | 0 | 0 | 0 | 0 | 108.1 | L21 Q22 Q45 | L21-T43 CarbonylContact O-C 3.57Å; L21-T43 WeakPolarHBondContact O-CA 3.45Å; Q22-T43 VanDerWaalsContact CD-OG1 3.29Å; Q22-T43 PolarHBondContact NE2-OG1 3.39Å; Q22-T43 PolarHBondContact OE1-OG1 3.1Å; T43-Q45 PolarHBondContact O-N 3.14Å |
| 44 | A | 94.8 | Very high | 92.2 | Very high | 14 Ų | 14 | 70.6 Ų | 70.6 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | trans | -64.1 | 129.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L21 E48 | L21-A44 HydrophobicContact CB-CB 3.99Å; L21-A44 HydrophobicContact CD2-CB 4Å; L21-A44 HydrophobicContact CG-CB 4.13Å; L21-A44 PolarHBondContact O-N 3.47Å; A44-E48 HydrophobicContact CB-CB 3.92Å | ||
| 45 | Q | 93.8 | Very high | 92.9 | Very high | 147 Ų | 147 | 62 Ų | 62 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | trans | -83.9 | -173.1 | 174.2 | -57.3 | -167.5 | 13.8 | 0 | 0 | 111.4 | T43 D47 E48 | T43-Q45 PolarHBondContact O-N 3.14Å; Q45-D47 PolarHBondContact O-N 2.02Å; Q45-E48 HydrophobicContact CB-CG 4.21Å; Q45-E48 PolarHBondContact N-OE2 3.33Å; Q45-E48 WeakPolarHBondContact O-CB 3.15Å; Q45-E48 PolarHBondContact O-N 2.96Å | ||
| 46 | K | 90.5 | Very high | 93.3 | Very high | 173 Ų | 173 | 63.7 Ų | 63.7 | 75% | 0.752 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 131.6 | 175.4 | -169.6 | -178.2 | 175.5 | -179.8 | 0 | 110.5 | E48 | K46-E48 PolarHBondContact O-N 2.84Š|
| 47 | D | 92.1 | Very high | 93.8 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 14.7 | -178.3 | -45.3 | -46.8 | 0 | 0 | 0 | 114.3 | Q45 K70 F71 | Q45-D47 PolarHBondContact O-N 2.02Å; D47-K70 HydrophobicContact CB-CG 4.45Å; D47-K70 WeakPolarHBondContact O-CA 3.48Å; D47-F71 HydrophobicContact CB-CD1 4.16Å; D47-F71 HydrophobicContact CB-CE1 3.92Å; D47-F71 PolarHBondContact O-N 2.02Å |
| 48 | E | 96.1 | Very high | 94.3 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 24% | 0.243 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 149.1 | 171.4 | -61.3 | -171.9 | 153.9 | 0 | 0 | 111.9 | A44 Q45 K46 Q69 K70 | A44-E48 HydrophobicContact CB-CB 3.92Å; Q45-E48 HydrophobicContact CB-CG 4.21Å; Q45-E48 PolarHBondContact N-OE2 3.33Å; Q45-E48 WeakPolarHBondContact O-CB 3.15Å; Q45-E48 PolarHBondContact O-N 2.96Å; K46-E48 PolarHBondContact O-N 2.84Å; E48-Q69 VanDerWaalsContact CA-O 3.28Å; E48-Q69 WeakPolarHBondContact CA-O 3.07Å; E48-K70 HydrophobicContact CG-CB 4.18Å; E48-K70 HydrophobicContact CG-CG 4.37Å |
| 49 | A | 96.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 167.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | M51 Q69 C72 N90 | A49-M51 PolarHBondContact O-N 3.12Å; A49-Q69 PolarHBondContact N-O 2.84Å; A49-Q69 PolarHBondContact O-N 2.01Å; A49-C72 HydrophobicContact CB-CB 3.77Å; A49-N90 WeakPolarHBondContact CB-OD1 3.49Å |
| 50 | C | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 131.5 | 173.8 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | C23 C88 C89 C94 N95 | C23-C50 VanDerWaalsContact CA-SG 3.52Å; C23-C50 HydrophobicContact CB-CB 3.66Å; C23-C50 WeakPolarHBondContact CB-SG 3.49Å; C23-C50 WeakPolarHBondContact SG-CA 3.5Å; C23-C50 WeakPolarHBondContact SG-CB 3.32Å; C23-C50 PolarHBondContact SG-N 3.22Å; C23-C50 CovalentContact SG-SG 2.02Å; C23-C50 PolarHBondContact SG-SG 3.27Å; C50-C88 WeakPolarHBondContact O-CA 3.41Å; C50-C89 WeakPolarHBondContact CB-O 3.43Å; C50-C89 PolarHBondContact N-O 2.93Å; C50-C89 VanDerWaalsContact N-O 3.14Å; C50-C89 PolarHBondContact O-N 3.36Å; C50-C94 WeakPolarHBondContact CB-SG 3.45Å; C50-C94 VanDerWaalsContact SG-SG 3.68Å; C50-N95 HydrophobicContact CB-CB 4.02Å |
