| 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 | 29.4 | Very low | 34 | Very low | 248 Ų | 248 | 77.8 Ų | 77.8 | 100% | 1.222 | 48% | 0.477 | S | S | * | . | 0 | 93.9 | 0 | -71.5 | -141.5 | -139.6 | 0 | 0 | 107.9 | |||||
| 2 | L | 24.6 | Very low | 33.5 | Very low | 173 Ų | 173 | 81.8 Ų | 81.8 | 91% | 0.906 | 48% | 0.482 | S | S | * | . | trans | -83.4 | 110.3 | 172.9 | -84.4 | 126.5 | 0 | 0 | 0 | 107.3 | V4 | L2-V4 PolarHBondContact O-N 3.39Š| ||
| 3 | G | 29 | Very low | 32.9 | Very low | 74 Ų | 74 | 83.4 Ų | 83.4 | 76% | 0.763 | 49% | 0.494 | S | S | * | . | trans | -68.4 | 113.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C5 | G3-C5 PolarHBondContact O-N 3.28Š| ||
| 4 | V | 33.5 | Very low | 32.5 | Very low | 71 Ų | 71 | 87.9 Ų | 87.9 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | trans | -77.8 | 107.7 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | L2 Y382 | L2-V4 PolarHBondContact O-N 3.39Å; V4-Y382 HydrophobicContact CG1-CE2 3.9Å; V4-Y382 WeakPolarHBondContact CG1-OH 3Å | ||
| 5 | C | 34.5 | Very low | 32.2 | Very low | 72 Ų | 72 | 91.5 Ų | 91.5 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | trans | -79.2 | 114.8 | 174.8 | -156 | 0 | 0 | 0 | 0 | 108.4 | G3 | G3-C5 PolarHBondContact O-N 3.28Š| ||
| 6 | V | 39.8 | Very low | 31.8 | Very low | 11 Ų | 11 | 94.1 Ų | 94.1 | 7% | 0.067 | 54% | 0.541 | C | S | . | . | trans | -92.8 | 112.6 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | M430 T432 S443 | V6-M430 HydrophobicContact CG1-CE 3.92Å; V6-T432 HydrophobicContact CB-CG2 4.44Å; V6-T432 HydrophobicContact CG1-CG2 4.04Å; V6-T432 WeakPolarHBondContact CG1-OG1 3.32Å; V6-T432 HydrophobicContact CG2-CG2 4.06Å; V6-S443 PolarHBondContact O-OG 2.77Å; V6-S443 VanDerWaalsContact O-OG 3.08Å | ||
| 7 | C | 43.6 | Very low | 31.6 | Very low | 20 Ų | 20 | 94.5 Ų | 94.5 | 14% | 0.135 | 55% | 0.551 | C | S | . | * | trans | -96.1 | 149.9 | -170.9 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | R340 T379 | C7-R340 PolarHBondContact SG-NH1 2.62Å; C7-T379 VanDerWaalsContact CA-OG1 3.27Å; C7-T379 WeakPolarHBondContact CA-OG1 3.16Å; C7-T379 HydrophobicContact CB-CG2 3.96Å; C7-T379 WeakPolarHBondContact CB-OG1 3.38Å; C7-T379 PolarHBondContact N-OG1 3.09Å; C7-T379 WeakPolarHBondContact O-CB 3.39Å; C7-T379 PolarHBondContact O-N 3.09Å; C7-T379 PolarHBondContact O-OG1 3.09Å | ||
| 8 | L | 39.4 | Very low | 31.3 | Very low | 19 Ų | 19 | 99.2 Ų | 99.2 | 10% | 0.099 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.1 | 168.1 | -91.7 | 159.9 | 0 | 0 | 0 | 108.3 | I376 F389 M430 L445 | L8-I376 HydrophobicContact CD2-CG2 3.29Å; L8-F389 HydrophobicContact CD2-CE1 4.36Å; L8-M430 HydrophobicContact CD1-CB 3.65Å; L8-M430 HydrophobicContact CD1-CE 4.32Å; L8-M430 HydrophobicContact CD1-SD 4.49Å; L8-M430 HydrophobicContact CD2-CB 4.02Å; L8-M430 HydrophobicContact CD2-CE 4.25Å; L8-M430 HydrophobicContact CD2-CG 4.44Å; L8-M430 HydrophobicContact CD2-SD 3.66Å; L8-M430 HydrophobicContact CG-CB 4Å; L8-M430 HydrophobicContact CG-CE 3.7Å; L8-M430 HydrophobicContact CG-SD 3.79Å; L8-L445 HydrophobicContact CD1-CB 4.48Å |
| 9 | C | 36 | Very low | 31.1 | Very low | 67 Ų | 67 | 103.2 Ų | 103.2 | 45% | 0.453 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.8 | 167.5 | -101.4 | 0 | 0 | 0 | 0 | 109.3 | Q377 T379 | C9-Q377 PolarHBondContact N-O 3.48Å; C9-Q377 CarbonylContact O-C 3.55Å; C9-Q377 WeakPolarHBondContact O-CB 3.46Å; C9-Q377 PolarHBondContact O-N 2.91Å; C9-T379 HydrophobicContact CB-CG2 3.31Å; C9-T379 WeakPolarHBondContact SG-CG2 3.31Å |
| 10 | A | 34.5 | Very low | 31 | Very low | 31 Ų | 31 | 103.6 Ų | 103.6 | 26% | 0.256 | 59% | 0.585 | S | S | . | * | trans | -93.6 | 125.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | F374 | A10-F374 HydrophobicContact CB-CZ 3.9Š| ||
| 11 | V | 29.2 | Very low | 31 | Very low | 70 Ų | 70 | 108 Ų | 108 | 42% | 0.424 | 60% | 0.601 | S | S | . | * | trans | -101.6 | 114 | 165.1 | 178.3 | 0 | 0 | 0 | 0 | 106.1 | T13 | V11-T13 PolarHBondContact O-N 3Š| ||
| 12 | F | 28.2 | Very low | 31.1 | Very low | 125 Ų | 125 | 103.7 Ų | 103.7 | 55% | 0.548 | 58% | 0.578 | S | S | . | * | trans | -74.7 | 111.5 | 169.1 | -94.1 | -95.7 | 0 | 0 | 0 | 107.9 | Q14 | F12-Q14 VanDerWaalsContact C-N 3.31Å; F12-Q14 PolarHBondContact O-N 3.33Å | ||
| 13 | T | 25.6 | Very low | 31.7 | Very low | 103 Ų | 103 | 100.2 Ų | 100.2 | 63% | 0.632 | 57% | 0.566 | S | S | * | * | trans | -83.4 | 86 | 154 | 48.5 | 0 | 0 | 0 | 0 | 107 | V11 V15 | V11-T13 PolarHBondContact O-N 3Å; T13-V15 PolarHBondContact O-N 3.01Å | ||
| 14 | Q | 27.5 | Very low | 32.5 | Very low | 147 Ų | 147 | 103.7 Ų | 103.7 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | trans | -66.8 | 116.7 | 154.3 | -83.4 | -178.5 | -25.8 | 0 | 0 | 106.2 | F12 L16 | F12-Q14 VanDerWaalsContact C-N 3.31Å; F12-Q14 PolarHBondContact O-N 3.33Å; Q14-L16 HydrophobicContact CB-CD1 4.03Å; Q14-L16 PolarHBondContact O-N 3.33Å | ||
| 15 | V | 28.2 | Very low | 33.2 | Very low | 141 Ų | 141 | 105.2 Ų | 105.2 | 86% | 0.855 | 58% | 0.581 | S | S | * | * | trans | -70.5 | 91.1 | 155.9 | 178.2 | 0 | 0 | 0 | 0 | 104.5 | T13 S17 | T13-V15 PolarHBondContact O-N 3.01Å; V15-S17 PolarHBondContact O-N 2.62Å; V15-S17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | L | 26 | Very low | 34.3 | Very low | 133 Ų | 133 | 105.7 Ų | 105.7 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | trans | -64.4 | 107.1 | 163.7 | -95.4 | 100 | 0 | 0 | 0 | 106.4 | Q14 Q18 | Q14-L16 HydrophobicContact CB-CD1 4.03Å; Q14-L16 PolarHBondContact O-N 3.33Å; L16-Q18 PolarHBondContact O-N 3.03Å | ||
| 17 | S | 27.7 | Very low | 35.1 | Very low | 102 Ų | 102 | 110.2 Ų | 110.2 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | trans | -60.3 | 115.2 | 150.3 | 47 | 0 | 0 | 0 | 0 | 106.5 | V15 E19 | V15-S17 PolarHBondContact O-N 2.62Å; V15-S17 VanDerWaalsContact O-N 3.11Å; S17-E19 PolarHBondContact O-N 2.94Å | ||
| 18 | Q | 26.2 | Very low | 36.1 | Very low | 178 Ų | 178 | 110.7 Ų | 110.7 | 83% | 0.832 | 62% | 0.617 | S | S | * | * | trans | -59.3 | 107.8 | 166.4 | -84 | 175.1 | -48.4 | 0 | 0 | 107.7 | L16 T20 | L16-Q18 PolarHBondContact O-N 3.03Å; Q18-T20 VanDerWaalsContact C-N 3.35Å; Q18-T20 PolarHBondContact O-N 3.23Å; Q18-T20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | E | 28.9 | Very low | 37.4 | Very low | 175 Ų | 175 | 114.7 Ų | 114.7 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | trans | -67.4 | 102.1 | 156.5 | -73.8 | -178.5 | 155.3 | 0 | 0 | 106.4 | S17 E21 | S17-E19 PolarHBondContact O-N 2.94Å; E19-E21 PolarHBondContact O-N 2Å | ||
| 20 | T | 28.1 | Very low | 38.6 | Very low | 111 Ų | 111 | 120 Ų | 120 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | trans | -64.4 | 118.3 | 161.2 | 44.8 | 0 | 0 | 0 | 0 | 107.1 | Q18 E22 | Q18-T20 VanDerWaalsContact C-N 3.35Å; Q18-T20 PolarHBondContact O-N 3.23Å; Q18-T20 VanDerWaalsContact O-N 3.11Å; T20-E22 PolarHBondContact O-N 3.16Å | ||
| 21 | E | 31.1 | Very low | 40 | Very low | 196 Ų | 196 | 119.2 Ų | 119.2 | 92% | 0.916 | 66% | 0.656 | S | S | * | * | trans | -51.7 | 106.2 | 165.9 | -75.4 | -179.7 | 150.7 | 0 | 0 | 108.4 | E19 | E19-E21 PolarHBondContact O-N 2Š| ||
| 22 | E | 32.5 | Very low | 42.1 | Very low | 159 Ų | 159 | 119 Ų | 119 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -68.8 | 131.8 | 173.2 | -71.4 | -167.8 | 156.5 | 0 | 0 | 108.7 | T20 V24 | T20-E22 PolarHBondContact O-N 3.16Å; E22-V24 PolarHBondContact O-N 2.86Å | ||
| 23 | P | 37 | Very low | 44.3 | Very low | 100 Ų | 100 | 116.7 Ų | 116.7 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | trans | -63.8 | 138.3 | 174.6 | 27.4 | -32.4 | 0 | 0 | 0 | 108.9 | T25 | P23-T25 WeakPolarHBondContact O-CG2 2.89Å; P23-T25 PolarHBondContact O-N 2.98Å | ||
| 24 | V | 44.5 | Very low | 46.8 | Very low | 147 Ų | 147 | 115.5 Ų | 115.5 | 89% | 0.891 | 63% | 0.628 | S | S | * | * | trans | -41.1 | 104.1 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | E22 V26 | E22-V24 PolarHBondContact O-N 2.86Å; V24-V26 PolarHBondContact O-N 3.11Å | ||
| 25 | T | 49.2 | Very low | 49.2 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | trans | -78.1 | 117.4 | 179.6 | 45.3 | 0 | 0 | 0 | 0 | 107 | P23 S27 | P23-T25 WeakPolarHBondContact O-CG2 2.89Å; P23-T25 PolarHBondContact O-N 2.98Å; T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 3.49Å | ||
| 26 | V | 56.7 | Low | 51.3 | Low | 82 Ų | 82 | 113.2 Ų | 113.2 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | trans | -66.1 | 103.3 | 163.5 | -179.9 | 0 | 0 | 0 | 0 | 105.5 | V24 C28 Y34 | V24-V26 PolarHBondContact O-N 3.11Å; V26-C28 PolarHBondContact O-N 2.66Å; V26-Y34 HydrophobicContact CB-CD1 4.49Å; V26-Y34 HydrophobicContact CB-CD2 4.04Å; V26-Y34 HydrophobicContact CB-CE2 4.12Å; V26-Y34 HydrophobicContact CB-CG 4.23Å; V26-Y34 HydrophobicContact CG1-CD2 3.59Å; V26-Y34 HydrophobicContact CG1-CE2 3.61Å; V26-Y34 HydrophobicContact CG1-CG 4.26Å; V26-Y34 HydrophobicContact CG2-CE2 4.41Å | ||
| 27 | S | 58 | Low | 53.5 | Low | 107 Ų | 107 | 113.2 Ų | 113.2 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | trans | -80.1 | 111.6 | 178.4 | 45.8 | 0 | 0 | 0 | 0 | 109 | T25 | T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 3.49Å | ||
| 28 | C | 64.5 | Low | 55.7 | Low | 29 Ų | 29 | 115.6 Ų | 115.6 | 20% | 0.196 | 60% | 0.599 | C | S | . | * | P | Polyproline II helix | trans | -78.3 | 153 | 163.3 | -64.9 | 0 | 0 | 0 | 0 | 108.9 | V26 Y32 C41 | V26-C28 PolarHBondContact O-N 2.66Å; C28-Y32 WeakPolarHBondContact CB-O 3.18Å; C28-C41 VanDerWaalsContact CA-SG 3.52Å; C28-C41 HydrophobicContact CB-CB 3.86Å; C28-C41 WeakPolarHBondContact CB-SG 3.02Å; C28-C41 VanDerWaalsContact SG-CA 3.56Å; C28-C41 WeakPolarHBondContact SG-CB 3.5Å; C28-C41 CovalentContact SG-SG 2.04Å; C28-C41 PolarHBondContact SG-SG 2.85Å |
| 29 | T | 65.8 | Low | 58 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 63% | 0.632 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 154.8 | 170.1 | 44.8 | 0 | 0 | 0 | 0 | 110.5 | G31 Y32 | T29-G31 PolarHBondContact O-N 2.78Å; T29-Y32 PolarHBondContact O-N 2.79Å; T29-Y32 VanDerWaalsContact O-N 3.08Å; T29-Y32 WeakPolarHBondContact OG1-CD2 3.23Å |
| 30 | E | 62.3 | Low | 59.9 | Low | 179 Ų | 179 | 111.1 Ų | 111.1 | 84% | 0.836 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 141.3 | 174.7 | -65.9 | -169.7 | 158.7 | 0 | 0 | 110.6 | ||
| 31 | G | 62.9 | Low | 61.9 | Low | 15 Ų | 15 | 108.5 Ų | 108.5 | 16% | 0.155 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 85.9 | -2.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T29 I44 | T29-G31 PolarHBondContact O-N 2.78Å; G31-I44 WeakPolarHBondContact O-CB 3.32Å; G31-I44 PolarHBondContact O-N 3.25Å |
| 32 | Y | 73 | Confident | 64.2 | Low | 66 Ų | 66 | 105.4 Ų | 105.4 | 26% | 0.259 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.6 | 179.1 | -64.5 | -101.3 | 0 | 0 | 0 | 112 | C28 T29 R42 D43 F64 G65 | C28-Y32 WeakPolarHBondContact CB-O 3.18Å; T29-Y32 PolarHBondContact O-N 2.79Å; T29-Y32 VanDerWaalsContact O-N 3.08Å; T29-Y32 WeakPolarHBondContact OG1-CD2 3.23Å; Y32-R42 CarbonylContact C-O 3.56Å; Y32-R42 WeakPolarHBondContact CA-O 3.37Å; Y32-D43 HydrophobicContact CD1-CB 4.34Å; Y32-D43 HydrophobicContact CE1-CB 4.1Å; Y32-F64 VanDerWaalsContact OH-C 3.32Å; Y32-G65 PolarHBondContact OH-N 3.5Å; Y32-G65 VanDerWaalsContact OH-N 3.13Å |
| 33 | T | 75.2 | Confident | 66.5 | Low | 76 Ų | 76 | 98.9 Ų | 98.9 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.2 | 175.3 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | D35 R42 I44 | T33-D35 PolarHBondContact O-N 3.17Å; T33-R42 PolarHBondContact N-O 3.33Å; T33-R42 PolarHBondContact O-N 3.19Å; T33-I44 HydrophobicContact CG2-CG1 3.9Å |
| 34 | Y | 78.3 | Confident | 68.5 | Low | 77 Ų | 77 | 96.2 Ų | 96.2 | 30% | 0.302 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 110.5 | -178.3 | -171.8 | -106.3 | 0 | 0 | 0 | 110.9 | V26 R36 E39 | V26-Y34 HydrophobicContact CB-CD1 4.49Å; V26-Y34 HydrophobicContact CB-CD2 4.04Å; V26-Y34 HydrophobicContact CB-CE2 4.12Å; V26-Y34 HydrophobicContact CB-CG 4.23Å; V26-Y34 HydrophobicContact CG1-CD2 3.59Å; V26-Y34 HydrophobicContact CG1-CE2 3.61Å; V26-Y34 HydrophobicContact CG1-CG 4.26Å; V26-Y34 HydrophobicContact CG2-CE2 4.41Å; Y34-R36 HydrophobicContact CD1-CG 3.9Å; Y34-R36 HydrophobicContact CE1-CG 4.1Å; Y34-R36 PolarHBondContact O-N 2.86Å; Y34-E39 WeakPolarHBondContact OH-CA 3.28Å |
| 35 | D | 77.3 | Confident | 70.2 | Confident | 28 Ų | 28 | 91.1 Ų | 91.1 | 15% | 0.15 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 101.8 | 173.5 | -175.1 | -19 | 0 | 0 | 0 | 109.2 | T33 V37 R38 E39 Q40 R42 | T33-D35 PolarHBondContact O-N 3.17Å; D35-V37 PolarHBondContact O-N 3.12Å; D35-V37 VanDerWaalsContact O-N 3.16Å; D35-V37 WeakPolarHBondContact OD1-CB 2.97Å; D35-V37 PolarHBondContact OD1-N 3.43Å; D35-R38 HydrophobicContact CB-CB 4.38Å; D35-R38 PolarHBondContact O-N 2.03Å; D35-R38 PolarHBondContact OD1-N 3.43Å; D35-R38 IonicContact OD2-CZ 2.7Å; D35-R38 IonicContact OD2-NH1 2.91Å; D35-R38 PolarHBondContact OD2-NH1 2.83Å; D35-E39 WeakPolarHBondContact O-CA 3.24Å; D35-E39 PolarHBondContact O-N 2.92Å; D35-Q40 PolarHBondContact N-O 3.38Å; D35-Q40 PolarHBondContact O-N 2.9Å; D35-R42 HydrophobicContact CB-CB 4.31Å |
| 36 | R | 72.9 | Confident | 71.9 | Confident | 212 Ų | 212 | 87.4 Ų | 87.4 | 80% | 0.8 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.3 | 179.7 | -67 | -173.3 | 179.4 | -128.8 | 0.3 | 114.1 | Y34 | Y34-R36 HydrophobicContact CD1-CG 3.9Å; Y34-R36 HydrophobicContact CE1-CG 4.1Å; Y34-R36 PolarHBondContact O-N 2.86Å |
| 37 | V | 72.4 | Confident | 73 | Confident | 134 Ų | 134 | 85.2 Ų | 85.2 | 81% | 0.812 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -34.3 | -179.8 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | D35 | D35-V37 PolarHBondContact O-N 3.12Å; D35-V37 VanDerWaalsContact O-N 3.16Å; D35-V37 WeakPolarHBondContact OD1-CB 2.97Å; D35-V37 PolarHBondContact OD1-N 3.43Å |
| 38 | R | 73.5 | Confident | 74.1 | Confident | 151 Ų | 151 | 88 Ų | 88 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -3.1 | -179.9 | -65 | -173.5 | 176.5 | 94.8 | -3.8 | 113.8 | D35 Q40 | D35-R38 HydrophobicContact CB-CB 4.38Å; D35-R38 PolarHBondContact O-N 2.03Å; D35-R38 PolarHBondContact OD1-N 3.43Å; D35-R38 IonicContact OD2-CZ 2.7Å; D35-R38 IonicContact OD2-NH1 2.91Å; D35-R38 PolarHBondContact OD2-NH1 2.83Å; R38-Q40 HydrophobicContact CB-CG 3.73Å; R38-Q40 PolarHBondContact O-N 2.92Å |
| 39 | E | 73.2 | Confident | 74.8 | Confident | 157 Ų | 157 | 92.8 Ų | 92.8 | 73% | 0.734 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 36.1 | -176.1 | -61.3 | -174.1 | 163.6 | 0 | 0 | 112.9 | Y34 D35 | Y34-E39 WeakPolarHBondContact OH-CA 3.28Å; D35-E39 WeakPolarHBondContact O-CA 3.24Å; D35-E39 PolarHBondContact O-N 2.92Å |
| 40 | Q | 70.6 | Confident | 75.2 | Confident | 103 Ų | 103 | 91.8 Ų | 91.8 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.8 | -177.3 | 71.5 | -174.5 | 17.9 | 0 | 0 | 111.2 | D35 R38 R42 | D35-Q40 PolarHBondContact N-O 3.38Å; D35-Q40 PolarHBondContact O-N 2.9Å; R38-Q40 HydrophobicContact CB-CG 3.73Å; R38-Q40 PolarHBondContact O-N 2.92Å; Q40-R42 PolarHBondContact O-N 3.29Å |
| 41 | C | 69.2 | Low | 75.3 | Confident | 56 Ų | 56 | 92.9 Ų | 92.9 | 38% | 0.378 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 124.9 | 169.2 | -65.1 | 0 | 0 | 0 | 0 | 109.1 | C28 | C28-C41 VanDerWaalsContact CA-SG 3.52Å; C28-C41 HydrophobicContact CB-CB 3.86Å; C28-C41 WeakPolarHBondContact CB-SG 3.02Å; C28-C41 VanDerWaalsContact SG-CA 3.56Å; C28-C41 WeakPolarHBondContact SG-CB 3.5Å; C28-C41 CovalentContact SG-SG 2.04Å; C28-C41 PolarHBondContact SG-SG 2.85Å |
| 42 | R | 80.1 | Confident | 75.7 | Confident | 130 Ų | 130 | 99.1 Ų | 99.1 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.5 | 174.9 | -164.9 | -170.9 | 99.9 | 161.3 | 7.1 | 108.7 | Y32 T33 D35 Q40 I44 | Y32-R42 CarbonylContact C-O 3.56Å; Y32-R42 WeakPolarHBondContact CA-O 3.37Å; T33-R42 PolarHBondContact N-O 3.33Å; T33-R42 PolarHBondContact O-N 3.19Å; D35-R42 HydrophobicContact CB-CB 4.31Å; Q40-R42 PolarHBondContact O-N 3.29Å; R42-I44 PolarHBondContact O-N 3.35Å |
| 43 | D | 79.3 | Confident | 75.5 | Confident | 23 Ų | 23 | 96.8 Ų | 96.8 | 12% | 0.123 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 134 | 168.3 | -170.3 | 60.7 | 0 | 0 | 0 | 111.4 | Y32 N62 F64 G65 | Y32-D43 HydrophobicContact CD1-CB 4.34Å; Y32-D43 HydrophobicContact CE1-CB 4.1Å; D43-N62 PolarHBondContact OD2-ND2 3.34Å; D43-F64 WeakPolarHBondContact OD1-CA 3.47Å; D43-G65 PolarHBondContact OD1-N 2.87Å |
| 44 | I | 80.5 | Confident | 75.4 | Confident | 43 Ų | 43 | 93.9 Ų | 93.9 | 22% | 0.221 | 45% | 0.452 | C | S | . | . | trans | -82.9 | 135.3 | 172.2 | -66.3 | 174.9 | 0 | 0 | 0 | 106.9 | G31 T33 R42 E46 L49 N62 | G31-I44 WeakPolarHBondContact O-CB 3.32Å; G31-I44 PolarHBondContact O-N 3.25Å; T33-I44 HydrophobicContact CG2-CG1 3.9Å; R42-I44 PolarHBondContact O-N 3.35Å; I44-E46 HydrophobicContact CG2-CG 4.11Å; I44-E46 PolarHBondContact O-N 3.14Å; I44-L49 HydrophobicContact CG2-CD1 3.3Å; I44-N62 PolarHBondContact O-OD1 2.98Å | ||
| 45 | D | 80.3 | Confident | 75.2 | Confident | 41 Ų | 41 | 99.2 Ų | 99.2 | 22% | 0.219 | 48% | 0.476 | C | S | . | . | trans | -89.6 | 91 | 170.7 | -167.1 | -35 | 0 | 0 | 0 | 108.8 | C47 E48 L49 N62 | D45-C47 PolarHBondContact O-N 2.92Å; D45-C47 WeakPolarHBondContact OD1-CB 3.31Å; D45-C47 PolarHBondContact OD1-N 3.49Å; D45-C47 VanDerWaalsContact OD1-N 3.16Å; D45-E48 HydrophobicContact CB-CB 4.38Å; D45-E48 HydrophobicContact CB-CG 4.41Å; D45-E48 PolarHBondContact O-N 2.78Å; D45-E48 PolarHBondContact OD1-N 2.99Å; D45-E48 VanDerWaalsContact OD1-N 3.15Å; D45-L49 PolarHBondContact O-N 2.91Å; D45-N62 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 46 | E | 83.6 | Confident | 74.8 | Confident | 23 Ų | 23 | 101.7 Ų | 101.7 | 11% | 0.107 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -69.1 | -22.8 | -178.6 | -63.5 | 83.2 | -177.3 | 0 | 0 | 112.5 | I44 E48 L49 L50 G66 Y67 | I44-E46 HydrophobicContact CG2-CG 4.11Å; I44-E46 PolarHBondContact O-N 3.14Å; E46-E48 VanDerWaalsContact C-N 3.28Å; E46-E48 PolarHBondContact O-N 3.46Å; E46-L49 PolarHBondContact O-N 2.74Å; E46-L50 HydrophobicContact CB-CD1 4.26Å; E46-L50 WeakPolarHBondContact O-CB 3.06Å; E46-L50 PolarHBondContact O-N 2.74Å; E46-G66 VanDerWaalsContact OE2-CA 3.25Å; E46-G66 WeakPolarHBondContact OE2-CA 3.33Å; E46-Y67 HydrophobicContact CB-CD1 3.39Å; E46-Y67 HydrophobicContact CB-CE1 3.94Å; E46-Y67 HydrophobicContact CB-CG 4.14Å; E46-Y67 HydrophobicContact CG-CD1 3.91Å; E46-Y67 HydrophobicContact CG-CE1 4.36Å |
| 47 | C | 80.3 | Confident | 74.5 | Confident | 37 Ų | 37 | 94 Ų | 94 | 25% | 0.25 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -68 | -28.9 | 175.7 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | D45 C60 V61 N62 | D45-C47 PolarHBondContact O-N 2.92Å; D45-C47 WeakPolarHBondContact OD1-CB 3.31Å; D45-C47 PolarHBondContact OD1-N 3.49Å; D45-C47 VanDerWaalsContact OD1-N 3.16Å; C47-C60 WeakPolarHBondContact CA-SG 3.14Å; C47-C60 HydrophobicContact CB-CB 3.79Å; C47-C60 WeakPolarHBondContact CB-SG 3.38Å; C47-C60 WeakPolarHBondContact SG-CB 3.35Å; C47-C60 CovalentContact SG-SG 2.04Å; C47-C60 PolarHBondContact SG-SG 3.15Å; C47-V61 PolarHBondContact SG-N 3.48Å; C47-N62 PolarHBondContact SG-N 2.84Å; C47-N62 VanDerWaalsContact SG-N 3.41Å |
| 48 | E | 81.5 | Confident | 74.8 | Confident | 166 Ų | 166 | 92.1 Ų | 92.1 | 78% | 0.776 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -82.6 | -24.8 | 172.3 | -70.6 | -166.1 | 162 | 0 | 0 | 113.1 | D45 E46 | D45-E48 HydrophobicContact CB-CB 4.38Å; D45-E48 HydrophobicContact CB-CG 4.41Å; D45-E48 PolarHBondContact O-N 2.78Å; D45-E48 PolarHBondContact OD1-N 2.99Å; D45-E48 VanDerWaalsContact OD1-N 3.15Å; E46-E48 VanDerWaalsContact C-N 3.28Å; E46-E48 PolarHBondContact O-N 3.46Å |
| 49 | L | 77.7 | Confident | 75.3 | Confident | 128 Ų | 128 | 89 Ų | 89 | 67% | 0.67 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -92.1 | -31.1 | -174.8 | -72.5 | 166 | 0 | 0 | 0 | 114.2 | I44 D45 E46 | I44-L49 HydrophobicContact CG2-CD1 3.3Å; D45-L49 PolarHBondContact O-N 2.91Å; E46-L49 PolarHBondContact O-N 2.74Å |
| 50 | L | 74.6 | Confident | 75.7 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | trans | -104.1 | 108.1 | -178.5 | -64.2 | 172.3 | 0 | 0 | 0 | 110.1 | E46 D52 A53 Y67 | E46-L50 HydrophobicContact CB-CD1 4.26Å; E46-L50 WeakPolarHBondContact O-CB 3.06Å; E46-L50 PolarHBondContact O-N 2.74Å; L50-D52 PolarHBondContact O-N 2.79Å; L50-A53 HydrophobicContact CB-CB 3.87Å; L50-A53 HydrophobicContact CD1-CB 4.48Å; L50-A53 PolarHBondContact O-N 2.82Å; L50-Y67 HydrophobicContact CD1-CE1 4.07Å | ||