| 51 | M | 97.2 | Very high | 94.2 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.3 | 178.7 | -174.9 | -96.3 | -89.2 | 0 | 0 | 111.1 | A49 L53 M66 V67 Q69 C72 T87 N95 | A49-M51 PolarHBondContact O-N 3.12Å; M51-L53 HydrophobicContact CE-CB 4.29Å; M51-L53 HydrophobicContact SD-CB 3.57Å; M51-L53 VanDerWaalsContact SD-CB 3.57Å; M51-L53 PolarHBondContact SD-N 3.18Å; M51-M66 WeakPolarHBondContact O-CA 3.46Å; M51-V67 HydrophobicContact CB-CG2 4.25Å; M51-V67 HydrophobicContact CE-CG2 3.55Å; M51-V67 PolarHBondContact N-O 2.86Å; M51-V67 PolarHBondContact O-N 3.09Å; M51-V67 VanDerWaalsContact O-N 3.16Å; M51-V67 HydrophobicContact SD-CG2 4.16Å; M51-Q69 HydrophobicContact CB-CB 3.46Å; M51-Q69 VanDerWaalsContact CB-CB 3.46Å; M51-Q69 HydrophobicContact CB-CG 4.23Å; M51-Q69 HydrophobicContact CE-CB 4.29Å; M51-Q69 HydrophobicContact CE-CG 4.2Å; M51-Q69 HydrophobicContact CG-CB 4.07Å; M51-Q69 HydrophobicContact CG-CG 4.31Å; M51-C72 VanDerWaalsContact CB-SG 3.58Å; M51-T87 CarbonylContact C-O 3.54Å; M51-T87 WeakPolarHBondContact CA-O 2.73Å; M51-N95 PolarHBondContact O-ND2 3.4Å; M51-N95 VanDerWaalsContact O-ND2 3.09Å |
| 52 | L | 96.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.7 | 164.9 | 176.8 | 61.9 | 0 | 0 | 0 | 108.8 | K54 Y65 M66 T87 N95 L98 | L52-K54 HydrophobicContact CG-CG 4.29Å; L52-Y65 CarbonylContact C-O 3.52Å; L52-Y65 WeakPolarHBondContact CA-O 3.4Å; L52-M66 HydrophobicContact CD1-CG 3.64Å; L52-M66 HydrophobicContact CD1-SD 4.49Å; L52-T87 PolarHBondContact N-O 3.05Å; L52-T87 PolarHBondContact O-N 2.98Å; L52-N95 HydrophobicContact CB-CB 4.33Å; L52-L98 HydrophobicContact CD2-CB 3.4Å; L52-L98 VanDerWaalsContact CD2-CB 3.4Å; L52-L98 WeakPolarHBondContact CD2-O 3.32Å |
| 53 | L | 95.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125 | 171.3 | 161.1 | 64 | 0 | 0 | 0 | 108.5 | M51 I55 S64 Y65 Y84 V85 H86 | M51-L53 HydrophobicContact CE-CB 4.29Å; M51-L53 HydrophobicContact SD-CB 3.57Å; M51-L53 VanDerWaalsContact SD-CB 3.57Å; M51-L53 PolarHBondContact SD-N 3.18Å; L53-I55 HydrophobicContact CD1-CG1 3.92Å; L53-I55 HydrophobicContact CD2-CD1 4.13Å; L53-I55 HydrophobicContact CD2-CG1 4.24Å; L53-I55 HydrophobicContact CG-CD1 4.41Å; L53-I55 HydrophobicContact CG-CG1 3.99Å; L53-S64 CarbonylContact O-C 3.58Å; L53-S64 WeakPolarHBondContact O-CA 3.44Å; L53-S64 VanDerWaalsContact O-CB 3.27Å; L53-S64 WeakPolarHBondContact O-CB 3.48Å; L53-Y65 HydrophobicContact CD2-CD2 4Å; L53-Y65 HydrophobicContact CD2-CG 4.47Å; L53-Y65 HydrophobicContact CG-CD2 4.34Å; L53-Y65 PolarHBondContact N-O 2.03Å; L53-Y65 PolarHBondContact O-N 2.83Å; L53-Y84 HydrophobicContact CD1-CD1 3.98Å; L53-V85 CarbonylContact C-O 3.59Å; L53-V85 WeakPolarHBondContact CA-O 3.23Å; L53-H86 VanDerWaalsContact CD1-CD2 3.43Å; L53-H86 WeakPolarHBondContact CD1-CD2 3.06Å |
| 54 | K | 94.7 | Very high | 93.8 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.5 | 170.6 | -69.6 | 178 | 179.5 | 168.8 | 0 | 109.2 | L52 Y56 L61 V85 L98 | L52-K54 HydrophobicContact CG-CG 4.29Å; K54-Y56 HydrophobicContact CB-CD2 4.22Å; K54-Y56 HydrophobicContact CB-CE2 3.45Å; K54-Y56 VanDerWaalsContact CB-CE2 3.45Å; K54-Y56 HydrophobicContact CD-CE2 4.37Å; K54-Y56 WeakPolarHBondContact CD-OH 3.39Å; K54-Y56 HydrophobicContact CG-CE2 4.49Å; K54-L61 HydrophobicContact CB-CD1 3.73Å; K54-L61 HydrophobicContact CG-CD1 4.02Å; K54-V85 HydrophobicContact CB-CB 4.42Å; K54-V85 PolarHBondContact N-O 3.25Å; K54-V85 PolarHBondContact O-N 3.07Å; K54-L98 WeakPolarHBondContact CE-O 2.96Å; K54-L98 PolarHBondContact NZ-O 2.87Å; K54-L98 PolarHBondContact NZ-OXT 3.27Å |
| 55 | I | 95.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.5 | 177.7 | -55 | 177.1 | 0 | 0 | 0 | 108.3 | L53 Q62 I63 Y65 R82 T83 Y84 | L53-I55 HydrophobicContact CD1-CG1 3.92Å; L53-I55 HydrophobicContact CD2-CD1 4.13Å; L53-I55 HydrophobicContact CD2-CG1 4.24Å; L53-I55 HydrophobicContact CG-CD1 4.41Å; L53-I55 HydrophobicContact CG-CG1 3.99Å; I55-Q62 WeakPolarHBondContact O-CB 3.01Å; I55-Q62 PolarHBondContact O-N 3.16Å; I55-I63 HydrophobicContact CB-CG1 3.95Å; I55-I63 HydrophobicContact CD1-CD1 3.95Å; I55-I63 HydrophobicContact CD1-CG1 3.88Å; I55-I63 HydrophobicContact CG1-CG1 4.25Å; I55-I63 PolarHBondContact N-O 2.82Å; I55-I63 PolarHBondContact O-N 2.86Å; I55-Y65 HydrophobicContact CD1-CD2 4.42Å; I55-Y65 HydrophobicContact CD1-CE2 3.99Å; I55-R82 HydrophobicContact CG2-CB 4.25Å; I55-R82 HydrophobicContact CG2-CG 4.41Å; I55-T83 WeakPolarHBondContact CA-O 3.28Å; I55-Y84 HydrophobicContact CD1-CD1 3.92Å; I55-Y84 HydrophobicContact CD1-CE1 3.52Å; I55-Y84 HydrophobicContact CG1-CD1 3.73Å; I55-Y84 HydrophobicContact CG1-CE1 3.79Å; I55-Y84 HydrophobicContact CG2-CD1 4.46Å; I55-Y84 HydrophobicContact CG2-CE1 4.13Å; I55-Y84 HydrophobicContact CG2-CE2 4.46Å |