| 51 | E | 65.1 | Low | 76.3 | Confident | 201 Ų | 201 | 79.7 Ų | 79.7 | 94% | 0.939 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.1 | -179.8 | -81.2 | -173.7 | 154.4 | 0 | 0 | 113.5 | ||
| 52 | D | 72.1 | Confident | 76.6 | Confident | 147 Ų | 147 | 79.7 Ų | 79.7 | 79% | 0.786 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | 50.7 | 176 | -75.7 | -43.7 | 0 | 0 | 0 | 111.5 | L50 C54 | L50-D52 PolarHBondContact O-N 2.79Å; D52-C54 PolarHBondContact O-N 2.88Å; D52-C54 VanDerWaalsContact O-N 3.07Å |
| 53 | A | 66.9 | Low | 76.6 | Confident | 16 Ų | 16 | 77.2 Ų | 77.2 | 13% | 0.132 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -49.6 | -36.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L50 C60 Y67 | L50-A53 HydrophobicContact CB-CB 3.87Å; L50-A53 HydrophobicContact CD1-CB 4.48Å; L50-A53 PolarHBondContact O-N 2.82Å; A53-C60 HydrophobicContact CB-CB 4.07Å; A53-C60 WeakPolarHBondContact CB-SG 3.32Å; A53-Y67 HydrophobicContact CB-CD2 4.1Å; A53-Y67 HydrophobicContact CB-CE2 3.83Å; A53-Y67 VanDerWaalsContact O-CE2 3.23Å; A53-Y67 WeakPolarHBondContact O-CE2 3.03Å; A53-Y67 PolarHBondContact O-OH 2.97Å |
| 54 | C | 73.6 | Confident | 76.3 | Confident | 16 Ų | 16 | 83.9 Ų | 83.9 | 11% | 0.108 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -120.4 | 123.3 | -178.5 | -60.1 | 0 | 0 | 0 | 0 | 113 | D52 M58 C69 | D52-C54 PolarHBondContact O-N 2.88Å; D52-C54 VanDerWaalsContact O-N 3.07Å; C54-M58 HydrophobicContact CB-CB 3.89Å; C54-C69 WeakPolarHBondContact CA-SG 3.47Å; C54-C69 HydrophobicContact CB-CB 3.75Å; C54-C69 WeakPolarHBondContact CB-SG 3.43Å; C54-C69 WeakPolarHBondContact SG-CA 3.35Å; C54-C69 WeakPolarHBondContact SG-CB 3.49Å; C54-C69 CovalentContact SG-SG 2.03Å; C54-C69 PolarHBondContact SG-SG 3.13Å |
| 55 | K | 74 | Confident | 75.7 | Confident | 188 Ų | 188 | 82.4 Ų | 82.4 | 82% | 0.817 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -77.9 | 154.7 | 176.2 | -67.3 | -179.1 | -177.8 | 171.2 | 0 | 112 | ||
| 56 | G | 69.1 | Low | 75.6 | Confident | 81 Ų | 81 | 81.1 Ų | 81.1 | 84% | 0.835 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 21.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 57 | G | 67.4 | Low | 75.4 | Confident | 50 Ų | 50 | 84 Ų | 84 | 52% | 0.515 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 17.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K72 | G57-K72 VanDerWaalsContact O-CD 3.31Å; G57-K72 WeakPolarHBondContact O-CD 3.48Å; G57-K72 WeakPolarHBondContact O-CE 3.34Å; G57-K72 WeakPolarHBondContact O-CG 3.24Å |
| 58 | M | 77.9 | Confident | 75.2 | Confident | 94 Ų | 94 | 83.3 Ų | 83.3 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 159.1 | 170.6 | -62.1 | -179.9 | -159.1 | 0 | 0 | 111.2 | C54 C69 L70 | C54-M58 HydrophobicContact CB-CB 3.89Å; M58-C69 HydrophobicContact CB-CB 4.36Å; M58-C69 HydrophobicContact SD-CB 4.12Å; M58-L70 CarbonylContact C-O 3.22Å; M58-L70 WeakPolarHBondContact CA-O 3.3Å; M58-L70 WeakPolarHBondContact CB-O 3.34Å |
| 59 | Q | 83.4 | Confident | 75.1 | Confident | 87 Ų | 87 | 77.5 Ų | 77.5 | 41% | 0.407 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.9 | 174.6 | 175.4 | 175.3 | -13.8 | 0 | 0 | 109.9 | L70 K72 | Q59-L70 PolarHBondContact N-O 2.87Å; Q59-L70 PolarHBondContact O-N 2.63Å; Q59-K72 HydrophobicContact CB-CG 4.35Å |
| 60 | C | 82.1 | Confident | 75 | Confident | 32 Ų | 32 | 72.4 Ų | 72.4 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 138.2 | 173.5 | -168 | 0 | 0 | 0 | 0 | 110.8 | C47 A53 Y67 L68 | C47-C60 WeakPolarHBondContact CA-SG 3.14Å; C47-C60 HydrophobicContact CB-CB 3.79Å; C47-C60 WeakPolarHBondContact CB-SG 3.38Å; C47-C60 WeakPolarHBondContact SG-CB 3.35Å; C47-C60 CovalentContact SG-SG 2.04Å; C47-C60 PolarHBondContact SG-SG 3.15Å; A53-C60 HydrophobicContact CB-CB 4.07Å; A53-C60 WeakPolarHBondContact CB-SG 3.32Å; C60-Y67 WeakPolarHBondContact SG-CD2 3.39Å; C60-L68 CarbonylContact C-O 3.5Å; C60-L68 WeakPolarHBondContact CA-O 3.48Å |
| 61 | V | 83.9 | Confident | 75 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122.2 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | C47 Y67 L68 L70 I76 | C47-V61 PolarHBondContact SG-N 3.48Å; V61-Y67 CarbonylContact O-C 3.59Å; V61-Y67 WeakPolarHBondContact O-CA 3.38Å; V61-L68 HydrophobicContact CB-CB 4.33Å; V61-L68 PolarHBondContact N-O 3.16Å; V61-L68 PolarHBondContact O-N 3.08Å; V61-L70 HydrophobicContact CG2-CD1 3.81Å; V61-L70 HydrophobicContact CG2-CG 4.25Å; V61-I76 HydrophobicContact CG1-CD1 4.38Å; V61-I76 HydrophobicContact CG2-CD1 3.33Å; V61-I76 HydrophobicContact CG2-CG1 4.29Å |
| 62 | N | 76.3 | Confident | 75.4 | Confident | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 135.6 | 178.5 | -168.5 | 45 | 0 | 0 | 0 | 111 | D43 I44 D45 C47 G66 | D43-N62 PolarHBondContact OD2-ND2 3.34Å; I44-N62 PolarHBondContact O-OD1 2.98Å; D45-N62 WeakPolarHBondContact CA-OD1 3.27Å; C47-N62 PolarHBondContact SG-N 2.84Å; C47-N62 VanDerWaalsContact SG-N 3.41Å; N62-G66 PolarHBondContact OD1-O 2.86Å |
| 63 | H | 79.1 | Confident | 75.1 | Confident | 79 Ų | 79 | 67.1 Ų | 67.1 | 37% | 0.366 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.6 | -178.2 | -165.6 | 63.1 | 0 | 0 | 0 | 110.9 | G65 G66 L68 | H63-G65 PolarHBondContact O-N 2.95Å; H63-G66 CarbonylContact C-O 3.59Å; H63-G66 WeakPolarHBondContact CA-O 3.44Å; H63-G66 PolarHBondContact N-O 3.08Å; H63-G66 CarbonylContact O-C 3.59Å; H63-G66 PolarHBondContact O-N 2.81Å; H63-L68 HydrophobicContact CB-CD1 3.86Å; H63-L68 HydrophobicContact CB-CG 4.26Å |
| 64 | F | 73.6 | Confident | 74.7 | Confident | 162 Ų | 162 | 67.5 Ų | 67.5 | 71% | 0.711 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 114.2 | -176.6 | -67.9 | -74.9 | 0 | 0 | 0 | 112.1 | Y32 D43 | Y32-F64 VanDerWaalsContact OH-C 3.32Å; D43-F64 WeakPolarHBondContact OD1-CA 3.47Å |
| 65 | G | 66.9 | Low | 74 | Confident | 12 Ų | 12 | 72.5 Ų | 72.5 | 12% | 0.124 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 11.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y32 D43 H63 | Y32-G65 PolarHBondContact OH-N 3.5Å; Y32-G65 VanDerWaalsContact OH-N 3.13Å; D43-G65 PolarHBondContact OD1-N 2.87Å; H63-G65 PolarHBondContact O-N 2.95Å |
| 66 | G | 78 | Confident | 73.1 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 14% | 0.144 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.8 | -147 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E46 N62 H63 | E46-G66 VanDerWaalsContact OE2-CA 3.25Å; E46-G66 WeakPolarHBondContact OE2-CA 3.33Å; N62-G66 PolarHBondContact OD1-O 2.86Å; H63-G66 CarbonylContact C-O 3.59Å; H63-G66 WeakPolarHBondContact CA-O 3.44Å; H63-G66 PolarHBondContact N-O 3.08Å; H63-G66 CarbonylContact O-C 3.59Å; H63-G66 PolarHBondContact O-N 2.81Å |
| 67 | Y | 79.4 | Confident | 72.2 | Confident | 83 Ų | 83 | 71 Ų | 71 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 151.9 | -179.9 | 63.6 | -80.1 | 0 | 0 | 0 | 112.3 | E46 L50 A53 C60 V61 | E46-Y67 HydrophobicContact CB-CD1 3.39Å; E46-Y67 HydrophobicContact CB-CE1 3.94Å; E46-Y67 HydrophobicContact CB-CG 4.14Å; E46-Y67 HydrophobicContact CG-CD1 3.91Å; E46-Y67 HydrophobicContact CG-CE1 4.36Å; L50-Y67 HydrophobicContact CD1-CE1 4.07Å; A53-Y67 HydrophobicContact CB-CD2 4.1Å; A53-Y67 HydrophobicContact CB-CE2 3.83Å; A53-Y67 VanDerWaalsContact O-CE2 3.23Å; A53-Y67 WeakPolarHBondContact O-CE2 3.03Å; A53-Y67 PolarHBondContact O-OH 2.97Å; C60-Y67 WeakPolarHBondContact SG-CD2 3.39Å; V61-Y67 CarbonylContact O-C 3.59Å; V61-Y67 WeakPolarHBondContact O-CA 3.38Å |
| 68 | L | 75.8 | Confident | 71.1 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.4 | 176.1 | -77.1 | 151.8 | 0 | 0 | 0 | 109.8 | C60 V61 H63 L70 | C60-L68 CarbonylContact C-O 3.5Å; C60-L68 WeakPolarHBondContact CA-O 3.48Å; V61-L68 HydrophobicContact CB-CB 4.33Å; V61-L68 PolarHBondContact N-O 3.16Å; V61-L68 PolarHBondContact O-N 3.08Å; H63-L68 HydrophobicContact CB-CD1 3.86Å; H63-L68 HydrophobicContact CB-CG 4.26Å; L68-L70 HydrophobicContact CB-CG 4.46Å |
| 69 | C | 79.8 | Confident | 69.5 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 29% | 0.291 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 105.8 | 170.1 | -67.4 | 0 | 0 | 0 | 0 | 110.2 | C54 M58 | C54-C69 WeakPolarHBondContact CA-SG 3.47Å; C54-C69 HydrophobicContact CB-CB 3.75Å; C54-C69 WeakPolarHBondContact CB-SG 3.43Å; C54-C69 WeakPolarHBondContact SG-CA 3.35Å; C54-C69 WeakPolarHBondContact SG-CB 3.49Å; C54-C69 CovalentContact SG-SG 2.03Å; C54-C69 PolarHBondContact SG-SG 3.13Å; M58-C69 HydrophobicContact CB-CB 4.36Å; M58-C69 HydrophobicContact SD-CB 4.12Å |
| 70 | L | 76.1 | Confident | 67.6 | Low | 21 Ų | 21 | 77.2 Ų | 77.2 | 11% | 0.11 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 150.7 | -179.7 | -59.5 | -178.5 | 0 | 0 | 0 | 111 | M58 Q59 V61 L68 A74 I76 L239 | M58-L70 CarbonylContact C-O 3.22Å; M58-L70 WeakPolarHBondContact CA-O 3.3Å; M58-L70 WeakPolarHBondContact CB-O 3.34Å; Q59-L70 PolarHBondContact N-O 2.87Å; Q59-L70 PolarHBondContact O-N 2.63Å; V61-L70 HydrophobicContact CG2-CD1 3.81Å; V61-L70 HydrophobicContact CG2-CG 4.25Å; L68-L70 HydrophobicContact CB-CG 4.46Å; L70-A74 HydrophobicContact CB-CB 3.83Å; L70-A74 HydrophobicContact CD1-CB 4.18Å; L70-I76 HydrophobicContact CD1-CD1 4.24Å; L70-I76 HydrophobicContact CD1-CG1 3.9Å; L70-L239 HydrophobicContact CD2-CD2 3.77Å |
| 71 | P | 73.8 | Confident | 65.6 | Low | 60 Ų | 60 | 82.5 Ų | 82.5 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | trans | -55.5 | 144.4 | 166.1 | -21.1 | 31.8 | 0 | 0 | 0 | 110.4 | S73 A74 | P71-S73 PolarHBondContact O-N 3.04Å; P71-A74 WeakPolarHBondContact O-CB 3.48Å; P71-A74 PolarHBondContact O-N 2.72Å | ||
| 72 | K | 74.2 | Confident | 63.6 | Low | 154 Ų | 154 | 87.2 Ų | 87.2 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -16.9 | 175.7 | -77.3 | 178.4 | 177.7 | 178.3 | 0 | 114.4 | G57 Q59 | G57-K72 VanDerWaalsContact O-CD 3.31Å; G57-K72 WeakPolarHBondContact O-CD 3.48Å; G57-K72 WeakPolarHBondContact O-CE 3.34Å; G57-K72 WeakPolarHBondContact O-CG 3.24Å; Q59-K72 HydrophobicContact CB-CG 4.35Å |
| 73 | S | 65.8 | Low | 61.7 | Low | 106 Ų | 106 | 90.8 Ų | 90.8 | 74% | 0.741 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.1 | 175.2 | 54 | 0 | 0 | 0 | 0 | 113.8 | P71 I75 | P71-S73 PolarHBondContact O-N 3.04Å; S73-I75 PolarHBondContact O-N 3.22Å |
| 74 | A | 59 | Low | 59.9 | Low | 25 Ų | 25 | 92 Ų | 92 | 21% | 0.207 | 50% | 0.495 | C | S | . | . | trans | -70.1 | 126.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L70 P71 | L70-A74 HydrophobicContact CB-CB 3.83Å; L70-A74 HydrophobicContact CD1-CB 4.18Å; P71-A74 WeakPolarHBondContact O-CB 3.48Å; P71-A74 PolarHBondContact O-N 2.72Å | ||
| 75 | I | 58.4 | Low | 58.3 | Low | 121 Ų | 121 | 89.8 Ų | 89.8 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | trans | -89.1 | 111.2 | 175.5 | -59.1 | 175.2 | 0 | 0 | 0 | 107.4 | S73 Y77 | S73-I75 PolarHBondContact O-N 3.22Å; I75-Y77 HydrophobicContact CG2-CE1 4.49Å; I75-Y77 HydrophobicContact CG2-CE2 3.97Å | ||
| 76 | I | 55.7 | Low | 57.1 | Low | 66 Ų | 66 | 94.9 Ų | 94.9 | 34% | 0.338 | 53% | 0.528 | S | S | . | . | trans | -91.1 | 115.7 | -180 | -55.2 | 158.8 | 0 | 0 | 0 | 108.5 | V61 L70 V78 | V61-I76 HydrophobicContact CG1-CD1 4.38Å; V61-I76 HydrophobicContact CG2-CD1 3.33Å; V61-I76 HydrophobicContact CG2-CG1 4.29Å; L70-I76 HydrophobicContact CD1-CD1 4.24Å; L70-I76 HydrophobicContact CD1-CG1 3.9Å; I76-V78 HydrophobicContact CG2-CG2 4.14Å; I76-V78 PolarHBondContact O-N 2.84Å | ||
| 77 | Y | 49.8 | Very low | 55.3 | Low | 171 Ų | 171 | 99.7 Ų | 99.7 | 67% | 0.671 | 56% | 0.556 | S | S | * | * | trans | -88.7 | 102.2 | 166.3 | -63.5 | -82 | 0 | 0 | 0 | 108.2 | I75 T79 I235 | I75-Y77 HydrophobicContact CG2-CE1 4.49Å; I75-Y77 HydrophobicContact CG2-CE2 3.97Å; Y77-T79 PolarHBondContact O-N 3.29Å; Y77-I235 HydrophobicContact CE2-CD1 4.2Å | ||
| 78 | V | 43.8 | Very low | 53.4 | Low | 111 Ų | 111 | 101.4 Ų | 101.4 | 67% | 0.673 | 58% | 0.578 | S | S | * | * | trans | -73.5 | 97.5 | 168.3 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | I76 N80 | I76-V78 HydrophobicContact CG2-CG2 4.14Å; I76-V78 PolarHBondContact O-N 2.84Å; V78-N80 VanDerWaalsContact C-N 3.34Å; V78-N80 PolarHBondContact O-N 3.28Å | ||
| 79 | T | 45.1 | Very low | 51.5 | Low | 104 Ų | 104 | 109.5 Ų | 109.5 | 64% | 0.638 | 62% | 0.615 | S | S | * | * | trans | -69.8 | 99.4 | 163.5 | 50.2 | 0 | 0 | 0 | 0 | 106.5 | Y77 E81 | Y77-T79 PolarHBondContact O-N 3.29Å; T79-E81 PolarHBondContact O-N 2.89Å | ||
| 80 | N | 42.1 | Very low | 49.4 | Very low | 147 Ų | 147 | 116.2 Ų | 116.2 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | trans | -67.9 | 80 | 162 | -77.6 | -20.6 | 0 | 0 | 0 | 106.9 | V78 V82 | V78-N80 VanDerWaalsContact C-N 3.34Å; V78-N80 PolarHBondContact O-N 3.28Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 3.25Å | ||
| 81 | E | 41.3 | Very low | 47.6 | Very low | 143 Ų | 143 | 121.4 Ų | 121.4 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | trans | -73.5 | 92.6 | 173.1 | -62.6 | -146 | 164.6 | 0 | 0 | 108.9 | T79 | T79-E81 PolarHBondContact O-N 2.89Š| ||
| 82 | V | 41 | Very low | 45.8 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | trans | -102.2 | 101 | 137.1 | -179.7 | 0 | 0 | 0 | 0 | 104.4 | N80 P84 | N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 3.25Å; V82-P84 WeakPolarHBondContact O-CD 3.39Å; V82-P84 VanDerWaalsContact O-N 3.09Å | ||
| 83 | D | 37 | Very low | 44.1 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | trans | -49.2 | 116 | 173.6 | -82.4 | -44.4 | 0 | 0 | 0 | 110 | ||||
| 84 | P | 41.1 | Very low | 42.8 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 69% | 0.688 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 142.1 | 167.4 | 27.9 | -29.3 | 0 | 0 | 0 | 108.9 | V82 | V82-P84 WeakPolarHBondContact O-CD 3.39Å; V82-P84 VanDerWaalsContact O-N 3.09Å |
| 85 | P | 39.5 | Very low | 41.8 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.2 | 178 | 25.7 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 86 | P | 41.7 | Very low | 40.9 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 137.1 | -173.8 | 23.9 | -32.9 | 0 | 0 | 0 | 110.8 | ||
| 87 | P | 41.9 | Very low | 40.3 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 145.3 | 175.9 | 26.3 | -31.4 | 0 | 0 | 0 | 110.3 | E89 | P87-E89 PolarHBondContact O-N 3.32Š|
| 88 | P | 38.1 | Very low | 39.9 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 135 | 179.3 | 25.1 | -31.6 | 0 | 0 | 0 | 111 | Q90 | P88-Q90 PolarHBondContact O-N 3.2Š|
| 89 | E | 36.8 | Very low | 39.6 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 117.3 | 176.2 | -79.3 | 178.9 | 137 | 0 | 0 | 111.7 | P87 | P87-E89 PolarHBondContact O-N 3.32Š|
| 90 | Q | 35.9 | Very low | 39 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -95.7 | 110 | 164.6 | -69.1 | -158.1 | -9.9 | 0 | 0 | 109.5 | P88 Q92 | P88-Q90 PolarHBondContact O-N 3.2Å; Q90-Q92 PolarHBondContact O-N 2.83Å | ||
| 91 | V | 37.8 | Very low | 38.6 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -60.7 | 111.8 | 170.4 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | Q93 | V91-Q93 PolarHBondContact O-N 3.3Š| ||
| 92 | Q | 36.4 | Very low | 38.2 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 122.5 | 172.9 | -81.2 | 178.2 | -15.7 | 0 | 0 | 110.7 | Q90 | Q90-Q92 PolarHBondContact O-N 2.83Š|
| 93 | Q | 37.9 | Very low | 37.8 | Very low | 186 Ų | 186 | 141 Ų | 141 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 139.2 | 169.9 | -67.7 | -179.5 | -0 | 0 | 0 | 110.7 | V91 | V91-Q93 PolarHBondContact O-N 3.3Š|
| 94 | V | 37.9 | Very low | 37.7 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 139.2 | -179.2 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 95 | P | 39 | Very low | 37.3 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 131.7 | 177.1 | -12.8 | 27.6 | 0 | 0 | 0 | 112.7 | ||
| 96 | V | 39.9 | Very low | 37 | Very low | 140 Ų | 140 | 149 Ų | 149 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 126.9 | 170.6 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 97 | V | 41.3 | Very low | 36.8 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 133.6 | 176.7 | 178 | 0 | 0 | 0 | 0 | 110.9 | ||
| 98 | P | 43.4 | Very low | 36.4 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -90 | 144.8 | 168.7 | 29.1 | -23 | 0 | 0 | 0 | 112.2 | ||
| 99 | P | 36.4 | Very low | 36.2 | Very low | 126 Ų | 126 | 151 Ų | 151 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 149.8 | -178.5 | 33.5 | -32.6 | 0 | 0 | 0 | 114.3 | ||
| 100 | N | 32.8 | Very low | 36.2 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -43.1 | 141.8 | 168.5 | -86.2 | -27.6 | 0 | 0 | 0 | 115.4 | ||||
| 101 | Q | 34.3 | Very low | 36.2 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -140.6 | 126 | 139.4 | -70.9 | -165.2 | 1.4 | 0 | 0 | 110.7 | ||||
| 102 | G | 31.1 | Very low | 36.1 | Very low | 78 Ų | 78 | 150.8 Ų | 150.8 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -85.9 | 161.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 103 | H | 34.2 | Very low | 36.2 | Very low | 190 Ų | 190 | 148 Ų | 148 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | -137.9 | 117.4 | 166.6 | -139.1 | -45 | 0 | 0 | 0 | 110.8 | ||||
| 104 | H | 34.1 | Very low | 36.1 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -80 | 139.1 | 168.5 | -113.7 | -66 | 0 | 0 | 0 | 109.8 | ||||
| 105 | T | 32.8 | Very low | 36 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -146.6 | 144.3 | 144 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 106 | R | 33.3 | Very low | 36.1 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -117.9 | 132.6 | -168.4 | 179.7 | -174.6 | -172.4 | -174.9 | 3.4 | 107.5 | ||||
| 107 | H | 36.5 | Very low | 36.6 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -132.1 | 119.4 | 161.3 | -95.4 | -68 | 0 | 0 | 0 | 110.3 | ||||
| 108 | T | 34.7 | Very low | 37.2 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -116 | 133 | 170.5 | 45.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 109 | G | 33.5 | Very low | 37.9 | Very low | 84 Ų | 84 | 144.8 Ų | 144.8 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -148.4 | 112.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 110 | G | 36.3 | Very low | 39.5 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -105 | 157 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 111 | H | 36.2 | Very low | 41.6 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | trans | -155 | 131.4 | 150.5 | -107.2 | -71.1 | 0 | 0 | 0 | 109.9 | ||||
| 112 | R | 35.9 | Very low | 43.8 | Very low | 232 Ų | 232 | 138 Ų | 138 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | -108.2 | 151.9 | 174.4 | -155.4 | -178.9 | -170.2 | -156.1 | 3.1 | 106.5 | ||||
| 113 | V | 39 | Very low | 46.3 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | 169.4 | 142.6 | 128.2 | 158.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 114 | S | 34.5 | Very low | 48.6 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 77.7 | 118 | 153 | 63.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 115 | Q | 37.4 | Very low | 50.9 | Low | 173 Ų | 173 | 128.7 Ų | 128.7 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | trans | -68.3 | 139.5 | 163.7 | -66.8 | 172.7 | -45.7 | 0 | 0 | 112 | ||||
| 116 | A | 40.5 | Very low | 53.5 | Low | 71 Ų | 71 | 124.2 Ų | 124.2 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | trans | -128.3 | 125.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q118 | A116-Q118 PolarHBondContact O-N 2.75Š| ||
| 117 | S | 49.7 | Very low | 56 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | trans | -72.1 | 69.5 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 118 | Q | 55.5 | Low | 58.2 | Low | 143 Ų | 143 | 110.7 Ų | 110.7 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | trans | -78.6 | 134.7 | 150 | -72.1 | 173.6 | -3.2 | 0 | 0 | 105.8 | A116 I120 | A116-Q118 PolarHBondContact O-N 2.75Å; Q118-I120 PolarHBondContact O-N 3.5Å | ||
| 119 | T | 58 | Low | 60.3 | Low | 137 Ų | 137 | 106.5 Ų | 106.5 | 84% | 0.84 | 61% | 0.612 | S | S | * | * | trans | -59.4 | 95.5 | 162.8 | -3.5 | 0 | 0 | 0 | 0 | 106 | R121 | T119-R121 PolarHBondContact O-N 3.38Å; T119-R121 VanDerWaalsContact O-N 3.12Å | ||
| 120 | I | 69.2 | Low | 62.5 | Low | 65 Ų | 65 | 111.5 Ų | 111.5 | 33% | 0.333 | 61% | 0.613 | S | S | . | * | trans | -65.9 | 117 | -172 | -99.3 | 168.7 | 0 | 0 | 0 | 106.5 | Q118 C122 N132 C134 | Q118-I120 PolarHBondContact O-N 3.5Å; I120-C122 VanDerWaalsContact CG2-SG 3.56Å; I120-C122 PolarHBondContact O-N 2.03Å; I120-N132 HydrophobicContact CD1-CB 4.3Å; I120-N132 WeakPolarHBondContact CD1-O 3.19Å; I120-C134 WeakPolarHBondContact CG2-SG 3.31Å | ||
| 121 | R | 77.1 | Confident | 64.6 | Low | 246 Ų | 246 | 112.7 Ų | 112.7 | 93% | 0.928 | 60% | 0.601 | S | S | * | * | trans | -80.9 | 99.6 | 169.2 | -79.9 | -173.5 | 171 | 176.8 | -2.4 | 106.8 | T119 | T119-R121 PolarHBondContact O-N 3.38Å; T119-R121 VanDerWaalsContact O-N 3.12Å | ||
| 122 | C | 80.1 | Confident | 66.6 | Low | 30 Ų | 30 | 105.4 Ų | 105.4 | 20% | 0.203 | 57% | 0.569 | C | S | . | * | P | Polyproline II helix | trans | -66.9 | 146.1 | 172.8 | -64 | 0 | 0 | 0 | 0 | 110.5 | I120 F126 C134 | I120-C122 VanDerWaalsContact CG2-SG 3.56Å; I120-C122 PolarHBondContact O-N 2.03Å; C122-F126 HydrophobicContact CB-CB 3.73Å; C122-F126 VanDerWaalsContact CB-O 3.28Å; C122-F126 WeakPolarHBondContact CB-O 3.41Å; C122-C134 WeakPolarHBondContact CA-SG 2.97Å; C122-C134 HydrophobicContact CB-CB 3.87Å; C122-C134 WeakPolarHBondContact CB-SG 3.39Å; C122-C134 WeakPolarHBondContact SG-CA 3.17Å; C122-C134 WeakPolarHBondContact SG-CB 3.06Å; C122-C134 CovalentContact SG-SG 2.04Å; C122-C134 PolarHBondContact SG-SG 2.77Å |
| 123 | S | 84.2 | Confident | 68.8 | Low | 91 Ų | 91 | 99 Ų | 99 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 156.4 | 170.4 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | G125 F126 | S123-G125 PolarHBondContact O-N 2.72Å; S123-F126 WeakPolarHBondContact O-CB 3.44Å; S123-F126 PolarHBondContact O-N 3.34Å |
| 124 | T | 83.3 | Confident | 71 | Confident | 143 Ų | 143 | 95 Ų | 95 | 88% | 0.877 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 134.1 | 174.7 | -46.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 125 | G | 81.8 | Confident | 73.5 | Confident | 13 Ų | 13 | 96.2 Ų | 96.2 | 13% | 0.134 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 1.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | S123 I137 | S123-G125 PolarHBondContact O-N 2.72Å; G125-I137 PolarHBondContact O-N 3.1Å |
| 126 | F | 87.5 | Confident | 76 | Confident | 41 Ų | 41 | 90 Ų | 90 | 18% | 0.18 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.2 | 177.9 | -65.3 | -99.2 | 0 | 0 | 0 | 111.6 | C122 S123 C134 R135 D136 R157 | C122-F126 HydrophobicContact CB-CB 3.73Å; C122-F126 VanDerWaalsContact CB-O 3.28Å; C122-F126 WeakPolarHBondContact CB-O 3.41Å; S123-F126 WeakPolarHBondContact O-CB 3.44Å; S123-F126 PolarHBondContact O-N 3.34Å; F126-C134 HydrophobicContact CB-CB 4.14Å; F126-C134 HydrophobicContact CD1-CB 4.45Å; F126-R135 CarbonylContact C-O 3.43Å; F126-R135 WeakPolarHBondContact CA-O 3.36Å; F126-R135 WeakPolarHBondContact CB-O 3.47Å; F126-D136 HydrophobicContact CD1-CB 4.38Å; F126-D136 HydrophobicContact CE1-CB 4.22Å; F126-R157 HydrophobicContact CE1-CG 4.06Å; F126-R157 HydrophobicContact CZ-CG 3.71Å |
| 127 | T | 85.8 | Confident | 78.3 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146 | 174.3 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | R135 I137 | T127-R135 PolarHBondContact N-O 3Å; T127-R135 PolarHBondContact O-N 2.85Å; T127-I137 HydrophobicContact CG2-CG1 3.98Å |
| 128 | A | 82 | Confident | 80.2 | Confident | 40 Ų | 40 | 86.9 Ų | 86.9 | 33% | 0.331 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 125.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 129 | D | 79.7 | Confident | 82 | Confident | 27 Ų | 27 | 80.8 Ų | 80.8 | 14% | 0.144 | 42% | 0.424 | C | S | . | . | trans | -75.5 | 176.8 | 172.1 | 71 | 10.5 | 0 | 0 | 0 | 112.2 | Q131 N132 I133 R135 | D129-Q131 PolarHBondContact O-N 3.11Å; D129-Q131 WeakPolarHBondContact OD1-CA 3.21Å; D129-Q131 WeakPolarHBondContact OD1-CB 3Å; D129-Q131 PolarHBondContact OD1-N 3.46Å; D129-Q131 PolarHBondContact OD2-OE1 3.15Å; D129-N132 PolarHBondContact O-N 2.93Å; D129-N132 PolarHBondContact OD1-N 3.47Å; D129-I133 PolarHBondContact N-O 2.6Å; D129-I133 WeakPolarHBondContact OD1-CB 3.5Å; D129-I133 PolarHBondContact OD1-N 2.75Å; D129-R135 HydrophobicContact CB-CG 4.24Å; D129-R135 IonicContact OD2-CZ 3.59Å; D129-R135 IonicContact OD2-NE 3.16Å; D129-R135 PolarHBondContact OD2-NE 2.85Å; D129-R135 IonicContact OD2-NH2 2.72Å; D129-R135 PolarHBondContact OD2-NH2 2.96Å | ||
| 130 | E | 78.1 | Confident | 83.6 | Confident | 189 Ų | 189 | 76 Ų | 76 | 88% | 0.883 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -13.1 | 178.6 | -63.8 | -178.9 | 173.7 | 0 | 0 | 113.9 | ||
| 131 | Q | 80.8 | Confident | 84.5 | Confident | 92 Ų | 92 | 76.8 Ų | 76.8 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 11.5 | 176.9 | -63.2 | 82.8 | 40.2 | 0 | 0 | 113.1 | D129 I133 | D129-Q131 PolarHBondContact O-N 3.11Å; D129-Q131 WeakPolarHBondContact OD1-CA 3.21Å; D129-Q131 WeakPolarHBondContact OD1-CB 3Å; D129-Q131 PolarHBondContact OD1-N 3.46Å; D129-Q131 PolarHBondContact OD2-OE1 3.15Å; Q131-I133 VanDerWaalsContact C-N 3.26Å; Q131-I133 HydrophobicContact CB-CD1 4.12Å; Q131-I133 HydrophobicContact CB-CG1 4.29Å; Q131-I133 PolarHBondContact O-N 2.93Å |
| 132 | N | 77.9 | Confident | 85 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 28% | 0.278 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 58.9 | 32 | -173.2 | -76.2 | -45 | 0 | 0 | 0 | 113.2 | I120 D129 | I120-N132 HydrophobicContact CD1-CB 4.3Å; I120-N132 WeakPolarHBondContact CD1-O 3.19Å; D129-N132 PolarHBondContact O-N 2.93Å; D129-N132 PolarHBondContact OD1-N 3.47Å |
| 133 | I | 82.8 | Confident | 85.1 | Confident | 97 Ų | 97 | 69.8 Ų | 69.8 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | trans | -102.2 | 129 | 175.4 | -59.5 | 170.2 | 0 | 0 | 0 | 108.4 | D129 Q131 R135 | D129-I133 PolarHBondContact N-O 2.6Å; D129-I133 WeakPolarHBondContact OD1-CB 3.5Å; D129-I133 PolarHBondContact OD1-N 2.75Å; Q131-I133 VanDerWaalsContact C-N 3.26Å; Q131-I133 HydrophobicContact CB-CD1 4.12Å; Q131-I133 HydrophobicContact CB-CG1 4.29Å; Q131-I133 PolarHBondContact O-N 2.93Å; I133-R135 PolarHBondContact O-N 3.38Å; I133-R135 VanDerWaalsContact O-N 3.08Å | ||
| 134 | C | 85.8 | Confident | 85.2 | Confident | 45 Ų | 45 | 71.2 Ų | 71.2 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 107.9 | 175.2 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | I120 C122 F126 | I120-C134 WeakPolarHBondContact CG2-SG 3.31Å; C122-C134 WeakPolarHBondContact CA-SG 2.97Å; C122-C134 HydrophobicContact CB-CB 3.87Å; C122-C134 WeakPolarHBondContact CB-SG 3.39Å; C122-C134 WeakPolarHBondContact SG-CA 3.17Å; C122-C134 WeakPolarHBondContact SG-CB 3.06Å; C122-C134 CovalentContact SG-SG 2.04Å; C122-C134 PolarHBondContact SG-SG 2.77Å; F126-C134 HydrophobicContact CB-CB 4.14Å; F126-C134 HydrophobicContact CD1-CB 4.45Å |
| 135 | R | 86.6 | Confident | 85.3 | Confident | 138 Ų | 138 | 67.6 Ų | 67.6 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 147.6 | 169.3 | -64 | -162 | -173.5 | -179.5 | 10.5 | 109.7 | F126 T127 D129 I133 | F126-R135 CarbonylContact C-O 3.43Å; F126-R135 WeakPolarHBondContact CA-O 3.36Å; F126-R135 WeakPolarHBondContact CB-O 3.47Å; T127-R135 PolarHBondContact N-O 3Å; T127-R135 PolarHBondContact O-N 2.85Å; D129-R135 HydrophobicContact CB-CG 4.24Å; D129-R135 IonicContact OD2-CZ 3.59Å; D129-R135 IonicContact OD2-NE 3.16Å; D129-R135 PolarHBondContact OD2-NE 2.85Å; D129-R135 IonicContact OD2-NH2 2.72Å; D129-R135 PolarHBondContact OD2-NH2 2.96Å; I133-R135 PolarHBondContact O-N 3.38Å; I133-R135 VanDerWaalsContact O-N 3.08Å |
| 136 | D | 89.8 | Confident | 85.5 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 23% | 0.225 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 136.1 | 172.5 | -166.9 | 52.4 | 0 | 0 | 0 | 110.2 | F126 D138 N155 R157 G158 | F126-D136 HydrophobicContact CD1-CB 4.38Å; F126-D136 HydrophobicContact CE1-CB 4.22Å; D136-D138 PolarHBondContact O-N 2.85Å; D136-N155 PolarHBondContact OD2-ND2 3.12Å; D136-N155 PolarHBondContact OD2-OD1 2.72Å; D136-R157 WeakPolarHBondContact OD1-CA 3.44Å; D136-G158 PolarHBondContact OD1-N 2.81Å |
| 137 | I | 89.9 | Confident | 85.5 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 120.9 | 169.9 | -64 | 171.1 | 0 | 0 | 0 | 106 | G125 T127 E139 N155 | G125-I137 PolarHBondContact O-N 3.1Å; T127-I137 HydrophobicContact CG2-CG1 3.98Å; I137-E139 HydrophobicContact CG2-CG 4.14Å; I137-E139 PolarHBondContact O-N 3.49Å; I137-N155 PolarHBondContact O-OD1 3.42Å |
| 138 | D | 89.4 | Confident | 85.4 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 36% | 0.358 | 38% | 0.383 | S | S | . | . | trans | -79.1 | 90.8 | 169.6 | -170.1 | -27 | 0 | 0 | 0 | 108.7 | D136 C140 A141 T142 | D136-D138 PolarHBondContact O-N 2.85Å; D138-C140 PolarHBondContact O-N 3.47Å; D138-C140 WeakPolarHBondContact OD1-CB 3.39Å; D138-C140 PolarHBondContact OD1-N 2.95Å; D138-C140 VanDerWaalsContact OD1-N 3.14Å; D138-A141 HydrophobicContact CB-CB 3.94Å; D138-A141 VanDerWaalsContact CG-CB 3.49Å; D138-A141 PolarHBondContact O-N 2.91Å; D138-A141 PolarHBondContact OD1-N 3.27Å; D138-T142 WeakPolarHBondContact O-CB 3.44Å; D138-T142 VanDerWaalsContact O-CG2 3.29Å; D138-T142 WeakPolarHBondContact O-CG2 3.46Å; D138-T142 PolarHBondContact O-N 2.9Å; D138-T142 PolarHBondContact O-OG1 2.85Å | ||
| 139 | E | 92.3 | Very high | 85.5 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 7% | 0.07 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.5 | -27.4 | -178.5 | -60.5 | 93.1 | 164.9 | 0 | 0 | 111.9 | I137 T142 G143 I144 H145 N155 S159 F160 | I137-E139 HydrophobicContact CG2-CG 4.14Å; I137-E139 PolarHBondContact O-N 3.49Å; E139-T142 WeakPolarHBondContact CA-OG1 3.48Å; E139-T142 PolarHBondContact O-OG1 3.38Å; E139-G143 PolarHBondContact O-N 2.79Å; E139-I144 WeakPolarHBondContact CB-O 3.42Å; E139-I144 PolarHBondContact O-N 2.84Å; E139-H145 HydrophobicContact CB-CB 4.32Å; E139-H145 PolarHBondContact O-CD2 2.6Å; E139-N155 PolarHBondContact OE2-OD1 2.89Å; E139-S159 WeakPolarHBondContact OE1-CA 3.48Å; E139-F160 HydrophobicContact CB-CB 4.02Å; E139-F160 HydrophobicContact CB-CD1 3.71Å; E139-F160 HydrophobicContact CB-CG 4.03Å; E139-F160 HydrophobicContact CG-CB 4.47Å; E139-F160 HydrophobicContact CG-CD1 3.66Å; E139-F160 HydrophobicContact CG-CE1 4.4Å; E139-F160 HydrophobicContact CG-CG 4.4Å; E139-F160 PolarHBondContact OE2-N 3.12Å |
| 140 | C | 90.8 | Very high | 85.7 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 25% | 0.25 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72.5 | -42.3 | 177.8 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | D138 C153 Y154 N155 | D138-C140 PolarHBondContact O-N 3.47Å; D138-C140 WeakPolarHBondContact OD1-CB 3.39Å; D138-C140 PolarHBondContact OD1-N 2.95Å; D138-C140 VanDerWaalsContact OD1-N 3.14Å; C140-C153 WeakPolarHBondContact CA-SG 3.3Å; C140-C153 HydrophobicContact CB-CB 3.78Å; C140-C153 WeakPolarHBondContact CB-SG 3.37Å; C140-C153 WeakPolarHBondContact SG-CB 3.39Å; C140-C153 PolarHBondContact SG-O 2.72Å; C140-C153 CovalentContact SG-SG 2.04Å; C140-C153 PolarHBondContact SG-SG 2.8Å; C140-Y154 VanDerWaalsContact SG-C 3.5Å; C140-Y154 PolarHBondContact SG-N 2.93Å; C140-N155 PolarHBondContact SG-N 3.13Å |
| 141 | A | 88.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 67% | 0.669 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74.3 | -29.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D138 | D138-A141 HydrophobicContact CB-CB 3.94Å; D138-A141 VanDerWaalsContact CG-CB 3.49Å; D138-A141 PolarHBondContact O-N 2.91Å; D138-A141 PolarHBondContact OD1-N 3.27Å |
| 142 | T | 87.1 | Confident | 86.7 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -88 | -12.8 | -179.1 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | D138 E139 I144 | D138-T142 WeakPolarHBondContact O-CB 3.44Å; D138-T142 VanDerWaalsContact O-CG2 3.29Å; D138-T142 WeakPolarHBondContact O-CG2 3.46Å; D138-T142 PolarHBondContact O-N 2.9Å; D138-T142 PolarHBondContact O-OG1 2.85Å; E139-T142 WeakPolarHBondContact CA-OG1 3.48Å; E139-T142 PolarHBondContact O-OG1 3.38Å; T142-I144 PolarHBondContact O-N 2.88Å |
| 143 | G | 83.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 52% | 0.515 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 14.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E139 H145 | E139-G143 PolarHBondContact O-N 2.79Å; G143-H145 VanDerWaalsContact C-N 3.26Å; G143-H145 PolarHBondContact O-N 2.95Å |
| 144 | I | 85.8 | Confident | 87.8 | Confident | 121 Ų | 121 | 66.3 Ų | 66.3 | 62% | 0.621 | 38% | 0.382 | S | S | * | . | trans | -94.6 | 53.2 | -178.7 | -47.9 | 176.7 | 0 | 0 | 0 | 109.2 | E139 T142 | E139-I144 WeakPolarHBondContact CB-O 3.42Å; E139-I144 PolarHBondContact O-N 2.84Å; T142-I144 PolarHBondContact O-N 2.88Å | ||
| 145 | H | 85.7 | Confident | 88 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | trans | -128.2 | 151.2 | 179.7 | 61.8 | 68 | 0 | 0 | 0 | 111.2 | E139 G143 C147 F160 | E139-H145 HydrophobicContact CB-CB 4.32Å; E139-H145 PolarHBondContact O-CD2 2.6Å; G143-H145 VanDerWaalsContact C-N 3.26Å; G143-H145 PolarHBondContact O-N 2.95Å; H145-C147 VanDerWaalsContact C-N 3.33Å; H145-C147 PolarHBondContact ND1-N 3.21Å; H145-F160 HydrophobicContact CB-CD1 4.4Å; H145-F160 HydrophobicContact CB-CD2 3.74Å; H145-F160 HydrophobicContact CB-CE1 4.37Å; H145-F160 HydrophobicContact CB-CE2 3.7Å; H145-F160 HydrophobicContact CB-CG 4.11Å; H145-F160 HydrophobicContact CB-CZ 4.04Å | ||
| 146 | S | 86.4 | Confident | 88.2 | Confident | 98 Ų | 98 | 62.9 Ų | 62.9 | 69% | 0.685 | 37% | 0.373 | S | S | * | . | trans | -95.9 | 23.7 | 175.6 | -51.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 147 | C | 86.2 | Confident | 88.3 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 13% | 0.128 | 40% | 0.4 | C | S | . | . | trans | -66 | 136.6 | 175.1 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | H145 Q151 C153 C162 | H145-C147 VanDerWaalsContact C-N 3.33Å; H145-C147 PolarHBondContact ND1-N 3.21Å; C147-Q151 HydrophobicContact CB-CB 4.22Å; C147-C153 VanDerWaalsContact SG-CB 3.6Å; C147-C162 WeakPolarHBondContact CA-SG 3.37Å; C147-C162 HydrophobicContact CB-CB 3.76Å; C147-C162 WeakPolarHBondContact CB-SG 3.29Å; C147-C162 WeakPolarHBondContact SG-CB 3.5Å; C147-C162 CovalentContact SG-SG 2.02Å; C147-C162 PolarHBondContact SG-SG 2.77Å | ||
| 148 | G | 85.1 | Confident | 88.2 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 9% | 0.093 | 40% | 0.399 | C | S | . | . | trans | -67.5 | 166.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | E150 Q151 D173 | G148-E150 PolarHBondContact O-N 3.44Å; G148-Q151 VanDerWaalsContact N-OE1 3.13Å; G148-Q151 WeakPolarHBondContact O-CB 3.49Å; G148-Q151 PolarHBondContact O-N 2.84Å; G148-Q151 VanDerWaalsContact O-N 3.09Å; G148-D173 WeakPolarHBondContact CA-O 3.1Å | ||
| 149 | P | 82.9 | Confident | 88.2 | Confident | 134 Ų | 134 | 69 Ų | 69 | 87% | 0.87 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.7 | -172 | 25.3 | -34.4 | 0 | 0 | 0 | 114.5 | ||
| 150 | E | 84.7 | Confident | 88.2 | Confident | 122 Ų | 122 | 70.8 Ų | 70.8 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 4.8 | 179.9 | -62.4 | 178 | 171.6 | 0 | 0 | 112.9 | G148 P165 | G148-E150 PolarHBondContact O-N 3.44Å; E150-P165 WeakPolarHBondContact O-CD 3.39Å |
| 151 | Q | 88.6 | Confident | 88.1 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 8% | 0.079 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 140.5 | -175.7 | -62.9 | 173.9 | 7 | 0 | 0 | 111.1 | C147 G148 C162 Q163 R170 D173 C175 | C147-Q151 HydrophobicContact CB-CB 4.22Å; G148-Q151 VanDerWaalsContact N-OE1 3.13Å; G148-Q151 WeakPolarHBondContact O-CB 3.49Å; G148-Q151 PolarHBondContact O-N 2.84Å; G148-Q151 VanDerWaalsContact O-N 3.09Å; Q151-C162 HydrophobicContact CB-CB 4.32Å; Q151-Q163 WeakPolarHBondContact CA-O 3.38Å; Q151-R170 VanDerWaalsContact CD-NH1 3.26Å; Q151-R170 VanDerWaalsContact OE1-CZ 3.27Å; Q151-D173 PolarHBondContact NE2-O 3Å; Q151-C175 WeakPolarHBondContact CG-SG 3.43Å |
| 152 | T | 90.7 | Very high | 88.2 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.9 | 172.1 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | Y154 C162 Q163 | T152-Y154 HydrophobicContact CG2-CD2 4.31Å; T152-Y154 HydrophobicContact CG2-CE1 4.36Å; T152-Y154 HydrophobicContact CG2-CE2 3.62Å; T152-Y154 WeakPolarHBondContact O-CD2 3.28Å; T152-C162 WeakPolarHBondContact O-CA 3.36Å; T152-Q163 PolarHBondContact N-O 3.34Å; T152-Q163 PolarHBondContact O-N 2.83Å |
| 153 | C | 91.3 | Very high | 88.3 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 130 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | C140 C147 | C140-C153 WeakPolarHBondContact CA-SG 3.3Å; C140-C153 HydrophobicContact CB-CB 3.78Å; C140-C153 WeakPolarHBondContact CB-SG 3.37Å; C140-C153 WeakPolarHBondContact SG-CB 3.39Å; C140-C153 PolarHBondContact SG-O 2.72Å; C140-C153 CovalentContact SG-SG 2.04Å; C140-C153 PolarHBondContact SG-SG 2.8Å; C147-C153 VanDerWaalsContact SG-CB 3.6Å |
| 154 | Y | 92.4 | Very high | 88.7 | Confident | 108 Ų | 108 | 68.3 Ų | 68.3 | 42% | 0.424 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.9 | 171.7 | -64.7 | -87.7 | 0 | 0 | 0 | 109.1 | C140 T152 T161 Q163 | C140-Y154 VanDerWaalsContact SG-C 3.5Å; C140-Y154 PolarHBondContact SG-N 2.93Å; T152-Y154 HydrophobicContact CG2-CD2 4.31Å; T152-Y154 HydrophobicContact CG2-CE1 4.36Å; T152-Y154 HydrophobicContact CG2-CE2 3.62Å; T152-Y154 WeakPolarHBondContact O-CD2 3.28Å; Y154-T161 PolarHBondContact N-O 2.82Å; Y154-T161 PolarHBondContact O-N 2.77Å; Y154-Q163 HydrophobicContact CD2-CB 4.11Å; Y154-Q163 HydrophobicContact CD2-CG 3.79Å; Y154-Q163 HydrophobicContact CE2-CB 3.81Å; Y154-Q163 HydrophobicContact CE2-CG 3.92Å |
| 155 | N | 91.3 | Very high | 88.9 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 28% | 0.283 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 136.3 | 176.5 | -178.4 | 31.8 | 0 | 0 | 0 | 110 | D136 I137 E139 C140 S159 | D136-N155 PolarHBondContact OD2-ND2 3.12Å; D136-N155 PolarHBondContact OD2-OD1 2.72Å; I137-N155 PolarHBondContact O-OD1 3.42Å; E139-N155 PolarHBondContact OE2-OD1 2.89Å; C140-N155 PolarHBondContact SG-N 3.13Å; N155-S159 PolarHBondContact OD1-O 2.98Å |
| 156 | T | 90.9 | Very high | 89 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 36% | 0.362 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 159.8 | 176 | 62.5 | 0 | 0 | 0 | 0 | 109.6 | G158 S159 T161 | T156-G158 PolarHBondContact O-N 2.04Å; T156-S159 CarbonylContact C-O 3.51Å; T156-S159 WeakPolarHBondContact CA-O 3.44Å; T156-S159 WeakPolarHBondContact CB-O 3.43Å; T156-S159 PolarHBondContact N-O 3.35Å; T156-S159 CarbonylContact O-C 3.58Å; T156-S159 PolarHBondContact O-N 3.49Å; T156-S159 VanDerWaalsContact O-N 3.16Å; T156-S159 VanDerWaalsContact OG1-C 3.27Å; T156-S159 PolarHBondContact OG1-O 2.84Å; T156-T161 HydrophobicContact CG2-CG2 3.94Å |
| 157 | R | 90.8 | Very high | 89 | Confident | 206 Ų | 206 | 66.8 Ų | 66.8 | 78% | 0.777 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 109 | -178.2 | -176.3 | 175.2 | 175 | 86.3 | 3.7 | 111 | F126 D136 | F126-R157 HydrophobicContact CE1-CG 4.06Å; F126-R157 HydrophobicContact CZ-CG 3.71Å; D136-R157 WeakPolarHBondContact OD1-CA 3.44Å |
| 158 | G | 87.6 | Confident | 89.3 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 8.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D136 T156 | D136-G158 PolarHBondContact OD1-N 2.81Å; T156-G158 PolarHBondContact O-N 2.04Å |
| 159 | S | 90.6 | Very high | 89.5 | Confident | 57 Ų | 57 | 73.1 Ų | 73.1 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 174.7 | -179.1 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | E139 N155 T156 | E139-S159 WeakPolarHBondContact OE1-CA 3.48Å; N155-S159 PolarHBondContact OD1-O 2.98Å; T156-S159 CarbonylContact C-O 3.51Å; T156-S159 WeakPolarHBondContact CA-O 3.44Å; T156-S159 WeakPolarHBondContact CB-O 3.43Å; T156-S159 PolarHBondContact N-O 3.35Å; T156-S159 CarbonylContact O-C 3.58Å; T156-S159 PolarHBondContact O-N 3.49Å; T156-S159 VanDerWaalsContact O-N 3.16Å; T156-S159 VanDerWaalsContact OG1-C 3.27Å; T156-S159 PolarHBondContact OG1-O 2.84Å |
| 160 | F | 90.4 | Very high | 89.7 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 24% | 0.237 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 162.7 | 164.5 | 61.5 | -76.6 | 0 | 0 | 0 | 111.2 | E139 H145 C162 | E139-F160 HydrophobicContact CB-CB 4.02Å; E139-F160 HydrophobicContact CB-CD1 3.71Å; E139-F160 HydrophobicContact CB-CG 4.03Å; E139-F160 HydrophobicContact CG-CB 4.47Å; E139-F160 HydrophobicContact CG-CD1 3.66Å; E139-F160 HydrophobicContact CG-CE1 4.4Å; E139-F160 HydrophobicContact CG-CG 4.4Å; E139-F160 PolarHBondContact OE2-N 3.12Å; H145-F160 HydrophobicContact CB-CD1 4.4Å; H145-F160 HydrophobicContact CB-CD2 3.74Å; H145-F160 HydrophobicContact CB-CE1 4.37Å; H145-F160 HydrophobicContact CB-CE2 3.7Å; H145-F160 HydrophobicContact CB-CG 4.11Å; H145-F160 HydrophobicContact CB-CZ 4.04Å; F160-C162 VanDerWaalsContact CD2-SG 3.59Å; F160-C162 WeakPolarHBondContact CE2-SG 3.42Å |