| 56 | Y | 94.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 151.3 | 179.4 | -63.8 | -93.9 | 0 | 0 | 0 | 110.8 | K54 T60 L61 R82 T83 V85 | K54-Y56 HydrophobicContact CB-CD2 4.22Å; K54-Y56 HydrophobicContact CB-CE2 3.45Å; K54-Y56 VanDerWaalsContact CB-CE2 3.45Å; K54-Y56 HydrophobicContact CD-CE2 4.37Å; K54-Y56 WeakPolarHBondContact CD-OH 3.39Å; K54-Y56 HydrophobicContact CG-CE2 4.49Å; Y56-T60 WeakPolarHBondContact CA-O 3.43Å; Y56-L61 HydrophobicContact CD1-CB 4.07Å; Y56-L61 HydrophobicContact CD1-CD1 4.43Å; Y56-L61 HydrophobicContact CE1-CB 3.79Å; Y56-L61 HydrophobicContact CE1-CD1 4.09Å; Y56-L61 HydrophobicContact CE2-CD1 4.27Å; Y56-R82 CarbonylContact O-C 3.55Å; Y56-R82 WeakPolarHBondContact O-CA 3.36Å; Y56-R82 WeakPolarHBondContact O-CB 3.08Å; Y56-T83 PolarHBondContact N-O 3.34Å; Y56-T83 PolarHBondContact O-N 2.87Å; Y56-V85 HydrophobicContact CD2-CG2 4.11Å; Y56-V85 HydrophobicContact CE2-CB 4.44Å; Y56-V85 HydrophobicContact CE2-CG2 3.94Å |
| 57 | Q | 95.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 109.9 | 164.3 | -175.3 | 175.1 | 0.7 | 0 | 0 | 106.7 | N59 T60 Q62 N81 | Q57-N59 PolarHBondContact O-N 3.15Å; Q57-T60 PolarHBondContact N-O 2.78Å; Q57-T60 PolarHBondContact O-N 3.18Å; Q57-Q62 HydrophobicContact CB-CG 3.74Å; Q57-N81 PolarHBondContact NE2-ND2 2.84Å |
| 58 | G | 90.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 55% | 0.546 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -130.8 | -160.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T60 | G58-T60 VanDerWaalsContact C-N 3.35Š|
| 59 | N | 88.5 | Confident | 94.4 | Very high | 167 Ų | 167 | 42.1 Ų | 42.1 | 89% | 0.893 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 5.7 | 178.3 | -72.5 | 39.6 | 0 | 0 | 0 | 113.9 | Q57 | Q57-N59 PolarHBondContact O-N 3.15Š|
| 60 | T | 91.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 41% | 0.411 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.4 | -175.8 | -57.2 | 0 | 0 | 0 | 0 | 111 | Y56 Q57 G58 Q62 | Y56-T60 WeakPolarHBondContact CA-O 3.43Å; Q57-T60 PolarHBondContact N-O 2.78Å; Q57-T60 PolarHBondContact O-N 3.18Å; G58-T60 VanDerWaalsContact C-N 3.35Å; T60-Q62 PolarHBondContact O-N 2.96Å |
| 61 | L | 91.2 | Very high | 94.2 | Very high | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 118.6 | 169.8 | -179.8 | 67.9 | 0 | 0 | 0 | 109.3 | K54 Y56 | K54-L61 HydrophobicContact CB-CD1 3.73Å; K54-L61 HydrophobicContact CG-CD1 4.02Å; Y56-L61 HydrophobicContact CD1-CB 4.07Å; Y56-L61 HydrophobicContact CD1-CD1 4.43Å; Y56-L61 HydrophobicContact CE1-CB 3.79Å; Y56-L61 HydrophobicContact CE1-CD1 4.09Å; Y56-L61 HydrophobicContact CE2-CD1 4.27Å |
| 62 | Q | 91.8 | Very high | 94.2 | Very high | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -58.9 | 177.1 | -63.2 | -60.1 | -38.6 | 0 | 0 | 109.9 | I55 Q57 T60 | I55-Q62 WeakPolarHBondContact O-CB 3.01Å; I55-Q62 PolarHBondContact O-N 3.16Å; Q57-Q62 HydrophobicContact CB-CG 3.74Å; T60-Q62 PolarHBondContact O-N 2.96Å |
| 63 | I | 92.1 | Very high | 94.2 | Very high | 41 Ų | 41 | 64.1 Ų | 64.1 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155 | -175.8 | 58.2 | -176.9 | 0 | 0 | 0 | 110.8 | L28 R29 T30 I55 Y65 | L28-I63 HydrophobicContact CD1-CB 4.27Å; L28-I63 HydrophobicContact CD1-CD1 4.4Å; L28-I63 HydrophobicContact CD1-CG2 3.82Å; R29-I63 CarbonylContact O-C 3.47Å; R29-I63 VanDerWaalsContact O-CA 3.32Å; R29-I63 WeakPolarHBondContact O-CA 3.38Å; T30-I63 HydrophobicContact CG2-CG2 4.39Å; I55-I63 HydrophobicContact CB-CG1 3.95Å; I55-I63 HydrophobicContact CD1-CD1 3.95Å; I55-I63 HydrophobicContact CD1-CG1 3.88Å; I55-I63 HydrophobicContact CG1-CG1 4.25Å; I55-I63 PolarHBondContact N-O 2.82Å; I55-I63 PolarHBondContact O-N 2.86Å; I63-Y65 HydrophobicContact CD1-CE2 3.61Å; I63-Y65 HydrophobicContact CG1-CE2 3.95Å |
| 64 | S | 93.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151.6 | 168.9 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | R29 L53 | R29-S64 WeakPolarHBondContact CB-OG 3.41Å; R29-S64 PolarHBondContact N-O 3.25Å; R29-S64 PolarHBondContact O-N 3Å; L53-S64 CarbonylContact O-C 3.58Å; L53-S64 WeakPolarHBondContact O-CA 3.44Å; L53-S64 VanDerWaalsContact O-CB 3.27Å; L53-S64 WeakPolarHBondContact O-CB 3.48Å |
| 65 | Y | 94.7 | Very high | 94.4 | Very high | 69 Ų | 69 | 70.1 Ų | 70.1 | 27% | 0.271 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.1 | 178.6 | -65.2 | -106.5 | 0 | 0 | 0 | 109.6 | C26 H27 L52 L53 I55 I63 | C26-Y65 CarbonylContact O-C 3.58Å; C26-Y65 VanDerWaalsContact O-CA 3.29Å; C26-Y65 WeakPolarHBondContact O-CA 3.22Å; H27-Y65 HydrophobicContact CB-CD1 4.49Å; H27-Y65 WeakPolarHBondContact O-CD1 2.98Å; H27-Y65 WeakPolarHBondContact O-CE1 3.43Å; L52-Y65 CarbonylContact C-O 3.52Å; L52-Y65 WeakPolarHBondContact CA-O 3.4Å; L53-Y65 HydrophobicContact CD2-CD2 4Å; L53-Y65 HydrophobicContact CD2-CG 4.47Å; L53-Y65 HydrophobicContact CG-CD2 4.34Å; L53-Y65 PolarHBondContact N-O 2.03Å; L53-Y65 PolarHBondContact O-N 2.83Å; I55-Y65 HydrophobicContact CD1-CD2 4.42Å; I55-Y65 HydrophobicContact CD1-CE2 3.99Å; I63-Y65 HydrophobicContact CD1-CE2 3.61Å; I63-Y65 HydrophobicContact CG1-CE2 3.95Å |
| 66 | M | 95.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.015 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123 | 174.2 | -68.3 | 179.9 | -67 | 0 | 0 | 108.1 | I24 T25 C26 M51 L52 F96 | I24-M66 HydrophobicContact CG2-CE 3.88Å; I24-M66 HydrophobicContact CG2-SD 4.17Å; I24-M66 CarbonylContact O-C 3.54Å; I24-M66 WeakPolarHBondContact O-CB 3.02Å; T25-M66 CarbonylContact C-O 3.53Å; T25-M66 VanDerWaalsContact CA-O 3.25Å; T25-M66 WeakPolarHBondContact CA-O 3.37Å; C26-M66 HydrophobicContact CB-CB 4.23Å; C26-M66 HydrophobicContact CB-CE 3.32Å; C26-M66 PolarHBondContact N-O 3.34Å; C26-M66 PolarHBondContact O-N 3.31Å; M51-M66 WeakPolarHBondContact O-CA 3.46Å; L52-M66 HydrophobicContact CD1-CG 3.64Å; L52-M66 HydrophobicContact CD1-SD 4.49Å; M66-F96 HydrophobicContact CE-CD2 4.39Å; M66-F96 HydrophobicContact SD-CD2 4.3Å |
| 67 | V | 95.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 74.8 Ų | 74.8 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 164.2 | -176.3 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | M51 Q69 | M51-V67 HydrophobicContact CB-CG2 4.25Å; M51-V67 HydrophobicContact CE-CG2 3.55Å; M51-V67 PolarHBondContact N-O 2.86Å; M51-V67 PolarHBondContact O-N 3.09Å; M51-V67 VanDerWaalsContact O-N 3.16Å; M51-V67 HydrophobicContact SD-CG2 4.16Å; V67-Q69 HydrophobicContact CG2-CB 4.38Å |
| 68 | C | 96.7 | Very high | 94.6 | Very high | 23 Ų | 23 | 76.4 Ų | 76.4 | 16% | 0.155 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.9 | 158.3 | -67.1 | 0 | 0 | 0 | 0 | 107.6 | C23 C42 | C23-C68 VanDerWaalsContact SG-SG 3.67Å; C42-C68 HydrophobicContact CB-CB 4.12Å; C42-C68 WeakPolarHBondContact CB-SG 3.27Å; C42-C68 WeakPolarHBondContact SG-CB 3.35Å; C42-C68 PolarHBondContact SG-N 3Å; C42-C68 CovalentContact SG-SG 2.04Å; C42-C68 PolarHBondContact SG-SG 3.47Å |
| 69 | Q | 96.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 79.2 Ų | 79.2 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.8 | -173.2 | 177 | 61.4 | 41.8 | 0 | 0 | 110.1 | E48 A49 M51 V67 C72 | E48-Q69 VanDerWaalsContact CA-O 3.28Å; E48-Q69 WeakPolarHBondContact CA-O 3.07Å; A49-Q69 PolarHBondContact N-O 2.84Å; A49-Q69 PolarHBondContact O-N 2.01Å; M51-Q69 HydrophobicContact CB-CB 3.46Å; M51-Q69 VanDerWaalsContact CB-CB 3.46Å; M51-Q69 HydrophobicContact CB-CG 4.23Å; M51-Q69 HydrophobicContact CE-CB 4.29Å; M51-Q69 HydrophobicContact CE-CG 4.2Å; M51-Q69 HydrophobicContact CG-CB 4.07Å; M51-Q69 HydrophobicContact CG-CG 4.31Å; V67-Q69 HydrophobicContact CG2-CB 4.38Å; Q69-C72 HydrophobicContact CB-CB 4.19Å; Q69-C72 HydrophobicContact CG-CB 4.13Å |