| 161 | T | 89.9 | Confident | 89.9 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.6 | 164.1 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | Y154 T156 | Y154-T161 PolarHBondContact N-O 2.82Å; Y154-T161 PolarHBondContact O-N 2.77Å; T156-T161 HydrophobicContact CG2-CG2 3.94Å |
| 162 | C | 90 | Very high | 89.7 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 11% | 0.108 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.5 | 175.4 | -51.8 | 0 | 0 | 0 | 0 | 107.8 | C147 Q151 T152 F160 R170 | C147-C162 WeakPolarHBondContact CA-SG 3.37Å; C147-C162 HydrophobicContact CB-CB 3.76Å; C147-C162 WeakPolarHBondContact CB-SG 3.29Å; C147-C162 WeakPolarHBondContact SG-CB 3.5Å; C147-C162 CovalentContact SG-SG 2.02Å; C147-C162 PolarHBondContact SG-SG 2.77Å; Q151-C162 HydrophobicContact CB-CB 4.32Å; T152-C162 WeakPolarHBondContact O-CA 3.36Å; F160-C162 VanDerWaalsContact CD2-SG 3.59Å; F160-C162 WeakPolarHBondContact CE2-SG 3.42Å; C162-R170 PolarHBondContact O-NH2 3.03Å |
| 163 | Q | 90.7 | Very high | 89.3 | Confident | 95 Ų | 95 | 74 Ų | 74 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.7 | 176.9 | -56.7 | -179.1 | -4 | 0 | 0 | 110.6 | Q151 T152 Y154 | Q151-Q163 WeakPolarHBondContact CA-O 3.38Å; T152-Q163 PolarHBondContact N-O 3.34Å; T152-Q163 PolarHBondContact O-N 2.83Å; Y154-Q163 HydrophobicContact CD2-CB 4.11Å; Y154-Q163 HydrophobicContact CD2-CG 3.79Å; Y154-Q163 HydrophobicContact CE2-CB 3.81Å; Y154-Q163 HydrophobicContact CE2-CG 3.92Å |
| 164 | C | 91.6 | Very high | 89 | Confident | 26 Ų | 26 | 76.4 Ų | 76.4 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 159.8 | 170.4 | -73.6 | 0 | 0 | 0 | 0 | 110.5 | C175 | C164-C175 WeakPolarHBondContact CA-SG 3.38Å; C164-C175 HydrophobicContact CB-CB 3.79Å; C164-C175 WeakPolarHBondContact CB-SG 3.44Å; C164-C175 WeakPolarHBondContact SG-CA 3.06Å; C164-C175 WeakPolarHBondContact SG-CB 3.27Å; C164-C175 CovalentContact SG-SG 2.05Å; C164-C175 PolarHBondContact SG-SG 2.89Å |
| 165 | P | 89.1 | Confident | 88.9 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 157.6 | 170.5 | -23.9 | 34.5 | 0 | 0 | 0 | 112.1 | E150 G167 Y168 | E150-P165 WeakPolarHBondContact O-CD 3.39Å; P165-G167 PolarHBondContact O-N 3.05Å; P165-Y168 HydrophobicContact CB-CD2 3.97Å; P165-Y168 HydrophobicContact CB-CE2 4.43Å; P165-Y168 WeakPolarHBondContact O-CB 3.47Å; P165-Y168 PolarHBondContact O-N 3.12Å; P165-Y168 VanDerWaalsContact O-N 3.11Å |
| 166 | L | 87.3 | Confident | 88.9 | Confident | 172 Ų | 172 | 71.8 Ų | 71.8 | 90% | 0.901 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 138.2 | 175.1 | -65.5 | 174.6 | 0 | 0 | 0 | 110.1 | Y168 | L166-Y168 VanDerWaalsContact C-N 3.35Å; L166-Y168 WeakPolarHBondContact O-CD2 3.42Å |
| 167 | G | 87.4 | Confident | 89 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | P165 R178 | P165-G167 PolarHBondContact O-N 3.05Å; G167-R178 WeakPolarHBondContact O-CB 3.07Å; G167-R178 PolarHBondContact O-N 2.91Å |
| 168 | Y | 91.3 | Very high | 89.1 | Confident | 59 Ų | 59 | 65.8 Ų | 65.8 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 155.9 | 179 | -67 | -103.9 | 0 | 0 | 0 | 111.8 | P165 L166 C175 V176 D177 L195 G196 | P165-Y168 HydrophobicContact CB-CD2 3.97Å; P165-Y168 HydrophobicContact CB-CE2 4.43Å; P165-Y168 WeakPolarHBondContact O-CB 3.47Å; P165-Y168 PolarHBondContact O-N 3.12Å; P165-Y168 VanDerWaalsContact O-N 3.11Å; L166-Y168 VanDerWaalsContact C-N 3.35Å; L166-Y168 WeakPolarHBondContact O-CD2 3.42Å; Y168-C175 HydrophobicContact CD1-CB 4.13Å; Y168-C175 HydrophobicContact CG-CB 4.39Å; Y168-V176 CarbonylContact C-O 3.3Å; Y168-V176 WeakPolarHBondContact CA-O 3.41Å; Y168-V176 VanDerWaalsContact CD1-C 3.47Å; Y168-D177 HydrophobicContact CD1-CB 4.2Å; Y168-D177 VanDerWaalsContact CD1-N 3.33Å; Y168-D177 HydrophobicContact CE1-CB 3.87Å; Y168-L195 WeakPolarHBondContact OH-CB 3.28Å; Y168-G196 PolarHBondContact OH-N 2.96Å |
| 169 | Y | 89.8 | Confident | 89.3 | Confident | 101 Ų | 101 | 67.9 Ų | 67.9 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 152.9 | 168.2 | 73.8 | -84 | 0 | 0 | 0 | 111.2 | N171 V176 D177 R178 | Y169-N171 HydrophobicContact CE2-CB 4.35Å; Y169-N171 PolarHBondContact O-N 3.49Å; Y169-V176 HydrophobicContact CD1-CB 4.5Å; Y169-V176 WeakPolarHBondContact CD1-O 3.09Å; Y169-V176 HydrophobicContact CE1-CB 3.95Å; Y169-V176 HydrophobicContact CE1-CG1 3.93Å; Y169-V176 HydrophobicContact CE2-CB 4.48Å; Y169-V176 PolarHBondContact N-O 2.82Å; Y169-V176 PolarHBondContact O-N 2.78Å; Y169-D177 WeakPolarHBondContact CE1-O 3.39Å; Y169-R178 HydrophobicContact CD1-CB 4.21Å |
| 170 | R | 88.1 | Confident | 89.4 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 124.9 | -179.2 | 176.7 | -174.4 | -67.4 | -73.6 | -23.3 | 110.1 | Q151 C162 G172 | Q151-R170 VanDerWaalsContact CD-NH1 3.26Å; Q151-R170 VanDerWaalsContact OE1-CZ 3.27Å; C162-R170 PolarHBondContact O-NH2 3.03Å; R170-G172 VanDerWaalsContact CG-O 3.26Å; R170-G172 WeakPolarHBondContact CG-O 3.36Å |
| 171 | N | 87.6 | Confident | 89.4 | Confident | 103 Ų | 103 | 65.6 Ų | 65.6 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 90.4 | 166.2 | -171 | 12.5 | 0 | 0 | 0 | 109.1 | Y169 D173 S174 V176 | Y169-N171 HydrophobicContact CE2-CB 4.35Å; Y169-N171 PolarHBondContact O-N 3.49Å; N171-D173 PolarHBondContact O-N 3.09Å; N171-S174 PolarHBondContact N-O 3.33Å; N171-S174 PolarHBondContact O-N 2.95Å; N171-V176 HydrophobicContact CB-CG2 3.75Å |
| 172 | G | 84.6 | Confident | 89.4 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -123.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R170 | R170-G172 VanDerWaalsContact CG-O 3.26Å; R170-G172 WeakPolarHBondContact CG-O 3.36Å |
| 173 | D | 81.8 | Confident | 89.2 | Confident | 107 Ų | 107 | 70.5 Ų | 70.5 | 57% | 0.572 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.5 | 179.1 | -61.3 | -30.4 | 0 | 0 | 0 | 113.2 | G148 Q151 N171 | G148-D173 WeakPolarHBondContact CA-O 3.1Å; Q151-D173 PolarHBondContact NE2-O 3Å; N171-D173 PolarHBondContact O-N 3.09Å |
| 174 | S | 85.9 | Confident | 88.7 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 51% | 0.51 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.5 | 179.8 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | N171 | N171-S174 PolarHBondContact N-O 3.33Å; N171-S174 PolarHBondContact O-N 2.95Å |
| 175 | C | 90.9 | Very high | 88.3 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 8% | 0.081 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.1 | 170.6 | -66.8 | 0 | 0 | 0 | 0 | 108.8 | Q151 C164 Y168 | Q151-C175 WeakPolarHBondContact CG-SG 3.43Å; C164-C175 WeakPolarHBondContact CA-SG 3.38Å; C164-C175 HydrophobicContact CB-CB 3.79Å; C164-C175 WeakPolarHBondContact CB-SG 3.44Å; C164-C175 WeakPolarHBondContact SG-CA 3.06Å; C164-C175 WeakPolarHBondContact SG-CB 3.27Å; C164-C175 CovalentContact SG-SG 2.05Å; C164-C175 PolarHBondContact SG-SG 2.89Å; Y168-C175 HydrophobicContact CD1-CB 4.13Å; Y168-C175 HydrophobicContact CG-CB 4.39Å |
| 176 | V | 90.8 | Very high | 88.1 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 32% | 0.315 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.2 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 108 | Y168 Y169 N171 R178 | Y168-V176 CarbonylContact C-O 3.3Å; Y168-V176 WeakPolarHBondContact CA-O 3.41Å; Y168-V176 VanDerWaalsContact CD1-C 3.47Å; Y169-V176 HydrophobicContact CD1-CB 4.5Å; Y169-V176 WeakPolarHBondContact CD1-O 3.09Å; Y169-V176 HydrophobicContact CE1-CB 3.95Å; Y169-V176 HydrophobicContact CE1-CG1 3.93Å; Y169-V176 HydrophobicContact CE2-CB 4.48Å; Y169-V176 PolarHBondContact N-O 2.82Å; Y169-V176 PolarHBondContact O-N 2.78Å; N171-V176 HydrophobicContact CB-CG2 3.75Å; V176-R178 PolarHBondContact O-N 3Å |
| 177 | D | 93.4 | Very high | 88.1 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 14% | 0.139 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 134.5 | 176.7 | -177.3 | 61.3 | 0 | 0 | 0 | 110.5 | Y168 Y169 D179 N193 L195 G196 | Y168-D177 HydrophobicContact CD1-CB 4.2Å; Y168-D177 VanDerWaalsContact CD1-N 3.33Å; Y168-D177 HydrophobicContact CE1-CB 3.87Å; Y169-D177 WeakPolarHBondContact CE1-O 3.39Å; D177-D179 PolarHBondContact O-N 2.93Å; D177-N193 PolarHBondContact OD2-ND2 3.47Å; D177-L195 HydrophobicContact CB-CD2 4.21Å; D177-G196 PolarHBondContact OD1-N 2.8Å |
| 178 | R | 92.7 | Very high | 88.1 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 43% | 0.426 | 40% | 0.4 | S | S | . | . | trans | -86.2 | 99.1 | 176.4 | -178.1 | -174 | -58 | -101.5 | -4.6 | 107.4 | G167 Y169 V176 E180 L183 | G167-R178 WeakPolarHBondContact O-CB 3.07Å; G167-R178 PolarHBondContact O-N 2.91Å; Y169-R178 HydrophobicContact CD1-CB 4.21Å; V176-R178 PolarHBondContact O-N 3Å; R178-E180 PolarHBondContact O-N 2.76Å; R178-E180 VanDerWaalsContact O-OE2 3.1Å; R178-L183 HydrophobicContact CG-CD1 3.96Å | ||
| 179 | D | 91.8 | Very high | 88 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | trans | -62.7 | 98 | 175 | -171.9 | -20 | 0 | 0 | 0 | 110.6 | D177 C181 A182 L183 N193 | D177-D179 PolarHBondContact O-N 2.93Å; D179-C181 PolarHBondContact O-N 3.42Å; D179-C181 WeakPolarHBondContact OD1-CA 3.43Å; D179-C181 WeakPolarHBondContact OD1-CB 3.33Å; D179-C181 PolarHBondContact OD1-N 3.04Å; D179-A182 HydrophobicContact CB-CB 3.92Å; D179-A182 PolarHBondContact O-N 3.26Å; D179-A182 PolarHBondContact OD1-N 2.97Å; D179-L183 WeakPolarHBondContact O-CG 3.35Å; D179-N193 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 180 | E | 92.1 | Very high | 88 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 15% | 0.15 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -70.8 | -21.6 | -179.7 | -65.8 | 96.6 | 176.7 | 0 | 0 | 111.9 | R178 L183 N193 Y198 | R178-E180 PolarHBondContact O-N 2.76Å; R178-E180 VanDerWaalsContact O-OE2 3.1Å; E180-L183 CarbonylContact O-C 3.15Å; E180-L183 PolarHBondContact O-N 2.83Å; E180-N193 PolarHBondContact OE2-OD1 2.75Å; E180-Y198 HydrophobicContact CB-CD1 3.35Å; E180-Y198 HydrophobicContact CB-CD2 4.44Å; E180-Y198 HydrophobicContact CB-CE1 3.81Å; E180-Y198 HydrophobicContact CB-CG 3.7Å; E180-Y198 HydrophobicContact CG-CD1 3.52Å; E180-Y198 HydrophobicContact CG-CE1 3.9Å; E180-Y198 HydrophobicContact CG-CG 4.33Å; E180-Y198 WeakPolarHBondContact OE2-CD1 3.46Å |
| 181 | C | 91.2 | Very high | 88.3 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -79.9 | -28 | 177.6 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | D179 L183 C191 V192 N193 | D179-C181 PolarHBondContact O-N 3.42Å; D179-C181 WeakPolarHBondContact OD1-CA 3.43Å; D179-C181 WeakPolarHBondContact OD1-CB 3.33Å; D179-C181 PolarHBondContact OD1-N 3.04Å; C181-L183 PolarHBondContact O-N 3Å; C181-C191 WeakPolarHBondContact CA-SG 3.3Å; C181-C191 HydrophobicContact CB-CB 3.73Å; C181-C191 WeakPolarHBondContact CB-SG 3.17Å; C181-C191 WeakPolarHBondContact SG-CB 3.44Å; C181-C191 PolarHBondContact SG-O 3Å; C181-C191 CovalentContact SG-SG 2.04Å; C181-C191 PolarHBondContact SG-SG 3Å; C181-V192 PolarHBondContact SG-N 2.8Å; C181-N193 HydrophobicContact CB-CB 4.39Å; C181-N193 PolarHBondContact SG-N 3.07Å |
| 182 | A | 90.1 | Very high | 88.6 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 63% | 0.628 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -75.3 | -9.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D179 | D179-A182 HydrophobicContact CB-CB 3.92Å; D179-A182 PolarHBondContact O-N 3.26Å; D179-A182 PolarHBondContact OD1-N 2.97Å |
| 183 | L | 85.3 | Confident | 89 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -103.9 | -178 | 174.5 | -61.9 | 174.6 | 0 | 0 | 0 | 110.8 | R178 D179 E180 C181 H185 | R178-L183 HydrophobicContact CG-CD1 3.96Å; D179-L183 WeakPolarHBondContact O-CG 3.35Å; E180-L183 CarbonylContact O-C 3.15Å; E180-L183 PolarHBondContact O-N 2.83Å; C181-L183 PolarHBondContact O-N 3Å; L183-H185 PolarHBondContact O-N 3.19Å |
| 184 | S | 80.5 | Confident | 89.6 | Confident | 118 Ų | 118 | 62.1 Ų | 62.1 | 83% | 0.825 | 35% | 0.347 | S | S | * | . | trans | -69.2 | 96.4 | 172.1 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 185 | H | 83.3 | Confident | 89.8 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | trans | -86 | 159.5 | 177.5 | 60.1 | 74.5 | 0 | 0 | 0 | 112.8 | L183 C187 C191 | L183-H185 PolarHBondContact O-N 3.19Å; H185-C187 PolarHBondContact ND1-O 3.38Å; H185-C191 HydrophobicContact CB-CB 4.46Å | ||
| 186 | Y | 85.3 | Confident | 89.7 | Confident | 182 Ų | 182 | 65.9 Ų | 65.9 | 71% | 0.714 | 36% | 0.364 | S | S | * | . | trans | -94.2 | -1.7 | 178.3 | -59.5 | -74.8 | 0 | 0 | 0 | 113.9 | M188 | Y186-M188 PolarHBondContact O-N 2.75Š| ||
| 187 | C | 87 | Confident | 89.8 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | trans | -62.4 | 131.1 | 177.8 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | H185 G190 C191 C200 | H185-C187 PolarHBondContact ND1-O 3.38Å; C187-G190 WeakPolarHBondContact CB-O 3.41Å; C187-C191 HydrophobicContact CB-CB 4.23Å; C187-C200 WeakPolarHBondContact CA-SG 3.46Å; C187-C200 HydrophobicContact CB-CB 3.63Å; C187-C200 WeakPolarHBondContact CB-SG 3.4Å; C187-C200 WeakPolarHBondContact SG-CA 3.25Å; C187-C200 WeakPolarHBondContact SG-CB 3.19Å; C187-C200 CovalentContact SG-SG 2.03Å; C187-C200 PolarHBondContact SG-SG 3.44Å | ||
| 188 | M | 87.4 | Confident | 89.7 | Confident | 93 Ų | 93 | 67 Ų | 67 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -70.3 | -34.4 | 178.2 | -166.3 | -175.4 | 97.7 | 0 | 0 | 112.6 | Y186 Y213 C215 | Y186-M188 PolarHBondContact O-N 2.75Å; M188-Y213 WeakPolarHBondContact CB-O 3.38Å; M188-Y213 PolarHBondContact N-O 3.03Å; M188-C215 HydrophobicContact CE-CB 3.53Å; M188-C215 VanDerWaalsContact CE-O 3.24Å; M188-C215 WeakPolarHBondContact CE-O 3.37Å; M188-C215 HydrophobicContact SD-CB 4.46Å; M188-C215 PolarHBondContact SD-N 3.4Å |
| 189 | H | 88.7 | Confident | 89.6 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 22% | 0.218 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -117 | -115.7 | 177.4 | -68.5 | 160.2 | 0 | 0 | 0 | 110 | E201 N203 Y206 C215 | H189-E201 VanDerWaalsContact CB-O 3.28Å; H189-E201 WeakPolarHBondContact CB-O 3.41Å; H189-N203 PolarHBondContact ND1-N 3Å; H189-Y206 AromaticContact CE1-CD1 3.84Å; H189-Y206 AromaticContact CE1-CD2 3.81Å; H189-Y206 AromaticContact CE1-CG 3.68Å; H189-C215 PolarHBondContact ND1-SG 2.8Å |
| 190 | G | 89.2 | Confident | 89.7 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 150.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C187 C200 E201 | C187-G190 WeakPolarHBondContact CB-O 3.41Å; G190-C200 CarbonylContact O-C 3.59Å; G190-C200 WeakPolarHBondContact O-CA 3.46Å; G190-E201 PolarHBondContact N-O 2.97Å; G190-E201 PolarHBondContact O-N 3.41Å |
| 191 | C | 93.8 | Very high | 89.8 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.2 | 171.8 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | C181 H185 C187 Y198 | C181-C191 WeakPolarHBondContact CA-SG 3.3Å; C181-C191 HydrophobicContact CB-CB 3.73Å; C181-C191 WeakPolarHBondContact CB-SG 3.17Å; C181-C191 WeakPolarHBondContact SG-CB 3.44Å; C181-C191 PolarHBondContact SG-O 3Å; C181-C191 CovalentContact SG-SG 2.04Å; C181-C191 PolarHBondContact SG-SG 3Å; H185-C191 HydrophobicContact CB-CB 4.46Å; C187-C191 HydrophobicContact CB-CB 4.23Å; C191-Y198 VanDerWaalsContact SG-CD2 3.52Å |
| 192 | V | 94.7 | Very high | 89.8 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 26% | 0.261 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.1 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | C181 Y198 Y199 E201 | C181-V192 PolarHBondContact SG-N 2.8Å; V192-Y198 WeakPolarHBondContact O-CA 3.3Å; V192-Y198 WeakPolarHBondContact O-CB 3.41Å; V192-Y199 HydrophobicContact CB-CD1 4.16Å; V192-Y199 HydrophobicContact CB-CE1 3.65Å; V192-Y199 HydrophobicContact CB-CE2 4.08Å; V192-Y199 HydrophobicContact CG1-CD1 4.41Å; V192-Y199 HydrophobicContact CG1-CE1 3.57Å; V192-Y199 HydrophobicContact CG2-CE2 4.26Å; V192-Y199 PolarHBondContact N-O 3.17Å; V192-Y199 PolarHBondContact O-N 3.45Å; V192-E201 HydrophobicContact CG2-CG 3.86Å |
| 193 | N | 93.9 | Very high | 89.8 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137 | 178.3 | -170.3 | 53.9 | 0 | 0 | 0 | 110.5 | D177 D179 E180 C181 | D177-N193 PolarHBondContact OD2-ND2 3.47Å; D179-N193 WeakPolarHBondContact CA-OD1 3.44Å; E180-N193 PolarHBondContact OE2-OD1 2.75Å; C181-N193 HydrophobicContact CB-CB 4.39Å; C181-N193 PolarHBondContact SG-N 3.07Å |
| 194 | T | 93.1 | Very high | 89.9 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 162.9 | 177.6 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | G196 S197 Y199 | T194-G196 PolarHBondContact O-N 3.31Å; T194-S197 CarbonylContact C-O 3.6Å; T194-S197 VanDerWaalsContact C-O 3.22Å; T194-S197 VanDerWaalsContact CA-O 3.27Å; T194-S197 WeakPolarHBondContact CA-O 3.16Å; T194-S197 WeakPolarHBondContact CB-O 3.32Å; T194-S197 PolarHBondContact N-O 3.07Å; T194-S197 PolarHBondContact O-N 3.21Å; T194-S197 PolarHBondContact OG1-O 3.25Å; T194-Y199 HydrophobicContact CG2-CD1 3.66Å; T194-Y199 HydrophobicContact CG2-CE1 3.66Å |
| 195 | L | 91.8 | Very high | 90.2 | Very high | 144 Ų | 144 | 63.6 Ų | 63.6 | 75% | 0.754 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 111.7 | 179.3 | -70.2 | 178.1 | 0 | 0 | 0 | 110.8 | Y168 D177 | Y168-L195 WeakPolarHBondContact OH-CB 3.28Å; D177-L195 HydrophobicContact CB-CD2 4.21Å |
| 196 | G | 88.6 | Confident | 90.5 | Very high | 19 Ų | 19 | 63 Ų | 63 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 3.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y168 D177 T194 | Y168-G196 PolarHBondContact OH-N 2.96Å; D177-G196 PolarHBondContact OD1-N 2.8Å; T194-G196 PolarHBondContact O-N 3.31Å |
| 197 | S | 91.5 | Very high | 90.8 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 43% | 0.427 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | -175.8 | -179.8 | -156.4 | 0 | 0 | 0 | 0 | 112.2 | T194 | T194-S197 CarbonylContact C-O 3.6Å; T194-S197 VanDerWaalsContact C-O 3.22Å; T194-S197 VanDerWaalsContact CA-O 3.27Å; T194-S197 WeakPolarHBondContact CA-O 3.16Å; T194-S197 WeakPolarHBondContact CB-O 3.32Å; T194-S197 PolarHBondContact N-O 3.07Å; T194-S197 PolarHBondContact O-N 3.21Å; T194-S197 PolarHBondContact OG1-O 3.25Å |
| 198 | Y | 91.7 | Very high | 91.1 | Very high | 42 Ų | 42 | 63 Ų | 63 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 162.8 | 171.1 | 71 | -73.1 | 0 | 0 | 0 | 109.7 | E180 C191 V192 Y213 | E180-Y198 HydrophobicContact CB-CD1 3.35Å; E180-Y198 HydrophobicContact CB-CD2 4.44Å; E180-Y198 HydrophobicContact CB-CE1 3.81Å; E180-Y198 HydrophobicContact CB-CG 3.7Å; E180-Y198 HydrophobicContact CG-CD1 3.52Å; E180-Y198 HydrophobicContact CG-CE1 3.9Å; E180-Y198 HydrophobicContact CG-CG 4.33Å; E180-Y198 WeakPolarHBondContact OE2-CD1 3.46Å; C191-Y198 VanDerWaalsContact SG-CD2 3.52Å; V192-Y198 WeakPolarHBondContact O-CA 3.3Å; V192-Y198 WeakPolarHBondContact O-CB 3.41Å; Y198-Y213 HydrophobicContact CE2-CE1 4.19Å; Y198-Y213 AromaticContact CZ-CE1 3.92Å; Y198-Y213 VanDerWaalsContact OH-CE1 3.31Å; Y198-Y213 WeakPolarHBondContact OH-CE1 3Å |
| 199 | Y | 91.8 | Very high | 91.2 | Very high | 107 Ų | 107 | 59.3 Ų | 59.3 | 42% | 0.42 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156.1 | 169.8 | 70.8 | -86.5 | 0 | 0 | 0 | 110.9 | V192 T194 E201 | V192-Y199 HydrophobicContact CB-CD1 4.16Å; V192-Y199 HydrophobicContact CB-CE1 3.65Å; V192-Y199 HydrophobicContact CB-CE2 4.08Å; V192-Y199 HydrophobicContact CG1-CD1 4.41Å; V192-Y199 HydrophobicContact CG1-CE1 3.57Å; V192-Y199 HydrophobicContact CG2-CE2 4.26Å; V192-Y199 PolarHBondContact N-O 3.17Å; V192-Y199 PolarHBondContact O-N 3.45Å; T194-Y199 HydrophobicContact CG2-CD1 3.66Å; T194-Y199 HydrophobicContact CG2-CE1 3.66Å; Y199-E201 HydrophobicContact CD2-CG 4Å; Y199-E201 HydrophobicContact CE2-CG 3.41Å; Y199-E201 VanDerWaalsContact CE2-CG 3.41Å; Y199-E201 WeakPolarHBondContact CE2-OE1 3.45Å; Y199-E201 PolarHBondContact OH-OE1 3.04Å |
| 200 | C | 92.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 139.1 | -180 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | C187 G190 L208 | C187-C200 WeakPolarHBondContact CA-SG 3.46Å; C187-C200 HydrophobicContact CB-CB 3.63Å; C187-C200 WeakPolarHBondContact CB-SG 3.4Å; C187-C200 WeakPolarHBondContact SG-CA 3.25Å; C187-C200 WeakPolarHBondContact SG-CB 3.19Å; C187-C200 CovalentContact SG-SG 2.03Å; C187-C200 PolarHBondContact SG-SG 3.44Å; G190-C200 CarbonylContact O-C 3.59Å; G190-C200 WeakPolarHBondContact O-CA 3.46Å; C200-L208 HydrophobicContact CB-CD1 4.05Å |