| 70 | K | 96.3 | Very high | 95.1 | Very high | 104 Ų | 104 | 75.2 Ų | 75.2 | 45% | 0.452 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 138.4 | 171 | -156.8 | 177 | -174.3 | 174.4 | 0 | 111 | D47 E48 C72 | D47-K70 HydrophobicContact CB-CG 4.45Å; D47-K70 WeakPolarHBondContact O-CA 3.48Å; E48-K70 HydrophobicContact CG-CB 4.18Å; E48-K70 HydrophobicContact CG-CG 4.37Å; K70-C72 VanDerWaalsContact C-N 3.26Å; K70-C72 PolarHBondContact O-N 3.47Å |
| 71 | F | 94.6 | Very high | 95.2 | Very high | 152 Ų | 152 | 77 Ų | 77 | 67% | 0.667 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 43.9 | -179.2 | -48 | -62.4 | 0 | 0 | 0 | 112.5 | D47 R73 | D47-F71 HydrophobicContact CB-CD1 4.16Å; D47-F71 HydrophobicContact CB-CE1 3.92Å; D47-F71 PolarHBondContact O-N 2.02Å; F71-R73 PolarHBondContact O-N 3.22Å |
| 72 | C | 96.1 | Very high | 95.5 | Very high | 33 Ų | 33 | 80.1 Ų | 80.1 | 22% | 0.223 | 41% | 0.406 | C | S | . | . | trans | -61.6 | 130.4 | -178 | -154.5 | 0 | 0 | 0 | 0 | 111 | A49 M51 Q69 K70 C88 | A49-C72 HydrophobicContact CB-CB 3.77Å; M51-C72 VanDerWaalsContact CB-SG 3.58Å; Q69-C72 HydrophobicContact CB-CB 4.19Å; Q69-C72 HydrophobicContact CG-CB 4.13Å; K70-C72 VanDerWaalsContact C-N 3.26Å; K70-C72 PolarHBondContact O-N 3.47Å; C72-C88 VanDerWaalsContact CA-SG 3.54Å; C72-C88 HydrophobicContact CB-CB 3.82Å; C72-C88 WeakPolarHBondContact CB-SG 3.13Å; C72-C88 WeakPolarHBondContact SG-CB 3.45Å; C72-C88 CovalentContact SG-SG 2.02Å; C72-C88 PolarHBondContact SG-SG 3.35Å | ||
| 73 | R | 96.1 | Very high | 95.8 | Very high | 195 Ų | 195 | 78.2 Ų | 78.2 | 74% | 0.736 | 40% | 0.4 | S | S | * | . | trans | -139.1 | 143.3 | 172.6 | -171.6 | 177.3 | 178.6 | -179.9 | 0.5 | 110.1 | F71 M75 C88 | F71-R73 PolarHBondContact O-N 3.22Å; R73-M75 WeakPolarHBondContact O-CG 3.3Å; R73-M75 PolarHBondContact O-N 2.81Å; R73-C88 PolarHBondContact N-SG 2.89Å; R73-C88 PolarHBondContact O-SG 2.86Å | ||
| 74 | D | 97.3 | Very high | 96 | Very high | 99 Ų | 99 | 78.1 Ų | 78.1 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | trans | -66.1 | 123.8 | 169.9 | -63.6 | -31.8 | 0 | 0 | 0 | 109.6 | H86 T87 C88 | D74-H86 WeakPolarHBondContact CA-O 3.38Å; D74-T87 WeakPolarHBondContact OD1-CA 3.29Å; D74-C88 PolarHBondContact OD1-N 2.91Å | ||
| 75 | M | 97.1 | Very high | 96.2 | Very high | 87 Ų | 87 | 79.5 Ų | 79.5 | 43% | 0.429 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 140.2 | -177.5 | 50.9 | -170.9 | -75.7 | 0 | 0 | 110.8 | R73 F77 H86 | R73-M75 WeakPolarHBondContact O-CG 3.3Å; R73-M75 PolarHBondContact O-N 2.81Å; M75-F77 HydrophobicContact CE-CD1 3.7Å; M75-F77 HydrophobicContact CE-CE1 3.79Å; M75-H86 HydrophobicContact CG-CB 3.53Å; M75-H86 PolarHBondContact N-O 2.89Å; M75-H86 WeakPolarHBondContact O-CB 2.98Å; M75-H86 PolarHBondContact O-N 2.86Å |
| 76 | T | 97.4 | Very high | 96.2 | Very high | 97 Ų | 97 | 78 Ų | 78 | 60% | 0.595 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.1 | 171.7 | -60.1 | 0 | 0 | 0 | 0 | 108.2 | T83 Y84 V85 | T76-T83 HydrophobicContact CG2-CG2 3.86Å; T76-Y84 CarbonylContact C-O 3.59Å; T76-Y84 VanDerWaalsContact CA-O 3.25Å; T76-Y84 WeakPolarHBondContact CA-O 3Å; T76-V85 HydrophobicContact CG2-CG2 4.06Å |
| 77 | F | 96.4 | Very high | 96.3 | Very high | 73 Ų | 73 | 79.7 Ų | 79.7 | 32% | 0.32 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 151.7 | 176.8 | 64.9 | -87.3 | 0 | 0 | 0 | 111.2 | M75 Y84 H86 | M75-F77 HydrophobicContact CE-CD1 3.7Å; M75-F77 HydrophobicContact CE-CE1 3.79Å; F77-Y84 HydrophobicContact CD2-CD2 4.19Å; F77-Y84 HydrophobicContact CD2-CG 4.28Å; F77-Y84 HydrophobicContact CE1-CG 4.3Å; F77-Y84 HydrophobicContact CE2-CD1 4.18Å; F77-Y84 AromaticContact CE2-CD2 3.73Å; F77-Y84 HydrophobicContact CE2-CD2 3.73Å; F77-Y84 HydrophobicContact CE2-CE2 4.46Å; F77-Y84 AromaticContact CE2-CG 3.59Å; F77-Y84 HydrophobicContact CE2-CG 3.59Å; F77-Y84 AromaticContact CZ-CD1 3.93Å; F77-Y84 HydrophobicContact CZ-CD1 3.93Å; F77-Y84 HydrophobicContact CZ-CD2 4.24Å; F77-Y84 AromaticContact CZ-CG 3.6Å; F77-Y84 HydrophobicContact CZ-CG 3.6Å; F77-Y84 PolarHBondContact N-O 2.86Å; F77-Y84 PolarHBondContact O-N 3.4Å; F77-H86 AromaticContact CE1-CD2 3.88Å; F77-H86 AromaticContact CE1-NE2 3.55Å |
| 78 | D | 96.7 | Very high | 96.4 | Very high | 113 Ų | 113 | 79.8 Ų | 79.8 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.6 | 177.7 | -63 | -52.9 | 0 | 0 | 0 | 110.1 | R82 T83 | D78-R82 WeakPolarHBondContact CA-O 2.97Å; D78-T83 WeakPolarHBondContact OD1-CA 3.44Å; D78-T83 WeakPolarHBondContact OD1-CB 3.41Å; D78-T83 VanDerWaalsContact OD1-CG2 3.27Å; D78-T83 WeakPolarHBondContact OD1-CG2 3.13Å; D78-T83 PolarHBondContact OD1-OG1 3.47Å |
| 79 | L | 95.3 | Very high | 96.3 | Very high | 112 Ų | 112 | 79.5 Ų | 79.5 | 59% | 0.586 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 109.9 | 174.6 | -174 | 70 | 0 | 0 | 0 | 109.1 | N81 R82 Y84 | L79-N81 PolarHBondContact O-N 3.3Å; L79-R82 PolarHBondContact N-O 3.24Å; L79-R82 PolarHBondContact O-N 3.48Å; L79-Y84 HydrophobicContact CB-CD2 4.28Å; L79-Y84 HydrophobicContact CB-CE2 3.85Å |
| 80 | G | 93.9 | Very high | 96.2 | Very high | 83 Ų | 83 | 82.2 Ų | 82.2 | 86% | 0.856 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | -121.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 81 | N | 95 | Very high | 96.1 | Very high | 105 Ų | 105 | 82.7 Ų | 82.7 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 19.8 | 178 | 67.5 | -11.4 | 0 | 0 | 0 | 113.3 | Q57 L79 | Q57-N81 PolarHBondContact NE2-ND2 2.84Å; L79-N81 PolarHBondContact O-N 3.3Å |
| 82 | R | 96.6 | Very high | 96.1 | Very high | 114 Ų | 114 | 79.4 Ų | 79.4 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142.2 | -175.7 | -67.5 | 175 | -178.4 | 166.2 | 0.4 | 111.8 | I55 Y56 D78 L79 Y84 | I55-R82 HydrophobicContact CG2-CB 4.25Å; I55-R82 HydrophobicContact CG2-CG 4.41Å; Y56-R82 CarbonylContact O-C 3.55Å; Y56-R82 WeakPolarHBondContact O-CA 3.36Å; Y56-R82 WeakPolarHBondContact O-CB 3.08Å; D78-R82 WeakPolarHBondContact CA-O 2.97Å; L79-R82 PolarHBondContact N-O 3.24Å; L79-R82 PolarHBondContact O-N 3.48Å; R82-Y84 HydrophobicContact CB-CD2 4.35Å; R82-Y84 HydrophobicContact CB-CE2 3.64Å |
| 83 | T | 97.5 | Very high | 96 | Very high | 39 Ų | 39 | 83.1 Ų | 83.1 | 24% | 0.239 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.4 | 173.8 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | I55 Y56 T76 D78 V85 | I55-T83 WeakPolarHBondContact CA-O 3.28Å; Y56-T83 PolarHBondContact N-O 3.34Å; Y56-T83 PolarHBondContact O-N 2.87Å; T76-T83 HydrophobicContact CG2-CG2 3.86Å; D78-T83 WeakPolarHBondContact OD1-CA 3.44Å; D78-T83 WeakPolarHBondContact OD1-CB 3.41Å; D78-T83 VanDerWaalsContact OD1-CG2 3.27Å; D78-T83 WeakPolarHBondContact OD1-CG2 3.13Å; D78-T83 PolarHBondContact OD1-OG1 3.47Å; T83-V85 HydrophobicContact CG2-CG2 4.25Å |
| 84 | Y | 96.9 | Very high | 95.9 | Very high | 38 Ų | 38 | 74 Ų | 74 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.5 | -179.4 | -67 | -107.6 | 0 | 0 | 0 | 108.3 | L53 I55 T76 F77 L79 R82 | L53-Y84 HydrophobicContact CD1-CD1 3.98Å; I55-Y84 HydrophobicContact CD1-CD1 3.92Å; I55-Y84 HydrophobicContact CD1-CE1 3.52Å; I55-Y84 HydrophobicContact CG1-CD1 3.73Å; I55-Y84 HydrophobicContact CG1-CE1 3.79Å; I55-Y84 HydrophobicContact CG2-CD1 4.46Å; I55-Y84 HydrophobicContact CG2-CE1 4.13Å; I55-Y84 HydrophobicContact CG2-CE2 4.46Å; T76-Y84 CarbonylContact C-O 3.59Å; T76-Y84 VanDerWaalsContact CA-O 3.25Å; T76-Y84 WeakPolarHBondContact CA-O 3Å; F77-Y84 HydrophobicContact CD2-CD2 4.19Å; F77-Y84 HydrophobicContact CD2-CG 4.28Å; F77-Y84 HydrophobicContact CE1-CG 4.3Å; F77-Y84 HydrophobicContact CE2-CD1 4.18Å; F77-Y84 AromaticContact CE2-CD2 3.73Å; F77-Y84 HydrophobicContact CE2-CD2 3.73Å; F77-Y84 HydrophobicContact CE2-CE2 4.46Å; F77-Y84 AromaticContact CE2-CG 3.59Å; F77-Y84 HydrophobicContact CE2-CG 3.59Å; F77-Y84 AromaticContact CZ-CD1 3.93Å; F77-Y84 HydrophobicContact CZ-CD1 3.93Å; F77-Y84 HydrophobicContact CZ-CD2 4.24Å; F77-Y84 AromaticContact CZ-CG 3.6Å; F77-Y84 HydrophobicContact CZ-CG 3.6Å; F77-Y84 PolarHBondContact N-O 2.86Å; F77-Y84 PolarHBondContact O-N 3.4Å; L79-Y84 HydrophobicContact CB-CD2 4.28Å; L79-Y84 HydrophobicContact CB-CE2 3.85Å; R82-Y84 HydrophobicContact CB-CD2 4.35Å; R82-Y84 HydrophobicContact CB-CE2 3.64Å |