| 201 | E | 94.1 | Very high | 91.2 | Very high | 92 Ų | 92 | 69.1 Ų | 69.1 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.9 | 173.5 | -72.1 | -173 | 169.4 | 0 | 0 | 110 | H189 G190 V192 Y199 | H189-E201 VanDerWaalsContact CB-O 3.28Å; H189-E201 WeakPolarHBondContact CB-O 3.41Å; G190-E201 PolarHBondContact N-O 2.97Å; G190-E201 PolarHBondContact O-N 3.41Å; V192-E201 HydrophobicContact CG2-CG 3.86Å; Y199-E201 HydrophobicContact CD2-CG 4Å; Y199-E201 HydrophobicContact CE2-CG 3.41Å; Y199-E201 VanDerWaalsContact CE2-CG 3.41Å; Y199-E201 WeakPolarHBondContact CE2-OE1 3.45Å; Y199-E201 PolarHBondContact OH-OE1 3.04Å |
| 202 | C | 91.8 | Very high | 90.9 | Very high | 35 Ų | 35 | 72.6 Ų | 72.6 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -99.8 | 141.1 | 179.3 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | L208 C215 | C202-L208 VanDerWaalsContact SG-CA 3.59Å; C202-C215 WeakPolarHBondContact CA-SG 3.48Å; C202-C215 HydrophobicContact CB-CB 3.74Å; C202-C215 WeakPolarHBondContact CB-SG 3.22Å; C202-C215 WeakPolarHBondContact SG-CB 3.42Å; C202-C215 CovalentContact SG-SG 2.03Å; C202-C215 PolarHBondContact SG-SG 3.07Å |
| 203 | N | 89.8 | Confident | 90.5 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 156.7 | 170 | -67 | -17.1 | 0 | 0 | 0 | 111 | H189 Y206 | H189-N203 PolarHBondContact ND1-N 3Å; N203-Y206 HydrophobicContact CB-CD2 4.3Å; N203-Y206 WeakPolarHBondContact O-CB 3.22Å; N203-Y206 PolarHBondContact O-N 3.45Å; N203-Y206 VanDerWaalsContact O-N 3.15Å |
| 204 | P | 88.4 | Confident | 90.1 | Very high | 118 Ų | 118 | 75 Ų | 75 | 77% | 0.766 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 141.3 | 173.6 | -25.6 | 34.6 | 0 | 0 | 0 | 112 | Y206 | P204-Y206 VanDerWaalsContact C-N 3.35Å; P204-Y206 WeakPolarHBondContact O-CD2 3.36Å |
| 205 | G | 86.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 22% | 0.216 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 2.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V218 | G205-V218 PolarHBondContact O-N 3.03Š|
| 206 | Y | 89.8 | Confident | 89.8 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 148.6 | 178.9 | -60 | -101.8 | 0 | 0 | 0 | 112 | H189 N203 P204 C215 T216 D217 I235 G236 | H189-Y206 AromaticContact CE1-CD1 3.84Å; H189-Y206 AromaticContact CE1-CD2 3.81Å; H189-Y206 AromaticContact CE1-CG 3.68Å; N203-Y206 HydrophobicContact CB-CD2 4.3Å; N203-Y206 WeakPolarHBondContact O-CB 3.22Å; N203-Y206 PolarHBondContact O-N 3.45Å; N203-Y206 VanDerWaalsContact O-N 3.15Å; P204-Y206 VanDerWaalsContact C-N 3.35Å; P204-Y206 WeakPolarHBondContact O-CD2 3.36Å; Y206-C215 HydrophobicContact CD1-CB 4.37Å; Y206-C215 HydrophobicContact CG-CB 4.45Å; Y206-T216 CarbonylContact C-O 3.58Å; Y206-T216 WeakPolarHBondContact CA-O 3.47Å; Y206-D217 HydrophobicContact CE1-CB 4.48Å; Y206-I235 HydrophobicContact CE1-CG2 4.25Å; Y206-I235 WeakPolarHBondContact OH-CG2 3.44Å; Y206-G236 VanDerWaalsContact CZ-CA 3.48Å; Y206-G236 PolarHBondContact OH-N 2.8Å |
| 207 | K | 91.3 | Very high | 89.9 | Confident | 121 Ų | 121 | 70.3 Ų | 70.3 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.5 | 173.8 | 64.9 | -175.8 | 175.1 | -169.5 | 0 | 111.1 | A209 C215 T216 V218 | K207-A209 PolarHBondContact O-N 3.41Å; K207-C215 CarbonylContact O-C 3.51Å; K207-C215 WeakPolarHBondContact O-CA 3.31Å; K207-T216 WeakPolarHBondContact CG-OG1 3.34Å; K207-T216 PolarHBondContact N-O 3.42Å; K207-T216 PolarHBondContact O-N 3.06Å; K207-T216 PolarHBondContact O-OG1 3.39Å; K207-V218 HydrophobicContact CB-CG2 3.83Å; K207-V218 HydrophobicContact CD-CG2 4.23Å; K207-V218 HydrophobicContact CG-CG2 3.98Å |
| 208 | L | 92.5 | Very high | 89.8 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 127.2 | 177.6 | -164.2 | 68.3 | 0 | 0 | 0 | 109.9 | C200 C202 N212 | C200-L208 HydrophobicContact CB-CD1 4.05Å; C202-L208 VanDerWaalsContact SG-CA 3.59Å; L208-N212 HydrophobicContact CD2-CB 4.22Å |
| 209 | A | 90.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 13% | 0.132 | 36% | 0.361 | C | S | . | . | trans | -71.5 | 165.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | K207 N211 N212 S214 T216 | K207-A209 PolarHBondContact O-N 3.41Å; A209-N211 PolarHBondContact O-N 2.88Å; A209-N212 PolarHBondContact O-N 3.35Å; A209-S214 VanDerWaalsContact CB-O 3.23Å; A209-S214 WeakPolarHBondContact CB-O 3.31Å; A209-S214 PolarHBondContact N-O 2.91Å; A209-T216 HydrophobicContact CB-CG2 4.09Å | ||
| 210 | H | 89.5 | Confident | 89.7 | Confident | 199 Ų | 199 | 65.6 Ų | 65.6 | 92% | 0.921 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.2 | 179.9 | -67 | 83.4 | 0 | 0 | 0 | 114.5 | N212 | H210-N212 VanDerWaalsContact C-N 3.29Š|
| 211 | N | 86.6 | Confident | 89.5 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4 | 177.2 | 68.6 | 4.1 | 0 | 0 | 0 | 113.4 | A209 Y213 S214 | A209-N211 PolarHBondContact O-N 2.88Å; N211-Y213 WeakPolarHBondContact O-CD2 3.48Å; N211-Y213 VanDerWaalsContact O-CE2 3.3Å; N211-Y213 WeakPolarHBondContact O-CE2 3.43Å; N211-Y213 PolarHBondContact O-N 3.39Å; N211-Y213 VanDerWaalsContact O-N 3.16Å; N211-Y213 PolarHBondContact OD1-N 2.95Å; N211-Y213 VanDerWaalsContact OD1-N 3.08Å; N211-S214 WeakPolarHBondContact ND2-CB 3.3Å; N211-S214 PolarHBondContact ND2-OG 2.93Å; N211-S214 PolarHBondContact OD1-N 2.8Å |
| 212 | N | 88.1 | Confident | 89.3 | Confident | 102 Ų | 102 | 70.7 Ų | 70.7 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 61.9 | 9.9 | -178 | -60.6 | -20.3 | 0 | 0 | 0 | 116.3 | L208 A209 H210 | L208-N212 HydrophobicContact CD2-CB 4.22Å; A209-N212 PolarHBondContact O-N 3.35Å; H210-N212 VanDerWaalsContact C-N 3.29Å |
| 213 | Y | 86.1 | Confident | 88.7 | Confident | 102 Ų | 102 | 72.6 Ų | 72.6 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -125 | -34 | -179.3 | -59.9 | -70.7 | 0 | 0 | 0 | 113.4 | M188 Y198 N211 | M188-Y213 WeakPolarHBondContact CB-O 3.38Å; M188-Y213 PolarHBondContact N-O 3.03Å; Y198-Y213 HydrophobicContact CE2-CE1 4.19Å; Y198-Y213 AromaticContact CZ-CE1 3.92Å; Y198-Y213 VanDerWaalsContact OH-CE1 3.31Å; Y198-Y213 WeakPolarHBondContact OH-CE1 3Å; N211-Y213 WeakPolarHBondContact O-CD2 3.48Å; N211-Y213 VanDerWaalsContact O-CE2 3.3Å; N211-Y213 WeakPolarHBondContact O-CE2 3.43Å; N211-Y213 PolarHBondContact O-N 3.39Å; N211-Y213 VanDerWaalsContact O-N 3.16Å; N211-Y213 PolarHBondContact OD1-N 2.95Å; N211-Y213 VanDerWaalsContact OD1-N 3.08Å |
| 214 | S | 85.9 | Confident | 87.5 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 31% | 0.308 | 41% | 0.405 | S | S | . | . | trans | -92.8 | 149.4 | -179.9 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | A209 N211 | A209-S214 VanDerWaalsContact CB-O 3.23Å; A209-S214 WeakPolarHBondContact CB-O 3.31Å; A209-S214 PolarHBondContact N-O 2.91Å; N211-S214 WeakPolarHBondContact ND2-CB 3.3Å; N211-S214 PolarHBondContact ND2-OG 2.93Å; N211-S214 PolarHBondContact OD1-N 2.8Å | ||
| 215 | C | 89.6 | Confident | 86.3 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 7% | 0.068 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.1 | 171.3 | -56.6 | 0 | 0 | 0 | 0 | 109.4 | M188 H189 C202 Y206 K207 | M188-C215 HydrophobicContact CE-CB 3.53Å; M188-C215 VanDerWaalsContact CE-O 3.24Å; M188-C215 WeakPolarHBondContact CE-O 3.37Å; M188-C215 HydrophobicContact SD-CB 4.46Å; M188-C215 PolarHBondContact SD-N 3.4Å; H189-C215 PolarHBondContact ND1-SG 2.8Å; C202-C215 WeakPolarHBondContact CA-SG 3.48Å; C202-C215 HydrophobicContact CB-CB 3.74Å; C202-C215 WeakPolarHBondContact CB-SG 3.22Å; C202-C215 WeakPolarHBondContact SG-CB 3.42Å; C202-C215 CovalentContact SG-SG 2.03Å; C202-C215 PolarHBondContact SG-SG 3.07Å; Y206-C215 HydrophobicContact CD1-CB 4.37Å; Y206-C215 HydrophobicContact CG-CB 4.45Å; K207-C215 CarbonylContact O-C 3.51Å; K207-C215 WeakPolarHBondContact O-CA 3.31Å |
| 216 | T | 89.6 | Confident | 86.1 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 38% | 0.38 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 142.7 | 172.9 | 52 | 0 | 0 | 0 | 0 | 108.8 | Y206 K207 A209 | Y206-T216 CarbonylContact C-O 3.58Å; Y206-T216 WeakPolarHBondContact CA-O 3.47Å; K207-T216 WeakPolarHBondContact CG-OG1 3.34Å; K207-T216 PolarHBondContact N-O 3.42Å; K207-T216 PolarHBondContact O-N 3.06Å; K207-T216 PolarHBondContact O-OG1 3.39Å; A209-T216 HydrophobicContact CB-CG2 4.09Å |
| 217 | D | 89.9 | Confident | 86.1 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 140.9 | 172.2 | -172.2 | 59.5 | 0 | 0 | 0 | 111.6 | Y206 N233 G236 | Y206-D217 HydrophobicContact CE1-CB 4.48Å; D217-N233 PolarHBondContact OD2-ND2 3Å; D217-G236 PolarHBondContact OD1-N 3.33Å |
| 218 | V | 90.4 | Very high | 86.2 | Confident | 39 Ų | 39 | 75.1 Ų | 75.1 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | trans | -92.6 | 118.4 | 171.6 | 175.5 | 0 | 0 | 0 | 0 | 106.9 | G205 K207 E220 N233 | G205-V218 PolarHBondContact O-N 3.03Å; K207-V218 HydrophobicContact CB-CG2 3.83Å; K207-V218 HydrophobicContact CD-CG2 4.23Å; K207-V218 HydrophobicContact CG-CG2 3.98Å; V218-E220 HydrophobicContact CG1-CG 4.27Å; V218-E220 PolarHBondContact O-N 3.4Å; V218-N233 PolarHBondContact O-OD1 2.9Å | ||
| 219 | N | 89.3 | Confident | 86.2 | Confident | 45 Ų | 45 | 74.3 Ų | 74.3 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | trans | -76.5 | 95.4 | 172.8 | -171.9 | -12.7 | 0 | 0 | 0 | 110.1 | C221 E222 N233 | N219-C221 PolarHBondContact O-N 3.36Å; N219-C221 WeakPolarHBondContact OD1-CB 3.36Å; N219-C221 PolarHBondContact OD1-N 2.83Å; N219-E222 HydrophobicContact CB-CB 4.36Å; N219-E222 HydrophobicContact CB-CG 4.29Å; N219-E222 WeakPolarHBondContact ND2-CG 3.45Å; N219-E222 PolarHBondContact ND2-OE1 3.09Å; N219-E222 PolarHBondContact O-N 3.47Å; N219-N233 WeakPolarHBondContact CA-OD1 3.35Å; N219-N233 VanDerWaalsContact OD1-CB 3.32Å; N219-N233 WeakPolarHBondContact OD1-CB 3.22Å | ||
| 220 | E | 90.5 | Very high | 86.2 | Confident | 27 Ų | 27 | 78 Ų | 78 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -11.8 | 179.9 | -58.9 | 92.7 | 169.9 | 0 | 0 | 113.2 | V218 T223 T226 N233 F238 | V218-E220 HydrophobicContact CG1-CG 4.27Å; V218-E220 PolarHBondContact O-N 3.4Å; E220-T223 WeakPolarHBondContact CA-OG1 3.26Å; E220-T223 PolarHBondContact O-OG1 2.9Å; E220-T226 HydrophobicContact CB-CG2 4.2Å; E220-T226 WeakPolarHBondContact O-CB 3.23Å; E220-T226 PolarHBondContact O-OG1 3.28Å; E220-N233 PolarHBondContact OE2-OD1 3.36Å; E220-F238 HydrophobicContact CB-CB 4.05Å; E220-F238 HydrophobicContact CB-CD1 3.53Å; E220-F238 HydrophobicContact CB-CE1 4.18Å; E220-F238 HydrophobicContact CB-CG 3.85Å; E220-F238 HydrophobicContact CG-CD1 3.61Å; E220-F238 HydrophobicContact CG-CE1 4.17Å; E220-F238 HydrophobicContact CG-CG 4.39Å |
| 221 | C | 89.4 | Confident | 86.3 | Confident | 44 Ų | 44 | 70.5 Ų | 70.5 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.3 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | N219 C231 Y232 N233 | N219-C221 PolarHBondContact O-N 3.36Å; N219-C221 WeakPolarHBondContact OD1-CB 3.36Å; N219-C221 PolarHBondContact OD1-N 2.83Å; C221-C231 WeakPolarHBondContact CA-SG 3.47Å; C221-C231 HydrophobicContact CB-CB 3.75Å; C221-C231 WeakPolarHBondContact CB-SG 3.49Å; C221-C231 WeakPolarHBondContact SG-CB 3.49Å; C221-C231 CovalentContact SG-SG 2.04Å; C221-C231 PolarHBondContact SG-SG 3.35Å; C221-Y232 PolarHBondContact SG-N 3.46Å; C221-Y232 VanDerWaalsContact SG-N 3.42Å; C221-N233 PolarHBondContact SG-N 3.1Å |
| 222 | E | 88.6 | Confident | 86.5 | Confident | 160 Ų | 160 | 70.3 Ų | 70.3 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -89.2 | -8.6 | 173.9 | -75.3 | 173.1 | -161.1 | 0 | 0 | 112.6 | N219 | N219-E222 HydrophobicContact CB-CB 4.36Å; N219-E222 HydrophobicContact CB-CG 4.29Å; N219-E222 WeakPolarHBondContact ND2-CG 3.45Å; N219-E222 PolarHBondContact ND2-OE1 3.09Å; N219-E222 PolarHBondContact O-N 3.47Å |
| 223 | T | 79.8 | Confident | 86.4 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -84.9 | 141.4 | 171.3 | 39.9 | 0 | 0 | 0 | 0 | 111.3 | E220 S225 T226 | E220-T223 WeakPolarHBondContact CA-OG1 3.26Å; E220-T223 PolarHBondContact O-OG1 2.9Å; T223-S225 PolarHBondContact O-N 3.45Å; T223-T226 PolarHBondContact OG1-OG1 3.04Å |
| 224 | E | 64.1 | Low | 86.5 | Confident | 185 Ų | 185 | 65.4 Ų | 65.4 | 86% | 0.864 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 124 | -179.6 | -75 | -87.9 | 156.3 | 0 | 0 | 111.8 | ||
| 225 | S | 63.9 | Low | 86.5 | Confident | 115 Ų | 115 | 68 Ų | 68 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 42.6 | 166.9 | -50.4 | 0 | 0 | 0 | 0 | 118.3 | T223 | T223-S225 PolarHBondContact O-N 3.45Š|
| 226 | T | 83.4 | Confident | 86.2 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 18% | 0.184 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -80.2 | -43.5 | 178.2 | -54 | 0 | 0 | 0 | 0 | 114.6 | E220 T223 F238 V253 | E220-T226 HydrophobicContact CB-CG2 4.2Å; E220-T226 WeakPolarHBondContact O-CB 3.23Å; E220-T226 PolarHBondContact O-OG1 3.28Å; T223-T226 PolarHBondContact OG1-OG1 3.04Å; T226-F238 HydrophobicContact CG2-CD1 4.32Å; T226-F238 HydrophobicContact CG2-CD2 3.55Å; T226-F238 HydrophobicContact CG2-CE1 4.05Å; T226-F238 HydrophobicContact CG2-CE2 3.23Å; T226-F238 HydrophobicContact CG2-CG 4.1Å; T226-F238 HydrophobicContact CG2-CZ 3.5Å; T226-V253 WeakPolarHBondContact O-CB 3.07Å; T226-V253 VanDerWaalsContact O-CG1 3.25Å; T226-V253 WeakPolarHBondContact O-CG1 3.41Å |
| 227 | C | 90 | Very high | 86.1 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | trans | -122.4 | 148.2 | -179.2 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | C231 C240 | C227-C231 HydrophobicContact CB-CB 3.94Å; C227-C231 WeakPolarHBondContact SG-CB 3.47Å; C227-C240 VanDerWaalsContact CA-SG 3.53Å; C227-C240 HydrophobicContact CB-CB 3.69Å; C227-C240 WeakPolarHBondContact CB-SG 3.33Å; C227-C240 WeakPolarHBondContact SG-CA 3.29Å; C227-C240 WeakPolarHBondContact SG-CB 3.03Å; C227-C240 CovalentContact SG-SG 2.02Å; C227-C240 PolarHBondContact SG-SG 3.31Å | ||
| 228 | Q | 92.6 | Very high | 86.1 | Confident | 98 Ų | 98 | 69.1 Ų | 69.1 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -69.6 | -41.1 | 176.6 | -177.4 | 176.3 | -33.3 | 0 | 0 | 113.1 | V253 C255 | Q228-V253 PolarHBondContact N-O 3.34Å; Q228-C255 HydrophobicContact CB-CB 4.4Å; Q228-C255 HydrophobicContact CG-CB 4.39Å; Q228-C255 PolarHBondContact NE2-O 2.7Å; Q228-C255 VanDerWaalsContact NE2-O 3.11Å; Q228-C255 PolarHBondContact OE1-O 3.03Å |
| 229 | H | 91.3 | Very high | 86 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 26% | 0.255 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -113.8 | -95.7 | -179.1 | -64.7 | 158.9 | 0 | 0 | 0 | 111.3 | Q241 D243 F246 C255 | H229-Q241 WeakPolarHBondContact CB-O 3.45Å; H229-D243 WeakPolarHBondContact CB-OD1 3.07Å; H229-D243 IonicContact CG-OD1 3.13Å; H229-D243 PolarHBondContact ND1-N 2.64Å; H229-D243 VanDerWaalsContact ND1-N 3.19Å; H229-D243 IonicContact ND1-OD1 3.08Å; H229-F246 AromaticContact CE1-CD2 3.91Å; H229-F246 AromaticContact CE1-CG 3.81Å; H229-C255 PolarHBondContact ND1-SG 3Å; H229-C255 VanDerWaalsContact ND1-SG 3.4Å |
| 230 | H | 91.3 | Very high | 86.2 | Confident | 93 Ų | 93 | 67.6 Ų | 67.6 | 43% | 0.431 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139.2 | -177.1 | -61.5 | -64.2 | 0 | 0 | 0 | 111.6 | Y232 C240 Q241 D243 | H230-Y232 HydrophobicContact CB-CE2 3.9Å; H230-C240 CarbonylContact O-C 3.59Å; H230-C240 VanDerWaalsContact O-CA 3.3Å; H230-C240 WeakPolarHBondContact O-CA 3.5Å; H230-Q241 HydrophobicContact CB-CB 4.23Å; H230-Q241 WeakPolarHBondContact CB-O 3.39Å; H230-Q241 PolarHBondContact N-O 3.38Å; H230-Q241 PolarHBondContact O-N 2.79Å; H230-D243 IonicContact CD2-OD1 2.63Å; H230-D243 PolarHBondContact CD2-OD1 2.74Å; H230-D243 IonicContact NE2-OD1 2.81Å; H230-D243 PolarHBondContact NE2-OD1 3.12Å |
| 231 | C | 92.2 | Very high | 86.3 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | C221 C227 | C221-C231 WeakPolarHBondContact CA-SG 3.47Å; C221-C231 HydrophobicContact CB-CB 3.75Å; C221-C231 WeakPolarHBondContact CB-SG 3.49Å; C221-C231 WeakPolarHBondContact SG-CB 3.49Å; C221-C231 CovalentContact SG-SG 2.04Å; C221-C231 PolarHBondContact SG-SG 3.35Å; C227-C231 HydrophobicContact CB-CB 3.94Å; C227-C231 WeakPolarHBondContact SG-CB 3.47Å |
| 232 | Y | 90.2 | Very high | 86.6 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.4 | 174.5 | -60.7 | -86.2 | 0 | 0 | 0 | 109.9 | C221 H230 F238 L239 Q241 | C221-Y232 PolarHBondContact SG-N 3.46Å; C221-Y232 VanDerWaalsContact SG-N 3.42Å; H230-Y232 HydrophobicContact CB-CE2 3.9Å; Y232-F238 CarbonylContact O-C 3.41Å; Y232-F238 WeakPolarHBondContact O-CA 3.03Å; Y232-L239 PolarHBondContact N-O 3.02Å; Y232-L239 PolarHBondContact O-N 3.45Å; Y232-Q241 HydrophobicContact CD2-CB 4.29Å; Y232-Q241 HydrophobicContact CE2-CB 3.79Å; Y232-Q241 PolarHBondContact OH-OE1 2.88Å |
| 233 | N | 87.3 | Confident | 86.8 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132 | 176.8 | -169.1 | 51.1 | 0 | 0 | 0 | 110.6 | D217 V218 N219 E220 C221 | D217-N233 PolarHBondContact OD2-ND2 3Å; V218-N233 PolarHBondContact O-OD1 2.9Å; N219-N233 WeakPolarHBondContact CA-OD1 3.35Å; N219-N233 VanDerWaalsContact OD1-CB 3.32Å; N219-N233 WeakPolarHBondContact OD1-CB 3.22Å; E220-N233 PolarHBondContact OE2-OD1 3.36Å; C221-N233 PolarHBondContact SG-N 3.1Å |
| 234 | L | 87.7 | Confident | 87.3 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 161.5 | 176.9 | -56.6 | 177.4 | 0 | 0 | 0 | 109.2 | G236 S237 L239 | L234-G236 PolarHBondContact O-N 2.82Å; L234-S237 CarbonylContact C-O 3.41Å; L234-S237 WeakPolarHBondContact CA-O 3.37Å; L234-S237 VanDerWaalsContact CB-O 3.28Å; L234-S237 WeakPolarHBondContact CB-O 3.44Å; L234-S237 PolarHBondContact N-O 2.05Å; L234-S237 PolarHBondContact O-N 2.87Å; L234-L239 HydrophobicContact CD1-CB 3.96Å |
| 235 | I | 84.9 | Confident | 88.6 | Confident | 97 Ų | 97 | 59.4 Ų | 59.4 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 111 | 177.1 | -67 | 172 | 0 | 0 | 0 | 109.4 | Y77 Y206 | Y77-I235 HydrophobicContact CE2-CD1 4.2Å; Y206-I235 HydrophobicContact CE1-CG2 4.25Å; Y206-I235 WeakPolarHBondContact OH-CG2 3.44Å |
| 236 | G | 83.9 | Confident | 90.1 | Very high | 19 Ų | 19 | 56 Ų | 56 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 9.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y206 D217 L234 | Y206-G236 VanDerWaalsContact CZ-CA 3.48Å; Y206-G236 PolarHBondContact OH-N 2.8Å; D217-G236 PolarHBondContact OD1-N 3.33Å; L234-G236 PolarHBondContact O-N 2.82Å |
| 237 | S | 88.1 | Confident | 90.6 | Very high | 51 Ų | 51 | 60 Ų | 60 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | -178 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | L234 | L234-S237 CarbonylContact C-O 3.41Å; L234-S237 WeakPolarHBondContact CA-O 3.37Å; L234-S237 VanDerWaalsContact CB-O 3.28Å; L234-S237 WeakPolarHBondContact CB-O 3.44Å; L234-S237 PolarHBondContact N-O 2.05Å; L234-S237 PolarHBondContact O-N 2.87Å |
| 238 | F | 89.1 | Confident | 90.8 | Very high | 69 Ų | 69 | 62 Ų | 62 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 164.9 | 170.2 | 63.6 | -79 | 0 | 0 | 0 | 110.5 | E220 T226 Y232 V253 | E220-F238 HydrophobicContact CB-CB 4.05Å; E220-F238 HydrophobicContact CB-CD1 3.53Å; E220-F238 HydrophobicContact CB-CE1 4.18Å; E220-F238 HydrophobicContact CB-CG 3.85Å; E220-F238 HydrophobicContact CG-CD1 3.61Å; E220-F238 HydrophobicContact CG-CE1 4.17Å; E220-F238 HydrophobicContact CG-CG 4.39Å; T226-F238 HydrophobicContact CG2-CD1 4.32Å; T226-F238 HydrophobicContact CG2-CD2 3.55Å; T226-F238 HydrophobicContact CG2-CE1 4.05Å; T226-F238 HydrophobicContact CG2-CE2 3.23Å; T226-F238 HydrophobicContact CG2-CG 4.1Å; T226-F238 HydrophobicContact CG2-CZ 3.5Å; Y232-F238 CarbonylContact O-C 3.41Å; Y232-F238 WeakPolarHBondContact O-CA 3.03Å; F238-V253 HydrophobicContact CE2-CG1 4.08Å; F238-V253 HydrophobicContact CZ-CG1 4.24Å |
| 239 | L | 89.3 | Confident | 90.8 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125.2 | 174.2 | 177.7 | 66.2 | 0 | 0 | 0 | 109.5 | L70 Y232 L234 | L70-L239 HydrophobicContact CD2-CD2 3.77Å; Y232-L239 PolarHBondContact N-O 3.02Å; Y232-L239 PolarHBondContact O-N 3.45Å; L234-L239 HydrophobicContact CD1-CB 3.96Å |
| 240 | C | 92.6 | Very high | 90.9 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 139.1 | 166.7 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | C227 H230 L248 K252 | C227-C240 VanDerWaalsContact CA-SG 3.53Å; C227-C240 HydrophobicContact CB-CB 3.69Å; C227-C240 WeakPolarHBondContact CB-SG 3.33Å; C227-C240 WeakPolarHBondContact SG-CA 3.29Å; C227-C240 WeakPolarHBondContact SG-CB 3.03Å; C227-C240 CovalentContact SG-SG 2.02Å; C227-C240 PolarHBondContact SG-SG 3.31Å; H230-C240 CarbonylContact O-C 3.59Å; H230-C240 VanDerWaalsContact O-CA 3.3Å; H230-C240 WeakPolarHBondContact O-CA 3.5Å; C240-L248 HydrophobicContact CB-CD1 3.85Å; C240-K252 WeakPolarHBondContact CB-O 3.48Å; C240-K252 PolarHBondContact SG-O 2.04Å; C240-K252 VanDerWaalsContact SG-O 3.38Å |
| 241 | Q | 92.8 | Very high | 90.9 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.9 | 172.8 | -177.6 | 176.5 | 6.9 | 0 | 0 | 109 | H229 H230 Y232 | H229-Q241 WeakPolarHBondContact CB-O 3.45Å; H230-Q241 HydrophobicContact CB-CB 4.23Å; H230-Q241 WeakPolarHBondContact CB-O 3.39Å; H230-Q241 PolarHBondContact N-O 3.38Å; H230-Q241 PolarHBondContact O-N 2.79Å; Y232-Q241 HydrophobicContact CD2-CB 4.29Å; Y232-Q241 HydrophobicContact CE2-CB 3.79Å; Y232-Q241 PolarHBondContact OH-OE1 2.88Å |
| 242 | C | 94.5 | Very high | 90.8 | Very high | 19 Ų | 19 | 66 Ų | 66 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 145.5 | 177.2 | -58.8 | 0 | 0 | 0 | 0 | 111 | F246 C255 | C242-F246 HydrophobicContact CB-CB 3.8Å; C242-C255 WeakPolarHBondContact CA-SG 3.47Å; C242-C255 HydrophobicContact CB-CB 3.72Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 WeakPolarHBondContact SG-CA 3.37Å; C242-C255 WeakPolarHBondContact SG-CB 3.34Å; C242-C255 CovalentContact SG-SG 2.03Å; C242-C255 PolarHBondContact SG-SG 3.11Å |
| 243 | D | 94.2 | Very high | 90.8 | Very high | 65 Ų | 65 | 64.2 Ų | 64.2 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -52 | 158.1 | 166.5 | -61.7 | 0.4 | 0 | 0 | 0 | 112.2 | H229 H230 G245 F246 | H229-D243 WeakPolarHBondContact CB-OD1 3.07Å; H229-D243 IonicContact CG-OD1 3.13Å; H229-D243 PolarHBondContact ND1-N 2.64Å; H229-D243 VanDerWaalsContact ND1-N 3.19Å; H229-D243 IonicContact ND1-OD1 3.08Å; H230-D243 IonicContact CD2-OD1 2.63Å; H230-D243 PolarHBondContact CD2-OD1 2.74Å; H230-D243 IonicContact NE2-OD1 2.81Å; H230-D243 PolarHBondContact NE2-OD1 3.12Å; D243-G245 PolarHBondContact O-N 3.49Å; D243-F246 HydrophobicContact CB-CD2 4.22Å; D243-F246 WeakPolarHBondContact O-CB 3.48Å; D243-F246 PolarHBondContact O-N 3.04Å; D243-F246 VanDerWaalsContact O-N 3.13Å |
| 244 | H | 90.8 | Very high | 91.1 | Very high | 157 Ų | 157 | 63.7 Ų | 63.7 | 73% | 0.727 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 139.7 | 173.8 | -79.2 | -78.4 | 0 | 0 | 0 | 111.6 | F246 | H244-F246 VanDerWaalsContact C-N 3.31Š|
| 245 | G | 90.6 | Very high | 91.5 | Very high | 17 Ų | 17 | 62 Ų | 62 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 1.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | D243 I258 | D243-G245 PolarHBondContact O-N 3.49Å; G245-I258 WeakPolarHBondContact O-CB 3.48Å; G245-I258 PolarHBondContact O-N 3.19Å |
| 246 | F | 94.7 | Very high | 92 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.9 | 175.3 | -63.7 | -96.6 | 0 | 0 | 0 | 111.4 | H229 C242 D243 H244 C255 E256 D257 P276 G277 | H229-F246 AromaticContact CE1-CD2 3.91Å; H229-F246 AromaticContact CE1-CG 3.81Å; C242-F246 HydrophobicContact CB-CB 3.8Å; D243-F246 HydrophobicContact CB-CD2 4.22Å; D243-F246 WeakPolarHBondContact O-CB 3.48Å; D243-F246 PolarHBondContact O-N 3.04Å; D243-F246 VanDerWaalsContact O-N 3.13Å; H244-F246 VanDerWaalsContact C-N 3.31Å; F246-C255 HydrophobicContact CB-CB 4.14Å; F246-C255 HydrophobicContact CD1-CB 4.48Å; F246-E256 CarbonylContact C-O 3.51Å; F246-E256 WeakPolarHBondContact CA-O 3.05Å; F246-E256 WeakPolarHBondContact CB-O 3.39Å; F246-D257 HydrophobicContact CD1-CB 4.1Å; F246-D257 HydrophobicContact CE1-CB 3.89Å; F246-P276 HydrophobicContact CZ-CB 4.16Å; F246-G277 VanDerWaalsContact CZ-N 3.31Å |
| 247 | E | 93.7 | Very high | 92.6 | Very high | 114 Ų | 114 | 63.8 Ų | 63.8 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.8 | 172.4 | 65.2 | 176.3 | -173.3 | 0 | 0 | 111.9 | A249 C255 E256 I258 | E247-A249 PolarHBondContact O-N 3.17Å; E247-C255 WeakPolarHBondContact O-CA 3.3Å; E247-E256 PolarHBondContact N-O 3.49Å; E247-E256 PolarHBondContact O-N 2.85Å; E247-I258 HydrophobicContact CB-CD1 4.21Å; E247-I258 HydrophobicContact CB-CG1 4Å; E247-I258 HydrophobicContact CG-CG1 4.09Å |
| 248 | L | 94.6 | Very high | 92.9 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 122 | -179.4 | -167.1 | 72.5 | 0 | 0 | 0 | 109.8 | C240 K252 | C240-L248 HydrophobicContact CB-CD1 3.85Å; L248-K252 HydrophobicContact CD2-CB 4.18Å |
| 249 | A | 93.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | trans | -64.7 | 164 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E247 D251 K252 S254 E256 | E247-A249 PolarHBondContact O-N 3.17Å; A249-D251 PolarHBondContact O-N 2.74Å; A249-K252 PolarHBondContact O-N 3.18Å; A249-S254 WeakPolarHBondContact CB-O 3.17Å; A249-S254 PolarHBondContact N-O 2.82Å; A249-E256 HydrophobicContact CB-CG 4.07Å | ||
| 250 | P | 92.9 | Very high | 93.3 | Very high | 126 Ų | 126 | 62 Ų | 62 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.5 | -179.3 | -26.2 | 35.6 | 0 | 0 | 0 | 115.1 | K252 | P250-K252 PolarHBondContact O-N 3.4Š|
| 251 | D | 91.2 | Very high | 93.2 | Very high | 87 Ų | 87 | 63.3 Ų | 63.3 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.5 | 175.1 | 66.2 | 10 | 0 | 0 | 0 | 113.7 | A249 V253 S254 | A249-D251 PolarHBondContact O-N 2.74Å; D251-V253 HydrophobicContact CB-CG2 4Å; D251-V253 PolarHBondContact O-N 3.43Å; D251-V253 WeakPolarHBondContact OD1-CG2 3.03Å; D251-V253 PolarHBondContact OD1-N 3.07Å; D251-S254 PolarHBondContact OD1-N 3.28Å; D251-S254 WeakPolarHBondContact OD2-CB 3.25Å; D251-S254 PolarHBondContact OD2-OG 3.31Å |
| 252 | K | 89.7 | Confident | 93.2 | Very high | 151 Ų | 151 | 64.9 Ų | 64.9 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 64.3 | 14.3 | -179.8 | -50.8 | -180 | -179.1 | 179.7 | 0 | 114.9 | C240 L248 A249 P250 | C240-K252 WeakPolarHBondContact CB-O 3.48Å; C240-K252 PolarHBondContact SG-O 2.04Å; C240-K252 VanDerWaalsContact SG-O 3.38Å; L248-K252 HydrophobicContact CD2-CB 4.18Å; A249-K252 PolarHBondContact O-N 3.18Å; P250-K252 PolarHBondContact O-N 3.4Å |
| 253 | V | 91.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 69.8 Ų | 69.8 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -128.9 | -32.2 | -177.3 | -67.5 | 0 | 0 | 0 | 0 | 113 | T226 Q228 F238 D251 | T226-V253 WeakPolarHBondContact O-CB 3.07Å; T226-V253 VanDerWaalsContact O-CG1 3.25Å; T226-V253 WeakPolarHBondContact O-CG1 3.41Å; Q228-V253 PolarHBondContact N-O 3.34Å; F238-V253 HydrophobicContact CE2-CG1 4.08Å; F238-V253 HydrophobicContact CZ-CG1 4.24Å; D251-V253 HydrophobicContact CB-CG2 4Å; D251-V253 PolarHBondContact O-N 3.43Å; D251-V253 WeakPolarHBondContact OD1-CG2 3.03Å; D251-V253 PolarHBondContact OD1-N 3.07Å |
| 254 | S | 93.7 | Very high | 92.1 | Very high | 45 Ų | 45 | 68.6 Ų | 68.6 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | trans | -90.9 | 153.2 | 177.3 | -73.4 | 0 | 0 | 0 | 0 | 111.9 | A249 D251 | A249-S254 WeakPolarHBondContact CB-O 3.17Å; A249-S254 PolarHBondContact N-O 2.82Å; D251-S254 PolarHBondContact OD1-N 3.28Å; D251-S254 WeakPolarHBondContact OD2-CB 3.25Å; D251-S254 PolarHBondContact OD2-OG 3.31Å | ||
| 255 | C | 95.7 | Very high | 91.3 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.1 | 178.6 | -66.1 | 0 | 0 | 0 | 0 | 109 | Q228 H229 C242 F246 E247 | Q228-C255 HydrophobicContact CB-CB 4.4Å; Q228-C255 HydrophobicContact CG-CB 4.39Å; Q228-C255 PolarHBondContact NE2-O 2.7Å; Q228-C255 VanDerWaalsContact NE2-O 3.11Å; Q228-C255 PolarHBondContact OE1-O 3.03Å; H229-C255 PolarHBondContact ND1-SG 3Å; H229-C255 VanDerWaalsContact ND1-SG 3.4Å; C242-C255 WeakPolarHBondContact CA-SG 3.47Å; C242-C255 HydrophobicContact CB-CB 3.72Å; C242-C255 WeakPolarHBondContact CB-SG 3.44Å; C242-C255 WeakPolarHBondContact SG-CA 3.37Å; C242-C255 WeakPolarHBondContact SG-CB 3.34Å; C242-C255 CovalentContact SG-SG 2.03Å; C242-C255 PolarHBondContact SG-SG 3.11Å; F246-C255 HydrophobicContact CB-CB 4.14Å; F246-C255 HydrophobicContact CD1-CB 4.48Å; E247-C255 WeakPolarHBondContact O-CA 3.3Å |
| 256 | E | 95.4 | Very high | 90.7 | Very high | 106 Ų | 106 | 76.4 Ų | 76.4 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 138.5 | 178 | -72.2 | 178 | -171.7 | 0 | 0 | 109.6 | F246 E247 A249 | F246-E256 CarbonylContact C-O 3.51Å; F246-E256 WeakPolarHBondContact CA-O 3.05Å; F246-E256 WeakPolarHBondContact CB-O 3.39Å; E247-E256 PolarHBondContact N-O 3.49Å; E247-E256 PolarHBondContact O-N 2.85Å; A249-E256 HydrophobicContact CB-CG 4.07Å |
| 257 | D | 96.8 | Very high | 90.3 | Very high | 49 Ų | 49 | 76.3 Ų | 76.3 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.4 | 178.7 | -178.5 | 59.7 | 0 | 0 | 0 | 110.6 | F246 D259 N274 P276 G277 | F246-D257 HydrophobicContact CD1-CB 4.1Å; F246-D257 HydrophobicContact CE1-CB 3.89Å; D257-D259 PolarHBondContact O-N 2.02Å; D257-N274 PolarHBondContact OD2-ND2 2.89Å; D257-P276 WeakPolarHBondContact OD1-CA 3.35Å; D257-G277 PolarHBondContact OD1-N 2.86Å |
| 258 | I | 93.9 | Very high | 90.1 | Very high | 47 Ų | 47 | 71.4 Ų | 71.4 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | trans | -82 | 110.4 | 176.7 | -62.3 | 171.6 | 0 | 0 | 0 | 107.8 | G245 E247 E260 L263 | G245-I258 WeakPolarHBondContact O-CB 3.48Å; G245-I258 PolarHBondContact O-N 3.19Å; E247-I258 HydrophobicContact CB-CD1 4.21Å; E247-I258 HydrophobicContact CB-CG1 4Å; E247-I258 HydrophobicContact CG-CG1 4.09Å; I258-E260 HydrophobicContact CG2-CG 4.39Å; I258-E260 PolarHBondContact O-N 3.24Å; I258-E260 VanDerWaalsContact O-OE2 3.04Å; I258-L263 HydrophobicContact CG2-CD1 3.53Å; I258-L263 HydrophobicContact CG2-CG 4.48Å | ||
| 259 | D | 93.4 | Very high | 89.8 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 31% | 0.31 | 38% | 0.383 | S | S | . | . | trans | -74.1 | 92.3 | 175 | -178.6 | -6.2 | 0 | 0 | 0 | 111.2 | D257 C261 S262 L263 | D257-D259 PolarHBondContact O-N 2.02Å; D259-C261 PolarHBondContact O-N 3.25Å; D259-C261 WeakPolarHBondContact OD1-CA 3.21Å; D259-C261 VanDerWaalsContact OD1-CB 3.3Å; D259-C261 WeakPolarHBondContact OD1-CB 3.4Å; D259-C261 PolarHBondContact OD1-N 3.11Å; D259-C261 VanDerWaalsContact OD1-N 3.07Å; D259-S262 VanDerWaalsContact CG-OG 3.25Å; D259-S262 PolarHBondContact O-N 3.27Å; D259-S262 VanDerWaalsContact O-N 3.12Å; D259-S262 PolarHBondContact OD1-N 3.26Å; D259-S262 WeakPolarHBondContact OD2-CB 3.28Å; D259-S262 PolarHBondContact OD2-OG 3.36Å; D259-L263 PolarHBondContact O-N 2.79Å | ||
| 260 | E | 92.3 | Very high | 89.6 | Confident | 24 Ų | 24 | 76 Ų | 76 | 11% | 0.112 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.1 | -25 | -178.1 | -53.5 | 93.3 | 155.6 | 0 | 0 | 112.6 | I258 S262 L263 S264 M267 N274 S278 Y279 | I258-E260 HydrophobicContact CG2-CG 4.39Å; I258-E260 PolarHBondContact O-N 3.24Å; I258-E260 VanDerWaalsContact O-OE2 3.04Å; E260-S262 VanDerWaalsContact C-N 3.29Å; E260-S262 PolarHBondContact O-N 2.9Å; E260-L263 PolarHBondContact O-N 2.96Å; E260-S264 PolarHBondContact O-N 3.11Å; E260-M267 WeakPolarHBondContact O-CG 3.42Å; E260-N274 PolarHBondContact OE2-OD1 3.33Å; E260-N274 VanDerWaalsContact OE2-OD1 3.11Å; E260-S278 VanDerWaalsContact OE1-CA 3.28Å; E260-S278 WeakPolarHBondContact OE1-CA 3.38Å; E260-S278 VanDerWaalsContact OE2-C 3.23Å; E260-Y279 HydrophobicContact CB-CD1 3.62Å; E260-Y279 HydrophobicContact CB-CE1 4.28Å; E260-Y279 HydrophobicContact CB-CG 4.07Å; E260-Y279 HydrophobicContact CG-CD1 3.73Å; E260-Y279 HydrophobicContact CG-CE1 4.33Å; E260-Y279 WeakPolarHBondContact OE2-CB 3.06Å |
| 261 | C | 92.1 | Very high | 89.6 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 22% | 0.216 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.8 | -30.9 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | D259 C272 V273 N274 | D259-C261 PolarHBondContact O-N 3.25Å; D259-C261 WeakPolarHBondContact OD1-CA 3.21Å; D259-C261 VanDerWaalsContact OD1-CB 3.3Å; D259-C261 WeakPolarHBondContact OD1-CB 3.4Å; D259-C261 PolarHBondContact OD1-N 3.11Å; D259-C261 VanDerWaalsContact OD1-N 3.07Å; C261-C272 WeakPolarHBondContact CA-SG 3.47Å; C261-C272 HydrophobicContact CB-CB 3.73Å; C261-C272 WeakPolarHBondContact CB-SG 3.25Å; C261-C272 WeakPolarHBondContact SG-CB 3.47Å; C261-C272 CovalentContact SG-SG 2.04Å; C261-C272 PolarHBondContact SG-SG 3.05Å; C261-V273 VanDerWaalsContact SG-C 3.54Å; C261-V273 PolarHBondContact SG-N 3.03Å; C261-V273 VanDerWaalsContact SG-N 3.43Å; C261-N274 PolarHBondContact SG-N 3.44Å |
| 262 | S | 91.4 | Very high | 89.7 | Confident | 96 Ų | 96 | 71.7 Ų | 71.7 | 67% | 0.671 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -79.7 | -23.3 | 173.8 | -72.5 | 0 | 0 | 0 | 0 | 113.2 | D259 E260 | D259-S262 VanDerWaalsContact CG-OG 3.25Å; D259-S262 PolarHBondContact O-N 3.27Å; D259-S262 VanDerWaalsContact O-N 3.12Å; D259-S262 PolarHBondContact OD1-N 3.26Å; D259-S262 WeakPolarHBondContact OD2-CB 3.28Å; D259-S262 PolarHBondContact OD2-OG 3.36Å; E260-S262 VanDerWaalsContact C-N 3.29Å; E260-S262 PolarHBondContact O-N 2.9Å |
| 263 | L | 85.9 | Confident | 89.9 | Confident | 122 Ų | 122 | 66.7 Ų | 66.7 | 64% | 0.639 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -74.6 | -34.8 | -180 | -69.8 | 178.6 | 0 | 0 | 0 | 113.5 | I258 D259 E260 | I258-L263 HydrophobicContact CG2-CD1 3.53Å; I258-L263 HydrophobicContact CG2-CG 4.48Å; D259-L263 PolarHBondContact O-N 2.79Å; E260-L263 PolarHBondContact O-N 2.96Å |
| 264 | S | 79.7 | Confident | 90 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | trans | -154.1 | 131.4 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 112.7 | E260 Y266 M267 | E260-S264 PolarHBondContact O-N 3.11Å; S264-Y266 PolarHBondContact O-N 2.72Å; S264-Y266 PolarHBondContact OG-N 2.84Å; S264-M267 WeakPolarHBondContact O-CG 3.44Å; S264-M267 PolarHBondContact O-N 3.36Å | ||
| 265 | T | 74.3 | Confident | 90.1 | Very high | 131 Ų | 131 | 67.2 Ų | 67.2 | 80% | 0.804 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.2 | 173.7 | -44.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 266 | Y | 78.8 | Confident | 90 | Very high | 208 Ų | 208 | 72.3 Ų | 72.3 | 82% | 0.816 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 11.9 | -176.6 | -53.1 | -74.4 | 0 | 0 | 0 | 113.8 | S264 C268 | S264-Y266 PolarHBondContact O-N 2.72Å; S264-Y266 PolarHBondContact OG-N 2.84Å; Y266-C268 VanDerWaalsContact C-N 3.34Å |
| 267 | M | 85.9 | Confident | 89.8 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 21% | 0.207 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -64.9 | -37.7 | 178.9 | -74.2 | -55.9 | 177.1 | 0 | 0 | 112.8 | E260 S264 Y279 R293 | E260-M267 WeakPolarHBondContact O-CG 3.42Å; S264-M267 WeakPolarHBondContact O-CG 3.44Å; S264-M267 PolarHBondContact O-N 3.36Å; M267-Y279 HydrophobicContact CB-CE2 4.26Å; M267-R293 WeakPolarHBondContact O-CD 3.33Å; M267-R293 VanDerWaalsContact O-CG 3.25Å; M267-R293 WeakPolarHBondContact O-CG 3.47Å |
| 268 | C | 89.5 | Confident | 89.6 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -125.4 | 150.1 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | Y266 Y270 C272 C281 | Y266-C268 VanDerWaalsContact C-N 3.34Å; C268-Y270 VanDerWaalsContact C-N 3.29Å; C268-Y270 PolarHBondContact O-N 3.11Å; C268-C272 HydrophobicContact CB-CB 4.1Å; C268-C272 WeakPolarHBondContact SG-CA 2.99Å; C268-C272 WeakPolarHBondContact SG-CB 3.49Å; C268-C281 VanDerWaalsContact CA-SG 3.55Å; C268-C281 HydrophobicContact CB-CB 3.67Å; C268-C281 WeakPolarHBondContact CB-SG 3.42Å; C268-C281 WeakPolarHBondContact SG-CA 3.43Å; C268-C281 WeakPolarHBondContact SG-CB 3.49Å; C268-C281 CovalentContact SG-SG 2.02Å; C268-C281 PolarHBondContact SG-SG 3.48Å |
| 269 | Q | 88.6 | Confident | 89.6 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -68.2 | -29 | 175.8 | -174.4 | 174.4 | 8.2 | 0 | 0 | 112.8 | R293 L294 C295 F456 | Q269-R293 WeakPolarHBondContact CB-O 3.41Å; Q269-R293 PolarHBondContact N-O 2.92Å; Q269-L294 HydrophobicContact CB-CD2 4.33Å; Q269-C295 PolarHBondContact OE1-O 3.21Å; Q269-F456 HydrophobicContact CG-CD1 3.7Å; Q269-F456 HydrophobicContact CG-CE1 4.18Å; Q269-F456 HydrophobicContact CG-CG 4.44Å |
| 270 | Y | 89.4 | Confident | 89.6 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 41% | 0.408 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -121.9 | -82.7 | 179.3 | -173.5 | -115.4 | 0 | 0 | 0 | 113.2 | C268 E282 P284 Y454 F456 | C268-Y270 VanDerWaalsContact C-N 3.29Å; C268-Y270 PolarHBondContact O-N 3.11Å; Y270-E282 WeakPolarHBondContact CD1-O 3Å; Y270-P284 HydrophobicContact CD1-CB 4.15Å; Y270-P284 HydrophobicContact CD1-CG 4.21Å; Y270-P284 HydrophobicContact CD2-CG 4.37Å; Y270-P284 HydrophobicContact CE1-CB 3.82Å; Y270-P284 HydrophobicContact CE1-CG 4.32Å; Y270-P284 HydrophobicContact CE2-CB 4.45Å; Y270-P284 HydrophobicContact CE2-CG 4.47Å; Y270-P284 HydrophobicContact CG-CG 4.23Å; Y270-Y454 AromaticContact CE2-CD1 3.77Å; Y270-Y454 HydrophobicContact CE2-CD1 3.77Å; Y270-Y454 HydrophobicContact CE2-CE1 4.01Å; Y270-Y454 AromaticContact CZ-CE1 4Å; Y270-F456 AromaticContact CD2-CE1 3.55Å; Y270-F456 HydrophobicContact CD2-CE1 3.55Å; Y270-F456 AromaticContact CD2-CZ 3.53Å; Y270-F456 HydrophobicContact CD2-CZ 3.53Å; Y270-F456 HydrophobicContact CE2-CZ 4.38Å; Y270-F456 AromaticContact CG-CE1 3.93Å; Y270-F456 HydrophobicContact CG-CE1 3.93Å; Y270-F456 AromaticContact CG-CZ 3.84Å; Y270-F456 HydrophobicContact CG-CZ 3.84Å |
| 271 | Q | 91.4 | Very high | 89.7 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 40% | 0.402 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.9 | -174.9 | -178.1 | 177 | -35.9 | 0 | 0 | 109.8 | V273 C281 E282 | Q271-V273 HydrophobicContact CG-CG2 4.37Å; Q271-C281 WeakPolarHBondContact O-CA 3.46Å; Q271-E282 HydrophobicContact CB-CB 4.32Å; Q271-E282 PolarHBondContact N-O 3.35Å; Q271-E282 PolarHBondContact NE2-OE2 3.44Å; Q271-E282 VanDerWaalsContact NE2-OE2 3.09Å; Q271-E282 PolarHBondContact O-N 2.92Å |
| 272 | C | 94.1 | Very high | 89.8 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 25% | 0.25 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.3 | 172.2 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | C261 C268 | C261-C272 WeakPolarHBondContact CA-SG 3.47Å; C261-C272 HydrophobicContact CB-CB 3.73Å; C261-C272 WeakPolarHBondContact CB-SG 3.25Å; C261-C272 WeakPolarHBondContact SG-CB 3.47Å; C261-C272 CovalentContact SG-SG 2.04Å; C261-C272 PolarHBondContact SG-SG 3.05Å; C268-C272 HydrophobicContact CB-CB 4.1Å; C268-C272 WeakPolarHBondContact SG-CA 2.99Å; C268-C272 WeakPolarHBondContact SG-CB 3.49Å |
| 273 | V | 94.1 | Very high | 89.9 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 28% | 0.279 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 114.3 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | C261 Q271 Y279 S280 E282 | C261-V273 VanDerWaalsContact SG-C 3.54Å; C261-V273 PolarHBondContact SG-N 3.03Å; C261-V273 VanDerWaalsContact SG-N 3.43Å; Q271-V273 HydrophobicContact CG-CG2 4.37Å; V273-Y279 WeakPolarHBondContact O-CA 3.03Å; V273-S280 PolarHBondContact N-O 3.13Å; V273-S280 PolarHBondContact O-N 3.4Å; V273-E282 HydrophobicContact CG2-CG 4.05Å |
| 274 | N | 94.3 | Very high | 90.3 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 141.5 | 177.9 | -172.4 | 40.3 | 0 | 0 | 0 | 111 | D257 E260 C261 S278 | D257-N274 PolarHBondContact OD2-ND2 2.89Å; E260-N274 PolarHBondContact OE2-OD1 3.33Å; E260-N274 VanDerWaalsContact OE2-OD1 3.11Å; C261-N274 PolarHBondContact SG-N 3.44Å; N274-S278 PolarHBondContact OD1-O 2.84Å |
| 275 | T | 94.5 | Very high | 90.9 | Very high | 45 Ų | 45 | 68.6 Ų | 68.6 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 154.2 | -179.3 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | G277 S278 Y279 | T275-G277 PolarHBondContact O-N 2.91Å; T275-S278 CarbonylContact C-O 3.5Å; T275-S278 VanDerWaalsContact C-O 3.3Å; T275-S278 WeakPolarHBondContact CA-O 3.34Å; T275-S278 PolarHBondContact N-O 3.37Å; T275-S278 CarbonylContact O-C 3.59Å; T275-S278 PolarHBondContact O-N 2.95Å; T275-S278 PolarHBondContact OG1-O 2.98Å; T275-Y279 PolarHBondContact OG1-N 2.03Å |
| 276 | P | 94.1 | Very high | 91.7 | Very high | 115 Ų | 115 | 63 Ų | 63 | 75% | 0.747 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 115.8 | 178.4 | -25.5 | 35.6 | 0 | 0 | 0 | 112.5 | F246 D257 | F246-P276 HydrophobicContact CZ-CB 4.16Å; D257-P276 WeakPolarHBondContact OD1-CA 3.35Å |