| 85 | V | 96.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 69.3 Ų | 69.3 | 21% | 0.212 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 111 | 178.9 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | L53 K54 Y56 T76 T83 | L53-V85 CarbonylContact C-O 3.59Å; L53-V85 WeakPolarHBondContact CA-O 3.23Å; K54-V85 HydrophobicContact CB-CB 4.42Å; K54-V85 PolarHBondContact N-O 3.25Å; K54-V85 PolarHBondContact O-N 3.07Å; Y56-V85 HydrophobicContact CD2-CG2 4.11Å; Y56-V85 HydrophobicContact CE2-CB 4.44Å; Y56-V85 HydrophobicContact CE2-CG2 3.94Å; T76-V85 HydrophobicContact CG2-CG2 4.06Å; T83-V85 HydrophobicContact CG2-CG2 4.25Å |
| 86 | H | 96.2 | Very high | 95.3 | Very high | 36 Ų | 36 | 70.3 Ų | 70.3 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.8 | 173.1 | -70.9 | -149.1 | 0 | 0 | 0 | 108.9 | L53 D74 M75 F77 | L53-H86 VanDerWaalsContact CD1-CD2 3.43Å; L53-H86 WeakPolarHBondContact CD1-CD2 3.06Å; D74-H86 WeakPolarHBondContact CA-O 3.38Å; M75-H86 HydrophobicContact CG-CB 3.53Å; M75-H86 PolarHBondContact N-O 2.89Å; M75-H86 WeakPolarHBondContact O-CB 2.98Å; M75-H86 PolarHBondContact O-N 2.86Å; F77-H86 AromaticContact CE1-CD2 3.88Å; F77-H86 AromaticContact CE1-NE2 3.55Å |
| 87 | T | 97.3 | Very high | 94 | Very high | 40 Ų | 40 | 73.8 Ų | 73.8 | 25% | 0.245 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.7 | 174 | -50.8 | 0 | 0 | 0 | 0 | 109.5 | M51 L52 D74 L98 | M51-T87 CarbonylContact C-O 3.54Å; M51-T87 WeakPolarHBondContact CA-O 2.73Å; L52-T87 PolarHBondContact N-O 3.05Å; L52-T87 PolarHBondContact O-N 2.98Å; D74-T87 WeakPolarHBondContact OD1-CA 3.29Å; T87-L98 HydrophobicContact CG2-CD1 3.82Å; T87-L98 HydrophobicContact CG2-CD2 4.35Å |
| 88 | C | 96.8 | Very high | 92.2 | Very high | 26 Ų | 26 | 75.5 Ų | 75.5 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144.9 | -175.1 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | C50 C72 R73 D74 | C50-C88 WeakPolarHBondContact O-CA 3.41Å; C72-C88 VanDerWaalsContact CA-SG 3.54Å; C72-C88 HydrophobicContact CB-CB 3.82Å; C72-C88 WeakPolarHBondContact CB-SG 3.13Å; C72-C88 WeakPolarHBondContact SG-CB 3.45Å; C72-C88 CovalentContact SG-SG 2.02Å; C72-C88 PolarHBondContact SG-SG 3.35Å; R73-C88 PolarHBondContact N-SG 2.89Å; R73-C88 PolarHBondContact O-SG 2.86Å; D74-C88 PolarHBondContact OD1-N 2.91Å |
| 89 | C | 95.8 | Very high | 92 | Very high | 17 Ų | 17 | 73.6 Ų | 73.6 | 12% | 0.115 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 152.8 | 178.7 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | C50 C94 L98 | C50-C89 WeakPolarHBondContact CB-O 3.43Å; C50-C89 PolarHBondContact N-O 2.93Å; C50-C89 VanDerWaalsContact N-O 3.14Å; C50-C89 PolarHBondContact O-N 3.36Å; C89-C94 HydrophobicContact CB-CB 3.67Å; C89-C94 WeakPolarHBondContact CB-SG 3.25Å; C89-C94 PolarHBondContact O-SG 2.79Å; C89-C94 VanDerWaalsContact SG-C 3.56Å; C89-C94 WeakPolarHBondContact SG-CB 3.09Å; C89-C94 CovalentContact SG-SG 2.01Å; C89-C94 PolarHBondContact SG-SG 3.45Å; C89-L98 HydrophobicContact CB-CD1 4.49Å |
| 90 | N | 94.5 | Very high | 91.9 | Very high | 129 Ų | 129 | 71.6 Ų | 71.6 | 69% | 0.69 | 37% | 0.374 | S | S | * | . | trans | -121.8 | 36.8 | -168.2 | -67.6 | -22.3 | 0 | 0 | 0 | 113.3 | A49 | A49-N90 WeakPolarHBondContact CB-OD1 3.49Š| ||
| 91 | H | 93.3 | Very high | 91.7 | Very high | 113 Ų | 113 | 70.9 Ų | 70.9 | 52% | 0.523 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -136.2 | 157 | 171.5 | 64.3 | -88.3 | 0 | 0 | 0 | 110.8 | L21 Y93 C94 | L21-H91 WeakPolarHBondContact CD1-O 3.41Å; H91-Y93 PolarHBondContact O-N 2.04Å; H91-C94 VanDerWaalsContact CD2-CB 3.41Å; H91-C94 WeakPolarHBondContact CD2-CB 3.1Å; H91-C94 WeakPolarHBondContact CE1-CB 3.44Å; H91-C94 WeakPolarHBondContact ND1-CB 3.33Å; H91-C94 WeakPolarHBondContact NE2-CB 3.44Å; H91-C94 WeakPolarHBondContact O-CB 3.08Å; H91-C94 PolarHBondContact O-N 2.81Å; H91-C94 PolarHBondContact O-SG 3.46Å |
| 92 | N | 94.9 | Very high | 91.5 | Very high | 84 Ų | 84 | 68.9 Ų | 68.9 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 129.3 | -171.6 | -69.1 | -28.9 | 0 | 0 | 0 | 112 | Q22 C94 | Q22-N92 PolarHBondContact N-OD1 3.41Å; Q22-N92 CarbonylContact O-C 3.51Å; Q22-N92 VanDerWaalsContact O-CA 3.3Å; Q22-N92 WeakPolarHBondContact O-CA 3.45Å; N92-C94 PolarHBondContact O-N 3.27Å; N92-C94 VanDerWaalsContact O-N 3.15Å |