| 277 | G | 91.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 54 Ų | 54 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 3.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F246 D257 T275 | F246-G277 VanDerWaalsContact CZ-N 3.31Å; D257-G277 PolarHBondContact OD1-N 2.86Å; T275-G277 PolarHBondContact O-N 2.91Å |
| 278 | S | 92.7 | Very high | 92.8 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | -169.2 | -178.8 | -152.8 | 0 | 0 | 0 | 0 | 113.2 | E260 N274 T275 | E260-S278 VanDerWaalsContact OE1-CA 3.28Å; E260-S278 WeakPolarHBondContact OE1-CA 3.38Å; E260-S278 VanDerWaalsContact OE2-C 3.23Å; N274-S278 PolarHBondContact OD1-O 2.84Å; T275-S278 CarbonylContact C-O 3.5Å; T275-S278 VanDerWaalsContact C-O 3.3Å; T275-S278 WeakPolarHBondContact CA-O 3.34Å; T275-S278 PolarHBondContact N-O 3.37Å; T275-S278 CarbonylContact O-C 3.59Å; T275-S278 PolarHBondContact O-N 2.95Å; T275-S278 PolarHBondContact OG1-O 2.98Å |
| 279 | Y | 93.4 | Very high | 93 | Very high | 49 Ų | 49 | 59 Ų | 59 | 19% | 0.192 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 162.5 | 169.4 | 63.9 | -73.5 | 0 | 0 | 0 | 110.6 | E260 M267 V273 T275 R293 | E260-Y279 HydrophobicContact CB-CD1 3.62Å; E260-Y279 HydrophobicContact CB-CE1 4.28Å; E260-Y279 HydrophobicContact CB-CG 4.07Å; E260-Y279 HydrophobicContact CG-CD1 3.73Å; E260-Y279 HydrophobicContact CG-CE1 4.33Å; E260-Y279 WeakPolarHBondContact OE2-CB 3.06Å; M267-Y279 HydrophobicContact CB-CE2 4.26Å; V273-Y279 WeakPolarHBondContact O-CA 3.03Å; T275-Y279 PolarHBondContact OG1-N 2.03Å; Y279-R293 VanDerWaalsContact OH-CZ 3.29Å; Y279-R293 PolarHBondContact OH-NE 2.88Å; Y279-R293 PolarHBondContact OH-NH2 3.19Å |
| 280 | S | 92.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.9 | 172.4 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | V273 | V273-S280 PolarHBondContact N-O 3.13Å; V273-S280 PolarHBondContact O-N 3.4Å |
| 281 | C | 94.5 | Very high | 92.9 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.9 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 110 | C268 Q271 L289 N292 | C268-C281 VanDerWaalsContact CA-SG 3.55Å; C268-C281 HydrophobicContact CB-CB 3.67Å; C268-C281 WeakPolarHBondContact CB-SG 3.42Å; C268-C281 WeakPolarHBondContact SG-CA 3.43Å; C268-C281 WeakPolarHBondContact SG-CB 3.49Å; C268-C281 CovalentContact SG-SG 2.02Å; C268-C281 PolarHBondContact SG-SG 3.48Å; Q271-C281 WeakPolarHBondContact O-CA 3.46Å; C281-L289 HydrophobicContact CB-CD1 3.75Å; C281-N292 WeakPolarHBondContact CB-O 3.44Å; C281-N292 PolarHBondContact SG-O 3.48Å |
| 282 | E | 93.8 | Very high | 92.6 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.9 | 175.8 | -65.6 | -175.5 | 162 | 0 | 0 | 110 | Y270 Q271 V273 | Y270-E282 WeakPolarHBondContact CD1-O 3Å; Q271-E282 HydrophobicContact CB-CB 4.32Å; Q271-E282 PolarHBondContact N-O 3.35Å; Q271-E282 PolarHBondContact NE2-OE2 3.44Å; Q271-E282 VanDerWaalsContact NE2-OE2 3.09Å; Q271-E282 PolarHBondContact O-N 2.92Å; V273-E282 HydrophobicContact CG2-CG 4.05Å |
| 283 | C | 94.3 | Very high | 92.3 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 147.3 | 174.7 | -67.6 | 0 | 0 | 0 | 0 | 110.5 | C295 | C283-C295 WeakPolarHBondContact CA-SG 3.3Å; C283-C295 HydrophobicContact CB-CB 3.84Å; C283-C295 WeakPolarHBondContact CB-SG 3.34Å; C283-C295 WeakPolarHBondContact SG-CA 3.44Å; C283-C295 WeakPolarHBondContact SG-CB 3.25Å; C283-C295 CovalentContact SG-SG 2.05Å; C283-C295 PolarHBondContact SG-SG 3.06Å |
| 284 | P | 93.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 66.6 Ų | 66.6 | 7% | 0.071 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -71 | 170.9 | 177.3 | 32.5 | -35.5 | 0 | 0 | 0 | 111.2 | Y270 G286 Y287 Y454 F456 | Y270-P284 HydrophobicContact CD1-CB 4.15Å; Y270-P284 HydrophobicContact CD1-CG 4.21Å; Y270-P284 HydrophobicContact CD2-CG 4.37Å; Y270-P284 HydrophobicContact CE1-CB 3.82Å; Y270-P284 HydrophobicContact CE1-CG 4.32Å; Y270-P284 HydrophobicContact CE2-CB 4.45Å; Y270-P284 HydrophobicContact CE2-CG 4.47Å; Y270-P284 HydrophobicContact CG-CG 4.23Å; P284-G286 PolarHBondContact O-N 3.3Å; P284-Y287 HydrophobicContact CG-CD2 3.74Å; P284-Y287 HydrophobicContact CG-CE2 4.32Å; P284-Y287 HydrophobicContact CG-CG 4.23Å; P284-Y287 WeakPolarHBondContact O-CB 3.46Å; P284-Y287 PolarHBondContact O-N 3.38Å; P284-Y287 VanDerWaalsContact O-N 3.1Å; P284-Y454 HydrophobicContact CB-CD1 4.23Å; P284-Y454 HydrophobicContact CB-CD2 3.94Å; P284-Y454 HydrophobicContact CB-CE1 3.72Å; P284-Y454 HydrophobicContact CB-CE2 3.4Å; P284-Y454 HydrophobicContact CB-CG 4.33Å; P284-Y454 HydrophobicContact CG-CD1 4.22Å; P284-Y454 HydrophobicContact CG-CD2 3.62Å; P284-Y454 HydrophobicContact CG-CE1 4.21Å; P284-Y454 HydrophobicContact CG-CE2 3.62Å; P284-Y454 HydrophobicContact CG-CG 3.94Å; P284-F456 HydrophobicContact CG-CE2 3.72Å; P284-F456 HydrophobicContact CG-CZ 3.53Å |
| 285 | Q | 92.1 | Very high | 92.1 | Very high | 173 Ų | 173 | 64.5 Ų | 64.5 | 81% | 0.808 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 136 | 174.7 | -173.8 | 178.6 | 1.9 | 0 | 0 | 111.8 | Y287 | Q285-Y287 VanDerWaalsContact C-N 3.34Š|
| 286 | G | 92.1 | Very high | 92 | Very high | 12 Ų | 12 | 66 Ų | 66 | 12% | 0.124 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 1.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | P284 I298 | P284-G286 PolarHBondContact O-N 3.3Å; G286-I298 WeakPolarHBondContact O-CB 3.46Å; G286-I298 PolarHBondContact O-N 2.83Å |
| 287 | Y | 94.6 | Very high | 92 | Very high | 19 Ų | 19 | 62 Ų | 62 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 150.4 | 178.2 | -67.4 | -102.5 | 0 | 0 | 0 | 111.3 | P284 Q285 C295 Q296 D297 Y318 G319 Y454 F456 | P284-Y287 HydrophobicContact CG-CD2 3.74Å; P284-Y287 HydrophobicContact CG-CE2 4.32Å; P284-Y287 HydrophobicContact CG-CG 4.23Å; P284-Y287 WeakPolarHBondContact O-CB 3.46Å; P284-Y287 PolarHBondContact O-N 3.38Å; P284-Y287 VanDerWaalsContact O-N 3.1Å; Q285-Y287 VanDerWaalsContact C-N 3.34Å; Y287-C295 HydrophobicContact CD1-CB 4.1Å; Y287-C295 HydrophobicContact CG-CB 4.4Å; Y287-Q296 CarbonylContact C-O 3.57Å; Y287-Q296 VanDerWaalsContact CA-O 3.23Å; Y287-Q296 WeakPolarHBondContact CA-O 3.05Å; Y287-Q296 VanDerWaalsContact CD1-C 3.49Å; Y287-D297 HydrophobicContact CD1-CB 4.35Å; Y287-D297 HydrophobicContact CE1-CB 4.06Å; Y287-Y318 WeakPolarHBondContact OH-CB 3.34Å; Y287-G319 PolarHBondContact OH-N 3.28Å; Y287-Y454 HydrophobicContact CD2-CD2 4.39Å; Y287-Y454 AromaticContact CE2-CD2 3.83Å; Y287-Y454 HydrophobicContact CE2-CD2 3.83Å; Y287-Y454 HydrophobicContact CE2-CE2 4.46Å; Y287-F456 HydrophobicContact CD1-CD2 4.36Å; Y287-F456 HydrophobicContact CD1-CE2 4.12Å; Y287-F456 HydrophobicContact CD2-CE2 4.2Å; Y287-F456 AromaticContact CE1-CD2 3.74Å; Y287-F456 HydrophobicContact CE1-CD2 3.74Å; Y287-F456 AromaticContact CE1-CE2 3.85Å; Y287-F456 HydrophobicContact CE1-CE2 3.85Å; Y287-F456 HydrophobicContact CE2-CD2 4.39Å; Y287-F456 AromaticContact CE2-CE2 3.91Å; Y287-F456 HydrophobicContact CE2-CE2 3.91Å; Y287-F456 HydrophobicContact CG-CE2 4.3Å; Y287-F456 AromaticContact CZ-CD2 3.75Å; Y287-F456 AromaticContact CZ-CE2 3.74Å |
| 288 | Q | 93.6 | Very high | 92.2 | Very high | 87 Ų | 87 | 62.9 Ų | 62.9 | 41% | 0.407 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 148.1 | 173.1 | 64.6 | 179 | 16.3 | 0 | 0 | 110.7 | Q290 Q296 I298 | Q288-Q290 PolarHBondContact O-N 2.02Å; Q288-Q296 HydrophobicContact CG-CB 4.46Å; Q288-Q296 PolarHBondContact N-O 2.62Å; Q288-Q296 PolarHBondContact O-N 3.38Å; Q288-I298 HydrophobicContact CB-CD1 4.22Å; Q288-I298 HydrophobicContact CB-CG1 3.96Å; Q288-I298 HydrophobicContact CG-CG1 4.06Å |
| 289 | L | 94.1 | Very high | 92.3 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 121.9 | 177.2 | -166.9 | 71.7 | 0 | 0 | 0 | 109.5 | C281 L294 | C281-L289 HydrophobicContact CB-CD1 3.75Å; L289-L294 CarbonylContact C-O 3.59Å; L289-L294 WeakPolarHBondContact CA-O 3.23Å |
| 290 | Q | 90.8 | Very high | 92.4 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.2 | 174.8 | -167.2 | -175.9 | 18.9 | 0 | 0 | 109.5 | Q288 N292 L294 Q296 | Q288-Q290 PolarHBondContact O-N 2.02Å; Q290-N292 PolarHBondContact O-N 2.95Å; Q290-L294 PolarHBondContact N-O 3.29Å; Q290-Q296 HydrophobicContact CB-CB 4.1Å |
| 291 | G | 83.9 | Confident | 92.6 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 66% | 0.66 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -118.2 | -164.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 292 | N | 85.1 | Confident | 92.6 | Very high | 126 Ų | 126 | 67 Ų | 67 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.5 | -0.2 | -179 | -66.3 | -20.8 | 0 | 0 | 0 | 114.4 | C281 Q290 | C281-N292 WeakPolarHBondContact CB-O 3.44Å; C281-N292 PolarHBondContact SG-O 3.48Å; Q290-N292 PolarHBondContact O-N 2.95Å |
| 293 | R | 89.3 | Confident | 92.7 | Very high | 121 Ų | 121 | 68 Ų | 68 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | -22.3 | -170.5 | -64 | -178 | 176.8 | 170 | 1.5 | 115.4 | M267 Q269 Y279 | M267-R293 WeakPolarHBondContact O-CD 3.33Å; M267-R293 VanDerWaalsContact O-CG 3.25Å; M267-R293 WeakPolarHBondContact O-CG 3.47Å; Q269-R293 WeakPolarHBondContact CB-O 3.41Å; Q269-R293 PolarHBondContact N-O 2.92Å; Y279-R293 VanDerWaalsContact OH-CZ 3.29Å; Y279-R293 PolarHBondContact OH-NE 2.88Å; Y279-R293 PolarHBondContact OH-NH2 3.19Å |
| 294 | L | 90.4 | Very high | 92.6 | Very high | 98 Ų | 98 | 69.1 Ų | 69.1 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 142.3 | -173.2 | -61.4 | 177 | 0 | 0 | 0 | 110.5 | Q269 L289 Q290 | Q269-L294 HydrophobicContact CB-CD2 4.33Å; L289-L294 CarbonylContact C-O 3.59Å; L289-L294 WeakPolarHBondContact CA-O 3.23Å; Q290-L294 PolarHBondContact N-O 3.29Å |
| 295 | C | 93.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 72.8 Ų | 72.8 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.1 | 175.5 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | Q269 C283 Y287 | Q269-C295 PolarHBondContact OE1-O 3.21Å; C283-C295 WeakPolarHBondContact CA-SG 3.3Å; C283-C295 HydrophobicContact CB-CB 3.84Å; C283-C295 WeakPolarHBondContact CB-SG 3.34Å; C283-C295 WeakPolarHBondContact SG-CA 3.44Å; C283-C295 WeakPolarHBondContact SG-CB 3.25Å; C283-C295 CovalentContact SG-SG 2.05Å; C283-C295 PolarHBondContact SG-SG 3.06Å; Y287-C295 HydrophobicContact CD1-CB 4.1Å; Y287-C295 HydrophobicContact CG-CB 4.4Å |
| 296 | Q | 92.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.8 | 175.8 | -169.7 | 177.7 | 29 | 0 | 0 | 109.6 | Y287 Q288 Q290 I298 | Y287-Q296 CarbonylContact C-O 3.57Å; Y287-Q296 VanDerWaalsContact CA-O 3.23Å; Y287-Q296 WeakPolarHBondContact CA-O 3.05Å; Y287-Q296 VanDerWaalsContact CD1-C 3.49Å; Q288-Q296 HydrophobicContact CG-CB 4.46Å; Q288-Q296 PolarHBondContact N-O 2.62Å; Q288-Q296 PolarHBondContact O-N 3.38Å; Q290-Q296 HydrophobicContact CB-CB 4.1Å; Q296-I298 PolarHBondContact O-N 3Å |
| 297 | D | 94.4 | Very high | 93 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 16% | 0.16 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 133.5 | 174 | -177.3 | 64.4 | 0 | 0 | 0 | 110.9 | Y287 N299 N316 Y317 Y318 G319 | Y287-D297 HydrophobicContact CD1-CB 4.35Å; Y287-D297 HydrophobicContact CE1-CB 4.06Å; D297-N299 PolarHBondContact O-N 3.4Å; D297-N316 PolarHBondContact OD2-ND2 2.04Å; D297-Y317 VanDerWaalsContact OD1-O 3.12Å; D297-Y318 HydrophobicContact CB-CD1 4.4Å; D297-Y318 WeakPolarHBondContact OD1-CA 3.28Å; D297-G319 PolarHBondContact OD1-N 2.86Å |
| 298 | I | 95.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 72.8 Ų | 72.8 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | trans | -82.4 | 114 | 173.6 | -63.1 | 171.2 | 0 | 0 | 0 | 106.9 | G286 Q288 Q296 E300 M303 N316 | G286-I298 WeakPolarHBondContact O-CB 3.46Å; G286-I298 PolarHBondContact O-N 2.83Å; Q288-I298 HydrophobicContact CB-CD1 4.22Å; Q288-I298 HydrophobicContact CB-CG1 3.96Å; Q288-I298 HydrophobicContact CG-CG1 4.06Å; Q296-I298 PolarHBondContact O-N 3Å; I298-E300 HydrophobicContact CG2-CG 4.22Å; I298-E300 PolarHBondContact O-N 3.4Å; I298-M303 HydrophobicContact CG2-SD 3.74Å; I298-N316 PolarHBondContact O-OD1 3.18Å | ||
| 299 | N | 95.3 | Very high | 93.2 | Very high | 35 Ų | 35 | 74.6 Ų | 74.6 | 19% | 0.187 | 40% | 0.404 | C | S | . | . | trans | -81 | 90.5 | 176.1 | -171 | -23.1 | 0 | 0 | 0 | 110.6 | D297 C301 E302 M303 N316 | D297-N299 PolarHBondContact O-N 3.4Å; N299-C301 PolarHBondContact O-N 2.03Å; N299-C301 WeakPolarHBondContact OD1-CB 3.33Å; N299-C301 PolarHBondContact OD1-N 2.83Å; N299-E302 HydrophobicContact CB-CB 4.12Å; N299-E302 HydrophobicContact CB-CG 4.46Å; N299-E302 VanDerWaalsContact ND2-CG 3.29Å; N299-E302 WeakPolarHBondContact ND2-CG 3.05Å; N299-E302 PolarHBondContact ND2-OE1 3.32Å; N299-E302 PolarHBondContact ND2-OE2 2.73Å; N299-E302 PolarHBondContact O-N 3.24Å; N299-E302 PolarHBondContact OD1-N 2.85Å; N299-M303 WeakPolarHBondContact O-CB 3.36Å; N299-M303 WeakPolarHBondContact O-CG 3.09Å; N299-M303 PolarHBondContact O-N 3.07Å; N299-N316 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 300 | E | 96 | Very high | 93 | Very high | 20 Ų | 20 | 78.6 Ų | 78.6 | 9% | 0.093 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.8 | -24.1 | -176.6 | -57.2 | 93.6 | 159.5 | 0 | 0 | 112.8 | I298 G304 T305 H306 N316 G320 F321 | I298-E300 HydrophobicContact CG2-CG 4.22Å; I298-E300 PolarHBondContact O-N 3.4Å; E300-G304 PolarHBondContact O-N 3.24Å; E300-T305 WeakPolarHBondContact CA-OG1 3.46Å; E300-T305 VanDerWaalsContact CB-OG1 3.31Å; E300-T305 WeakPolarHBondContact CB-OG1 3.4Å; E300-T305 PolarHBondContact O-N 3.27Å; E300-H306 HydrophobicContact CB-CB 4.4Å; E300-H306 PolarHBondContact O-CD2 2.04Å; E300-N316 PolarHBondContact OE2-OD1 3.05Å; E300-N316 VanDerWaalsContact OE2-OD1 3.07Å; E300-G320 WeakPolarHBondContact OE1-CA 3.36Å; E300-G320 VanDerWaalsContact OE2-C 3.25Å; E300-F321 HydrophobicContact CB-CB 4.12Å; E300-F321 HydrophobicContact CB-CD1 3.56Å; E300-F321 HydrophobicContact CB-CE1 4.25Å; E300-F321 HydrophobicContact CB-CG 3.98Å; E300-F321 HydrophobicContact CG-CD1 3.6Å; E300-F321 HydrophobicContact CG-CE1 4.22Å; E300-F321 HydrophobicContact CG-CG 4.44Å; E300-F321 WeakPolarHBondContact OE2-CB 3.49Å; E300-F321 PolarHBondContact OE2-N 3.24Å |
| 301 | C | 95.7 | Very high | 93.1 | Very high | 35 Ų | 35 | 79.8 Ų | 79.8 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70.5 | -39.9 | 175.5 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | N299 C314 W315 N316 | N299-C301 PolarHBondContact O-N 2.03Å; N299-C301 WeakPolarHBondContact OD1-CB 3.33Å; N299-C301 PolarHBondContact OD1-N 2.83Å; C301-C314 WeakPolarHBondContact CA-SG 3.44Å; C301-C314 HydrophobicContact CB-CB 3.77Å; C301-C314 WeakPolarHBondContact CB-SG 3.06Å; C301-C314 WeakPolarHBondContact SG-CB 3.46Å; C301-C314 CovalentContact SG-SG 2.04Å; C301-C314 PolarHBondContact SG-SG 3.5Å; C301-W315 VanDerWaalsContact SG-C 3.51Å; C301-W315 PolarHBondContact SG-N 3.08Å; C301-W315 VanDerWaalsContact SG-N 3.42Å; C301-N316 HydrophobicContact CB-CB 4.42Å; C301-N316 PolarHBondContact SG-N 2.81Å |
| 302 | E | 95.8 | Very high | 93.6 | Very high | 162 Ų | 162 | 79.2 Ų | 79.2 | 76% | 0.757 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -77.5 | -36.9 | 176.4 | -76.8 | 176.3 | -169.9 | 0 | 0 | 112 | N299 G304 | N299-E302 HydrophobicContact CB-CB 4.12Å; N299-E302 HydrophobicContact CB-CG 4.46Å; N299-E302 VanDerWaalsContact ND2-CG 3.29Å; N299-E302 WeakPolarHBondContact ND2-CG 3.05Å; N299-E302 PolarHBondContact ND2-OE1 3.32Å; N299-E302 PolarHBondContact ND2-OE2 2.73Å; N299-E302 PolarHBondContact O-N 3.24Å; N299-E302 PolarHBondContact OD1-N 2.85Å; E302-G304 VanDerWaalsContact C-N 3.27Å; E302-G304 PolarHBondContact O-N 3.02Å |
| 303 | M | 94.5 | Very high | 93.9 | Very high | 116 Ų | 116 | 76.1 Ų | 76.1 | 57% | 0.571 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -76.5 | -14.2 | 178.5 | -65.4 | -169.4 | 72.1 | 0 | 0 | 113.3 | I298 N299 T305 | I298-M303 HydrophobicContact CG2-SD 3.74Å; N299-M303 WeakPolarHBondContact O-CB 3.36Å; N299-M303 WeakPolarHBondContact O-CG 3.09Å; N299-M303 PolarHBondContact O-N 3.07Å; M303-T305 VanDerWaalsContact C-N 3.27Å; M303-T305 HydrophobicContact CB-CG2 4.08Å; M303-T305 PolarHBondContact O-N 3.42Å |
| 304 | G | 93.5 | Very high | 94.2 | Very high | 53 Ų | 53 | 71.9 Ų | 71.9 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 26.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E300 E302 | E300-G304 PolarHBondContact O-N 3.24Å; E302-G304 VanDerWaalsContact C-N 3.27Å; E302-G304 PolarHBondContact O-N 3.02Å |
| 305 | T | 94.7 | Very high | 94.4 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | trans | -94.3 | -1.2 | 179.1 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | E300 M303 | E300-T305 WeakPolarHBondContact CA-OG1 3.46Å; E300-T305 VanDerWaalsContact CB-OG1 3.31Å; E300-T305 WeakPolarHBondContact CB-OG1 3.4Å; E300-T305 PolarHBondContact O-N 3.27Å; M303-T305 VanDerWaalsContact C-N 3.27Å; M303-T305 HydrophobicContact CB-CG2 4.08Å; M303-T305 PolarHBondContact O-N 3.42Å | ||
| 306 | H | 94.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 71.7 Ų | 71.7 | 30% | 0.296 | 38% | 0.379 | S | S | . | . | trans | -70.8 | 158.5 | 175.3 | 69.1 | 76.8 | 0 | 0 | 0 | 112.9 | E300 C308 F321 | E300-H306 HydrophobicContact CB-CB 4.4Å; E300-H306 PolarHBondContact O-CD2 2.04Å; H306-C308 WeakPolarHBondContact ND1-CB 3.34Å; H306-C308 PolarHBondContact ND1-N 3.35Å; H306-F321 HydrophobicContact CB-CD1 4.43Å; H306-F321 HydrophobicContact CB-CD2 3.57Å; H306-F321 HydrophobicContact CB-CE1 4.39Å; H306-F321 HydrophobicContact CB-CE2 3.53Å; H306-F321 HydrophobicContact CB-CG 4.05Å; H306-F321 HydrophobicContact CB-CZ 3.96Å | ||
| 307 | D | 96.2 | Very high | 94.5 | Very high | 121 Ų | 121 | 70.3 Ų | 70.3 | 65% | 0.647 | 37% | 0.371 | S | S | * | . | trans | -108.4 | 17 | 178.5 | 64.8 | -10.7 | 0 | 0 | 0 | 114 | F321 | D307-F321 WeakPolarHBondContact OD1-CE2 3.05Å; D307-F321 WeakPolarHBondContact OD1-CZ 3.42Å | ||
| 308 | C | 95.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 72.9 Ų | 72.9 | 14% | 0.135 | 38% | 0.379 | C | S | . | . | trans | -58.6 | 141.4 | 176.4 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | H306 E312 C323 | H306-C308 WeakPolarHBondContact ND1-CB 3.34Å; H306-C308 PolarHBondContact ND1-N 3.35Å; C308-E312 HydrophobicContact CB-CB 4.18Å; C308-C323 WeakPolarHBondContact CA-SG 3.4Å; C308-C323 HydrophobicContact CB-CB 3.7Å; C308-C323 WeakPolarHBondContact CB-SG 3.41Å; C308-C323 PolarHBondContact N-SG 3.42Å; C308-C323 VanDerWaalsContact SG-CA 3.54Å; C308-C323 WeakPolarHBondContact SG-CB 3.32Å; C308-C323 CovalentContact SG-SG 2.03Å; C308-C323 PolarHBondContact SG-SG 3.06Å | ||
| 309 | Q | 95.8 | Very high | 94.3 | Very high | 124 Ų | 124 | 71.8 Ų | 71.8 | 58% | 0.579 | 38% | 0.378 | S | S | * | . | trans | -73.8 | 165.8 | 176.5 | -56.2 | -61.3 | -47.9 | 0 | 0 | 112.2 | D311 E312 | Q309-D311 VanDerWaalsContact C-N 3.27Å; Q309-D311 WeakPolarHBondContact CB-OD1 3.49Å; Q309-D311 PolarHBondContact O-N 2.98Å; Q309-E312 HydrophobicContact CB-CG 4.14Å; Q309-E312 PolarHBondContact N-OE2 3.01Å; Q309-E312 WeakPolarHBondContact O-CB 3.02Å; Q309-E312 PolarHBondContact O-N 2.91Å | ||
| 310 | D | 90.9 | Very high | 94.2 | Very high | 155 Ų | 155 | 70.4 Ų | 70.4 | 83% | 0.829 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.9 | -179.5 | -73.5 | -30 | 0 | 0 | 0 | 113.3 | E312 R326 | D310-E312 PolarHBondContact O-N 3.13Å; D310-R326 PolarHBondContact O-NE 3.19Å |
| 311 | D | 92.2 | Very high | 94.1 | Very high | 114 Ų | 114 | 72 Ų | 72 | 61% | 0.61 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 3.2 | 177.3 | 67 | -39.8 | 0 | 0 | 0 | 113.7 | Q309 R326 | Q309-D311 VanDerWaalsContact C-N 3.27Å; Q309-D311 WeakPolarHBondContact CB-OD1 3.49Å; Q309-D311 PolarHBondContact O-N 2.98Å; D311-R326 WeakPolarHBondContact O-CB 3.35Å; D311-R326 VanDerWaalsContact O-CG 3.3Å; D311-R326 WeakPolarHBondContact O-CG 3Å; D311-R326 PolarHBondContact O-N 2.72Å |
| 312 | E | 94.8 | Very high | 94 | Very high | 53 Ų | 53 | 75.2 Ų | 75.2 | 25% | 0.248 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 159.1 | 176.3 | -62.3 | 178.2 | 143.8 | 0 | 0 | 111.5 | C308 Q309 D310 C323 Y324 R326 | C308-E312 HydrophobicContact CB-CB 4.18Å; Q309-E312 HydrophobicContact CB-CG 4.14Å; Q309-E312 PolarHBondContact N-OE2 3.01Å; Q309-E312 WeakPolarHBondContact O-CB 3.02Å; Q309-E312 PolarHBondContact O-N 2.91Å; D310-E312 PolarHBondContact O-N 3.13Å; E312-C323 HydrophobicContact CB-CB 4.16Å; E312-C323 HydrophobicContact CG-CB 4.47Å; E312-C323 WeakPolarHBondContact OE2-CB 3.37Å; E312-Y324 CarbonylContact C-O 3.55Å; E312-Y324 VanDerWaalsContact CA-O 3.3Å; E312-Y324 WeakPolarHBondContact CA-O 3.49Å; E312-R326 PolarHBondContact O-NE 3.16Å; E312-R326 VanDerWaalsContact O-NE 3.11Å |