| 93 | Y | 94.6 | Very high | 91.2 | Very high | 110 Ų | 110 | 66.1 Ų | 66.1 | 43% | 0.431 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 18.2 | 176.8 | -46.9 | -65 | 0 | 0 | 0 | 115.5 | Q22 I24 A41 H91 N95 F96 | Q22-Y93 HydrophobicContact CB-CD1 4.3Å; Q22-Y93 HydrophobicContact CB-CE1 3.68Å; Q22-Y93 HydrophobicContact CB-CE2 4.38Å; Q22-Y93 PolarHBondContact O-N 2.95Å; I24-Y93 HydrophobicContact CD1-CD1 3.46Å; I24-Y93 VanDerWaalsContact CD1-CD1 3.46Å; I24-Y93 HydrophobicContact CD1-CE1 4.06Å; I24-Y93 HydrophobicContact CD1-CG 4.28Å; I24-Y93 HydrophobicContact CG1-CD1 3.89Å; I24-Y93 HydrophobicContact CG1-CG 4.47Å; A41-Y93 HydrophobicContact CB-CE1 4.15Å; H91-Y93 PolarHBondContact O-N 2.04Å; Y93-N95 PolarHBondContact O-N 3.41Å; Y93-F96 WeakPolarHBondContact O-CB 3.5Å; Y93-F96 PolarHBondContact O-N 2.85Å |
| 94 | C | 94.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -59.2 | -31.1 | -175.4 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | C50 C89 H91 N92 F96 Q97 | C50-C94 WeakPolarHBondContact CB-SG 3.45Å; C50-C94 VanDerWaalsContact SG-SG 3.68Å; C89-C94 HydrophobicContact CB-CB 3.67Å; C89-C94 WeakPolarHBondContact CB-SG 3.25Å; C89-C94 PolarHBondContact O-SG 2.79Å; C89-C94 VanDerWaalsContact SG-C 3.56Å; C89-C94 WeakPolarHBondContact SG-CB 3.09Å; C89-C94 CovalentContact SG-SG 2.01Å; C89-C94 PolarHBondContact SG-SG 3.45Å; H91-C94 VanDerWaalsContact CD2-CB 3.41Å; H91-C94 WeakPolarHBondContact CD2-CB 3.1Å; H91-C94 WeakPolarHBondContact CE1-CB 3.44Å; H91-C94 WeakPolarHBondContact ND1-CB 3.33Å; H91-C94 WeakPolarHBondContact NE2-CB 3.44Å; H91-C94 WeakPolarHBondContact O-CB 3.08Å; H91-C94 PolarHBondContact O-N 2.81Å; H91-C94 PolarHBondContact O-SG 3.46Å; N92-C94 PolarHBondContact O-N 3.27Å; N92-C94 VanDerWaalsContact O-N 3.15Å; C94-F96 PolarHBondContact O-N 3.46Å; C94-F96 VanDerWaalsContact O-N 3.16Å; C94-Q97 PolarHBondContact O-N 3.45Å |
| 95 | N | 94.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -73.9 | -1.6 | -177.5 | 65.5 | -22.8 | 0 | 0 | 0 | 114.2 | I24 C50 M51 L52 Y93 | I24-N95 PolarHBondContact N-OD1 3.05Å; I24-N95 PolarHBondContact O-ND2 3.15Å; C50-N95 HydrophobicContact CB-CB 4.02Å; M51-N95 PolarHBondContact O-ND2 3.4Å; M51-N95 VanDerWaalsContact O-ND2 3.09Å; L52-N95 HydrophobicContact CB-CB 4.33Å; Y93-N95 PolarHBondContact O-N 3.41Å |
| 96 | F | 87.1 | Confident | 89.9 | Confident | 107 Ų | 107 | 72.8 Ų | 72.8 | 47% | 0.469 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -87.3 | -27.2 | 175.2 | -169.4 | -110.4 | 0 | 0 | 0 | 114 | I24 M66 Y93 C94 | I24-F96 HydrophobicContact CB-CB 4.44Å; I24-F96 HydrophobicContact CG1-CB 3.91Å; I24-F96 HydrophobicContact CG1-CD2 4.36Å; I24-F96 HydrophobicContact CG1-CG 4.34Å; I24-F96 HydrophobicContact CG2-CD2 4.2Å; M66-F96 HydrophobicContact CE-CD2 4.39Å; M66-F96 HydrophobicContact SD-CD2 4.3Å; Y93-F96 WeakPolarHBondContact O-CB 3.5Å; Y93-F96 PolarHBondContact O-N 2.85Å; C94-F96 PolarHBondContact O-N 3.46Å; C94-F96 VanDerWaalsContact O-N 3.16Å |
| 97 | Q | 69.3 | Low | 89.4 | Confident | 171 Ų | 171 | 75.8 Ų | 75.8 | 80% | 0.799 | 38% | 0.375 | S | S | * | . | trans | -96.6 | 2.2 | -171.9 | -64.2 | -176.2 | -6.4 | 0 | 0 | 114 | C94 | C94-Q97 PolarHBondContact O-N 3.45Š| ||
| 98 | L | 60 | Low | 88.6 | Confident | 108 Ų | 108 | 79.1 Ų | 79.1 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | trans | -96.2 | 0 | -169.8 | -78.6 | 168.7 | 0 | 0 | 0 | 115.1 | L52 K54 T87 C89 | L52-L98 HydrophobicContact CD2-CB 3.4Å; L52-L98 VanDerWaalsContact CD2-CB 3.4Å; L52-L98 WeakPolarHBondContact CD2-O 3.32Å; K54-L98 WeakPolarHBondContact CE-O 2.96Å; K54-L98 PolarHBondContact NZ-O 2.87Å; K54-L98 PolarHBondContact NZ-OXT 3.27Å; T87-L98 HydrophobicContact CG2-CD1 3.82Å; T87-L98 HydrophobicContact CG2-CD2 4.35Å; C89-L98 HydrophobicContact CB-CD1 4.49Å |
Retrieved 98 of 98 residues in 54.9 ms
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