| 313 | M | 92.5 | Very high | 94 | Very high | 61 Ų | 61 | 69 Ų | 69 | 30% | 0.3 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.7 | 167.9 | 80.6 | 178.8 | 80.3 | 0 | 0 | 108.3 | C323 Y324 R326 | M313-C323 WeakPolarHBondContact O-CA 3.41Å; M313-Y324 PolarHBondContact N-O 2.85Å; M313-Y324 PolarHBondContact O-N 2.81Å; M313-R326 HydrophobicContact CB-CG 4.43Å |
| 314 | C | 95.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 135 | 171.9 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | C301 | C301-C314 WeakPolarHBondContact CA-SG 3.44Å; C301-C314 HydrophobicContact CB-CB 3.77Å; C301-C314 WeakPolarHBondContact CB-SG 3.06Å; C301-C314 WeakPolarHBondContact SG-CB 3.46Å; C301-C314 CovalentContact SG-SG 2.04Å; C301-C314 PolarHBondContact SG-SG 3.5Å |
| 315 | W | 94.3 | Very high | 93.9 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 116.2 | 172.1 | -173.8 | -85.6 | 0 | 0 | 0 | 110.3 | C301 F321 R322 Y324 Y360 I450 | C301-W315 VanDerWaalsContact SG-C 3.51Å; C301-W315 PolarHBondContact SG-N 3.08Å; C301-W315 VanDerWaalsContact SG-N 3.42Å; W315-F321 CarbonylContact O-C 3.38Å; W315-F321 WeakPolarHBondContact O-CA 3.38Å; W315-R322 PolarHBondContact N-O 2.81Å; W315-R322 PolarHBondContact O-N 3.35Å; W315-Y324 HydrophobicContact CB-CD2 3.68Å; W315-Y324 HydrophobicContact CB-CE2 3.81Å; W315-Y324 HydrophobicContact CG-CD2 4.33Å; W315-Y324 HydrophobicContact CG-CE2 4.11Å; W315-Y360 HydrophobicContact CD2-CG 4.42Å; W315-Y360 WeakPolarHBondContact CH2-O 3.28Å; W315-Y360 VanDerWaalsContact CZ2-O 3.22Å; W315-Y360 WeakPolarHBondContact CZ2-O 3.24Å; W315-I450 VanDerWaalsContact CD1-CD1 3.44Å; W315-I450 HydrophobicContact CG-CD1 4.45Å |
| 316 | N | 94.4 | Very high | 93.6 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 17% | 0.166 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 142.3 | 178.4 | -169.4 | 54.4 | 0 | 0 | 0 | 111.4 | D297 I298 N299 E300 C301 G320 | D297-N316 PolarHBondContact OD2-ND2 2.04Å; I298-N316 PolarHBondContact O-OD1 3.18Å; N299-N316 WeakPolarHBondContact OD1-CB 3.48Å; E300-N316 PolarHBondContact OE2-OD1 3.05Å; E300-N316 VanDerWaalsContact OE2-OD1 3.07Å; C301-N316 HydrophobicContact CB-CB 4.42Å; C301-N316 PolarHBondContact SG-N 2.81Å; N316-G320 PolarHBondContact OD1-O 3.46Å |
| 317 | Y | 93.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 69.5 Ų | 69.5 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 166.8 | 171.6 | 69 | -93.7 | 0 | 0 | 0 | 110.9 | D297 G319 G320 F321 R322 I450 | D297-Y317 VanDerWaalsContact OD1-O 3.12Å; Y317-G319 PolarHBondContact O-N 2.84Å; Y317-G320 CarbonylContact C-O 3.2Å; Y317-G320 WeakPolarHBondContact CA-O 3.42Å; Y317-G320 WeakPolarHBondContact CD1-O 3.08Å; Y317-G320 WeakPolarHBondContact CE1-O 3.42Å; Y317-G320 VanDerWaalsContact CG-O 3.31Å; Y317-G320 PolarHBondContact N-O 2.92Å; Y317-G320 CarbonylContact O-C 3.54Å; Y317-G320 PolarHBondContact O-N 2.04Å; Y317-F321 VanDerWaalsContact CE1-C 3.4Å; Y317-F321 WeakPolarHBondContact CE1-O 3.22Å; Y317-R322 HydrophobicContact CD1-CB 4.45Å; Y317-R322 HydrophobicContact CE1-CB 4.15Å; Y317-I450 HydrophobicContact CD1-CD1 4.3Å; Y317-I450 HydrophobicContact CD1-CG2 3.71Å; Y317-I450 HydrophobicContact CD2-CG2 3.64Å; Y317-I450 HydrophobicContact CE1-CG2 4.13Å; Y317-I450 HydrophobicContact CE2-CG2 4.09Å; Y317-I450 HydrophobicContact CG-CB 4.27Å; Y317-I450 HydrophobicContact CG-CG2 3.45Å; Y317-I450 VanDerWaalsContact CG-CG2 3.45Å |
| 318 | Y | 92.9 | Very high | 93.2 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 108.1 | -179.2 | -67.3 | -72.1 | 0 | 0 | 0 | 112.4 | Y287 D297 Q364 G452 | Y287-Y318 WeakPolarHBondContact OH-CB 3.34Å; D297-Y318 HydrophobicContact CB-CD1 4.4Å; D297-Y318 WeakPolarHBondContact OD1-CA 3.28Å; Y318-Q364 HydrophobicContact CD1-CG 4.04Å; Y318-Q364 HydrophobicContact CD2-CG 3.98Å; Y318-Q364 HydrophobicContact CE1-CG 4.14Å; Y318-Q364 HydrophobicContact CE2-CG 4.09Å; Y318-Q364 HydrophobicContact CG-CG 3.95Å; Y318-G452 WeakPolarHBondContact O-CA 3.21Å |
| 319 | G | 91.4 | Very high | 93 | Very high | 19 Ų | 19 | 65 Ų | 65 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 11.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y287 D297 Y317 | Y287-G319 PolarHBondContact OH-N 3.28Å; D297-G319 PolarHBondContact OD1-N 2.86Å; Y317-G319 PolarHBondContact O-N 2.84Å |
| 320 | G | 93.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.8 | -171.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E300 N316 Y317 | E300-G320 WeakPolarHBondContact OE1-CA 3.36Å; E300-G320 VanDerWaalsContact OE2-C 3.25Å; N316-G320 PolarHBondContact OD1-O 3.46Å; Y317-G320 CarbonylContact C-O 3.2Å; Y317-G320 WeakPolarHBondContact CA-O 3.42Å; Y317-G320 WeakPolarHBondContact CD1-O 3.08Å; Y317-G320 WeakPolarHBondContact CE1-O 3.42Å; Y317-G320 VanDerWaalsContact CG-O 3.31Å; Y317-G320 PolarHBondContact N-O 2.92Å; Y317-G320 CarbonylContact O-C 3.54Å; Y317-G320 PolarHBondContact O-N 2.04Å |
| 321 | F | 94.7 | Very high | 92.6 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 163.9 | 177 | 70.2 | -78.7 | 0 | 0 | 0 | 112.4 | E300 H306 D307 W315 Y317 | E300-F321 HydrophobicContact CB-CB 4.12Å; E300-F321 HydrophobicContact CB-CD1 3.56Å; E300-F321 HydrophobicContact CB-CE1 4.25Å; E300-F321 HydrophobicContact CB-CG 3.98Å; E300-F321 HydrophobicContact CG-CD1 3.6Å; E300-F321 HydrophobicContact CG-CE1 4.22Å; E300-F321 HydrophobicContact CG-CG 4.44Å; E300-F321 WeakPolarHBondContact OE2-CB 3.49Å; E300-F321 PolarHBondContact OE2-N 3.24Å; H306-F321 HydrophobicContact CB-CD1 4.43Å; H306-F321 HydrophobicContact CB-CD2 3.57Å; H306-F321 HydrophobicContact CB-CE1 4.39Å; H306-F321 HydrophobicContact CB-CE2 3.53Å; H306-F321 HydrophobicContact CB-CG 4.05Å; H306-F321 HydrophobicContact CB-CZ 3.96Å; D307-F321 WeakPolarHBondContact OD1-CE2 3.05Å; D307-F321 WeakPolarHBondContact OD1-CZ 3.42Å; W315-F321 CarbonylContact O-C 3.38Å; W315-F321 WeakPolarHBondContact O-CA 3.38Å; Y317-F321 VanDerWaalsContact CE1-C 3.4Å; Y317-F321 WeakPolarHBondContact CE1-O 3.22Å |
| 322 | R | 93.9 | Very high | 92.5 | Very high | 102 Ų | 102 | 58.2 Ų | 58.2 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.5 | 170.8 | -159.2 | 171.7 | -166.6 | -142.9 | 22.8 | 111.6 | W315 Y317 Y324 E423 | W315-R322 PolarHBondContact N-O 2.81Å; W315-R322 PolarHBondContact O-N 3.35Å; Y317-R322 HydrophobicContact CD1-CB 4.45Å; Y317-R322 HydrophobicContact CE1-CB 4.15Å; R322-Y324 HydrophobicContact CB-CE2 4.09Å; R322-Y324 HydrophobicContact CG-CE2 4.34Å; R322-Y324 PolarHBondContact NH1-OH 3.27Å; R322-E423 WeakPolarHBondContact CD-OE1 3.44Å; R322-E423 IonicContact CZ-OE1 3.65Å; R322-E423 IonicContact CZ-OE2 3.98Å; R322-E423 IonicContact NE-OE1 3.53Å; R322-E423 PolarHBondContact NE-OE1 3.32Å; R322-E423 VanDerWaalsContact NE-OE1 3.16Å; R322-E423 IonicContact NH1-OE1 3.06Å; R322-E423 PolarHBondContact NH1-OE1 3.37Å; R322-E423 IonicContact NH1-OE2 3.8Å; R322-E423 PolarHBondContact NH1-OE2 2.04Å; R322-E423 IonicContact NH2-OE1 3.21Å; R322-E423 IonicContact NH2-OE2 2.74Å; R322-E423 PolarHBondContact NH2-OE2 3.29Å; R322-E423 VanDerWaalsContact NH2-OE2 3.13Å |
| 323 | C | 94.9 | Very high | 92.3 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.9 | 175.9 | -49.4 | 0 | 0 | 0 | 0 | 109.8 | C308 E312 M313 | C308-C323 WeakPolarHBondContact CA-SG 3.4Å; C308-C323 HydrophobicContact CB-CB 3.7Å; C308-C323 WeakPolarHBondContact CB-SG 3.41Å; C308-C323 PolarHBondContact N-SG 3.42Å; C308-C323 VanDerWaalsContact SG-CA 3.54Å; C308-C323 WeakPolarHBondContact SG-CB 3.32Å; C308-C323 CovalentContact SG-SG 2.03Å; C308-C323 PolarHBondContact SG-SG 3.06Å; E312-C323 HydrophobicContact CB-CB 4.16Å; E312-C323 HydrophobicContact CG-CB 4.47Å; E312-C323 WeakPolarHBondContact OE2-CB 3.37Å; M313-C323 WeakPolarHBondContact O-CA 3.41Å |
| 324 | Y | 92.5 | Very high | 92.3 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 6% | 0.059 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.9 | 175 | -72.3 | -72.6 | 0 | 0 | 0 | 110.2 | E312 M313 W315 R322 R326 Y360 E423 I450 | E312-Y324 CarbonylContact C-O 3.55Å; E312-Y324 VanDerWaalsContact CA-O 3.3Å; E312-Y324 WeakPolarHBondContact CA-O 3.49Å; M313-Y324 PolarHBondContact N-O 2.85Å; M313-Y324 PolarHBondContact O-N 2.81Å; W315-Y324 HydrophobicContact CB-CD2 3.68Å; W315-Y324 HydrophobicContact CB-CE2 3.81Å; W315-Y324 HydrophobicContact CG-CD2 4.33Å; W315-Y324 HydrophobicContact CG-CE2 4.11Å; R322-Y324 HydrophobicContact CB-CE2 4.09Å; R322-Y324 HydrophobicContact CG-CE2 4.34Å; R322-Y324 PolarHBondContact NH1-OH 3.27Å; Y324-R326 PolarHBondContact O-N 3.41Å; Y324-Y360 HydrophobicContact CD1-CD1 4.28Å; Y324-Y360 AromaticContact CD1-CE1 3.47Å; Y324-Y360 HydrophobicContact CD1-CE1 3.47Å; Y324-Y360 VanDerWaalsContact CD1-CE1 3.47Å; Y324-Y360 AromaticContact CD1-CZ 3.82Å; Y324-Y360 AromaticContact CD2-CD1 4Å; Y324-Y360 HydrophobicContact CD2-CD1 4Å; Y324-Y360 AromaticContact CD2-CE1 3.91Å; Y324-Y360 HydrophobicContact CD2-CE1 3.91Å; Y324-Y360 HydrophobicContact CD2-CG 4.43Å; Y324-Y360 AromaticContact CE1-CD1 3.91Å; Y324-Y360 HydrophobicContact CE1-CD1 3.91Å; Y324-Y360 AromaticContact CE1-CE1 3.37Å; Y324-Y360 HydrophobicContact CE1-CE1 3.37Å; Y324-Y360 AromaticContact CE2-CD1 3.6Å; Y324-Y360 HydrophobicContact CE2-CD1 3.6Å; Y324-Y360 AromaticContact CE2-CE1 3.81Å; Y324-Y360 HydrophobicContact CE2-CE1 3.81Å; Y324-Y360 HydrophobicContact CE2-CG 4.24Å; Y324-Y360 HydrophobicContact CG-CD1 4.31Å; Y324-Y360 AromaticContact CG-CE1 3.73Å; Y324-Y360 HydrophobicContact CG-CE1 3.73Å; Y324-Y360 HydrophobicContact CG-CE2 4.48Å; Y324-Y360 AromaticContact CG-CZ 3.82Å; Y324-Y360 AromaticContact CZ-CD1 3.54Å; Y324-Y360 AromaticContact CZ-CE1 3.53Å; Y324-E423 PolarHBondContact OH-OE1 3.37Å; Y324-E423 VanDerWaalsContact OH-OE1 3.04Å; Y324-I450 HydrophobicContact CE2-CD1 4.05Å; Y324-I450 WeakPolarHBondContact OH-CD1 3.16Å |
| 325 | P | 92.5 | Very high | 92.1 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 136.3 | 174.8 | -24 | 33.4 | 0 | 0 | 0 | 111.3 | N327 | P325-N327 PolarHBondContact O-N 3.38Å |
| 326 | R | 90.1 | Very high | 91.9 | Very high | 157 Ų | 157 | 55 Ų | 55 | 59% | 0.592 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -58.9 | -29.5 | 173.8 | -74.5 | 178.2 | -176.4 | -102 | -1.3 | 112.4 | D310 D311 E312 M313 Y324 P328 | D310-R326 PolarHBondContact O-NE 3.19Å; D311-R326 WeakPolarHBondContact O-CB 3.35Å; D311-R326 VanDerWaalsContact O-CG 3.3Å; D311-R326 WeakPolarHBondContact O-CG 3Å; D311-R326 PolarHBondContact O-N 2.72Å; E312-R326 PolarHBondContact O-NE 3.16Å; E312-R326 VanDerWaalsContact O-NE 3.11Å; M313-R326 HydrophobicContact CB-CG 4.43Å; Y324-R326 PolarHBondContact O-N 3.41Å; R326-P328 WeakPolarHBondContact O-CD 3.31Å |
| 327 | N | 91.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | trans | -107.7 | 96.5 | 170.8 | -177.3 | 7.8 | 0 | 0 | 0 | 110.5 | P325 C329 | P325-N327 PolarHBondContact O-N 3.38Å; N327-C329 PolarHBondContact O-N 3.34Å; N327-C329 VanDerWaalsContact OD1-CB 3.24Å; N327-C329 WeakPolarHBondContact OD1-CB 3.19Å; N327-C329 PolarHBondContact OD1-N 2.84Å; N327-C329 VanDerWaalsContact OD1-N 3.12Å; N327-C329 PolarHBondContact OD1-SG 2.81Å | ||
| 328 | P | 90.7 | Very high | 91.1 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | trans | -81.2 | -0.2 | 179.4 | 34.4 | -37.2 | 0 | 0 | 0 | 113.1 | R326 Y358 | R326-P328 WeakPolarHBondContact O-CD 3.31Å; P328-Y358 HydrophobicContact CB-CD1 4.16Å; P328-Y358 HydrophobicContact CB-CD2 3.98Å; P328-Y358 HydrophobicContact CB-CE2 4.39Å; P328-Y358 HydrophobicContact CB-CG 3.87Å; P328-Y358 HydrophobicContact CG-CD2 3.85Å; P328-Y358 HydrophobicContact CG-CG 4.02Å | ||
| 329 | C | 91.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 64.8 Ų | 64.8 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | trans | -73.1 | 133.8 | -173.9 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | N327 L335 C341 | N327-C329 PolarHBondContact O-N 3.34Å; N327-C329 VanDerWaalsContact OD1-CB 3.24Å; N327-C329 WeakPolarHBondContact OD1-CB 3.19Å; N327-C329 PolarHBondContact OD1-N 2.84Å; N327-C329 VanDerWaalsContact OD1-N 3.12Å; N327-C329 PolarHBondContact OD1-SG 2.81Å; C329-L335 VanDerWaalsContact SG-CA 3.58Å; C329-L335 VanDerWaalsContact SG-CD1 3.59Å; C329-C341 WeakPolarHBondContact CA-SG 3.34Å; C329-C341 HydrophobicContact CB-CB 3.82Å; C329-C341 WeakPolarHBondContact CB-SG 3.4Å; C329-C341 WeakPolarHBondContact SG-CA 3.07Å; C329-C341 WeakPolarHBondContact SG-CB 3.35Å; C329-C341 CovalentContact SG-SG 2.03Å; C329-C341 PolarHBondContact SG-SG 3.04Å | ||
| 330 | E | 88.4 | Confident | 90.6 | Very high | 73 Ų | 73 | 65.4 Ų | 65.4 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | trans | -59.4 | 156.2 | 169.4 | -65.7 | 177.1 | -156.1 | 0 | 0 | 111 | L332 Y333 R446 | E330-L332 PolarHBondContact O-N 3.24Å; E330-Y333 HydrophobicContact CB-CD2 3.99Å; E330-Y333 WeakPolarHBondContact O-CB 3.02Å; E330-Y333 PolarHBondContact O-N 2.95Å; E330-R446 IonicContact OE1-NH1 2.78Å; E330-R446 PolarHBondContact OE1-NH1 2.96Å | ||
| 331 | P | 89.3 | Confident | 90.5 | Very high | 109 Ų | 109 | 65.1 Ų | 65.1 | 71% | 0.708 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.1 | -171.4 | -29 | 35.6 | 0 | 0 | 0 | 116.2 | Y333 R344 | P331-Y333 VanDerWaalsContact C-N 3.29Å; P331-R344 PolarHBondContact O-NE 3.47Å; P331-R344 PolarHBondContact O-NH1 2.84Å; P331-R344 PolarHBondContact O-NH2 3.41Å |
| 332 | L | 89.9 | Confident | 90.3 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.3 | 178.4 | -63.6 | 178.1 | 0 | 0 | 0 | 113.9 | E330 R344 L352 | E330-L332 PolarHBondContact O-N 3.24Å; L332-R344 VanDerWaalsContact O-CG 3.32Å; L332-R344 WeakPolarHBondContact O-CG 3.34Å; L332-R344 PolarHBondContact O-N 3.15Å; L332-R344 VanDerWaalsContact O-N 3.11Å; L332-L352 HydrophobicContact CD1-CD1 3.99Å |
| 333 | Y | 90.5 | Very high | 90 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 158.6 | -177.8 | -67.5 | -99.6 | 0 | 0 | 0 | 111.1 | E330 P331 C341 I342 C343 R344 L352 P353 I356 | E330-Y333 HydrophobicContact CB-CD2 3.99Å; E330-Y333 WeakPolarHBondContact O-CB 3.02Å; E330-Y333 PolarHBondContact O-N 2.95Å; P331-Y333 VanDerWaalsContact C-N 3.29Å; Y333-C341 HydrophobicContact CD1-CB 4.06Å; Y333-C341 HydrophobicContact CG-CB 4.22Å; Y333-I342 CarbonylContact C-O 3.47Å; Y333-I342 VanDerWaalsContact CA-O 3.23Å; Y333-I342 WeakPolarHBondContact CA-O 2.97Å; Y333-I342 VanDerWaalsContact CD1-C 3.41Å; Y333-C343 HydrophobicContact CD1-CB 4.37Å; Y333-C343 HydrophobicContact CE1-CB 4.11Å; Y333-R344 PolarHBondContact O-NE 3.25Å; Y333-R344 VanDerWaalsContact O-NE 3.16Å; Y333-R344 PolarHBondContact O-NH2 3.47Å; Y333-L352 WeakPolarHBondContact OH-CB 3.41Å; Y333-P353 VanDerWaalsContact CE1-O 3.28Å; Y333-P353 WeakPolarHBondContact CE1-O 3.34Å; Y333-P353 PolarHBondContact OH-O 3.18Å; Y333-I356 HydrophobicContact CE1-CD1 3.93Å; Y333-I356 HydrophobicContact CE1-CG1 3.97Å; Y333-I356 HydrophobicContact CE2-CD1 3.97Å |
| 334 | T | 91.6 | Very high | 89.6 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 34% | 0.344 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.8 | 169.2 | 42.1 | 0 | 0 | 0 | 0 | 109.3 | C341 I342 R344 | T334-C341 WeakPolarHBondContact O-CA 3.21Å; T334-I342 PolarHBondContact N-O 2.85Å; T334-I342 PolarHBondContact O-N 2.71Å; T334-I342 WeakPolarHBondContact OG1-CG1 3.38Å; T334-I342 PolarHBondContact OG1-O 3.34Å; T334-R344 HydrophobicContact CG2-CG 3.59Å |
| 335 | L | 92 | Very high | 89.2 | Confident | 64 Ų | 64 | 68 Ų | 68 | 34% | 0.335 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125.3 | 174.8 | -171.5 | 66.1 | 0 | 0 | 0 | 109.2 | C329 | C329-L335 VanDerWaalsContact SG-CA 3.58Å; C329-L335 VanDerWaalsContact SG-CD1 3.59Å |
| 336 | T | 90.4 | Very high | 88.3 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 17% | 0.172 | 38% | 0.376 | C | S | . | . | trans | -86.8 | 166.4 | 172.1 | 71 | 0 | 0 | 0 | 0 | 111 | E338 N339 R340 I342 | T336-E338 PolarHBondContact O-N 2.9Å; T336-E338 VanDerWaalsContact O-N 3.1Å; T336-E338 PolarHBondContact OG1-N 3.24Å; T336-N339 PolarHBondContact O-N 3.16Å; T336-N339 VanDerWaalsContact O-N 3.12Å; T336-R340 WeakPolarHBondContact CG2-O 3.49Å; T336-R340 PolarHBondContact N-O 2.73Å; T336-R340 WeakPolarHBondContact OG1-CB 3.42Å; T336-R340 PolarHBondContact OG1-N 2.76Å; T336-R340 PolarHBondContact OG1-O 3.28Å; T336-I342 HydrophobicContact CG2-CB 4.3Å; T336-I342 HydrophobicContact CG2-CD1 3.63Å; T336-I342 HydrophobicContact CG2-CG1 3.67Å; T336-I342 HydrophobicContact CG2-CG2 3.74Å | ||
| 337 | S | 86.8 | Confident | 87.9 | Confident | 124 Ų | 124 | 67.8 Ų | 67.8 | 87% | 0.867 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -13.9 | 171.9 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | N339 | S337-N339 VanDerWaalsContact C-N 3.34Š|
| 338 | E | 83.3 | Confident | 87.3 | Confident | 127 Ų | 127 | 68.6 Ų | 68.6 | 59% | 0.593 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 19 | 177.4 | -63.2 | 176 | 177 | 0 | 0 | 112 | T336 R340 | T336-E338 PolarHBondContact O-N 2.9Å; T336-E338 VanDerWaalsContact O-N 3.1Å; T336-E338 PolarHBondContact OG1-N 3.24Å; E338-R340 PolarHBondContact O-N 2.96Å; E338-R340 IonicContact OE2-CZ 3.25Å; E338-R340 IonicContact OE2-NH1 3.1Å; E338-R340 PolarHBondContact OE2-NH1 2.03Å; E338-R340 IonicContact OE2-NH2 2.79Å; E338-R340 PolarHBondContact OE2-NH2 3.15Å |
| 339 | N | 85.7 | Confident | 86.6 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 52.8 | 38.2 | -175 | -72.9 | -0.8 | 0 | 0 | 0 | 113.8 | T336 S337 | T336-N339 PolarHBondContact O-N 3.16Å; T336-N339 VanDerWaalsContact O-N 3.12Å; S337-N339 VanDerWaalsContact C-N 3.34Å |
| 340 | R | 88.3 | Confident | 86 | Confident | 31 Ų | 31 | 75.4 Ų | 75.4 | 12% | 0.117 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134 | 177.1 | -179.4 | 172.6 | 60.3 | -115.3 | -3.5 | 109.7 | C7 T336 E338 I342 V357 | C7-R340 PolarHBondContact SG-NH1 2.62Å; T336-R340 WeakPolarHBondContact CG2-O 3.49Å; T336-R340 PolarHBondContact N-O 2.73Å; T336-R340 WeakPolarHBondContact OG1-CB 3.42Å; T336-R340 PolarHBondContact OG1-N 2.76Å; T336-R340 PolarHBondContact OG1-O 3.28Å; E338-R340 PolarHBondContact O-N 2.96Å; E338-R340 IonicContact OE2-CZ 3.25Å; E338-R340 IonicContact OE2-NH1 3.1Å; E338-R340 PolarHBondContact OE2-NH1 2.03Å; E338-R340 IonicContact OE2-NH2 2.79Å; E338-R340 PolarHBondContact OE2-NH2 3.15Å; R340-I342 HydrophobicContact CG-CG2 4.09Å; R340-V357 HydrophobicContact CB-CG2 4.41Å; R340-V357 HydrophobicContact CG-CG2 4.05Å |
| 341 | C | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 112.3 | 172 | -60.6 | 0 | 0 | 0 | 0 | 108.2 | C329 Y333 T334 S355 I356 Y358 | C329-C341 WeakPolarHBondContact CA-SG 3.34Å; C329-C341 HydrophobicContact CB-CB 3.82Å; C329-C341 WeakPolarHBondContact CB-SG 3.4Å; C329-C341 WeakPolarHBondContact SG-CA 3.07Å; C329-C341 WeakPolarHBondContact SG-CB 3.35Å; C329-C341 CovalentContact SG-SG 2.03Å; C329-C341 PolarHBondContact SG-SG 3.04Å; Y333-C341 HydrophobicContact CD1-CB 4.06Å; Y333-C341 HydrophobicContact CG-CB 4.22Å; T334-C341 WeakPolarHBondContact O-CA 3.21Å; C341-S355 CarbonylContact O-C 3.51Å; C341-S355 VanDerWaalsContact O-CA 3.24Å; C341-S355 WeakPolarHBondContact O-CA 3.06Å; C341-I356 HydrophobicContact CB-CB 4.28Å; C341-I356 WeakPolarHBondContact CB-O 3.44Å; C341-I356 PolarHBondContact N-O 3.03Å; C341-I356 PolarHBondContact O-N 3.44Å; C341-Y358 HydrophobicContact CB-CE2 4.26Å; C341-Y358 VanDerWaalsContact SG-CE2 3.51Å |
| 342 | I | 89.6 | Confident | 85.2 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 144.4 | 175.2 | 62.1 | 171.6 | 0 | 0 | 0 | 109.9 | Y333 T334 T336 R340 R344 | Y333-I342 CarbonylContact C-O 3.47Å; Y333-I342 VanDerWaalsContact CA-O 3.23Å; Y333-I342 WeakPolarHBondContact CA-O 2.97Å; Y333-I342 VanDerWaalsContact CD1-C 3.41Å; T334-I342 PolarHBondContact N-O 2.85Å; T334-I342 PolarHBondContact O-N 2.71Å; T334-I342 WeakPolarHBondContact OG1-CG1 3.38Å; T334-I342 PolarHBondContact OG1-O 3.34Å; T336-I342 HydrophobicContact CG2-CB 4.3Å; T336-I342 HydrophobicContact CG2-CD1 3.63Å; T336-I342 HydrophobicContact CG2-CG1 3.67Å; T336-I342 HydrophobicContact CG2-CG2 3.74Å; R340-I342 HydrophobicContact CG-CG2 4.09Å; I342-R344 PolarHBondContact O-N 3.29Å |
| 343 | C | 88.1 | Confident | 84.9 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 136.9 | 177.1 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | Y333 S345 C349 P354 | Y333-C343 HydrophobicContact CD1-CB 4.37Å; Y333-C343 HydrophobicContact CE1-CB 4.11Å; C343-S345 PolarHBondContact SG-O 3.38Å; C343-C349 HydrophobicContact CB-CB 3.78Å; C343-C349 WeakPolarHBondContact CB-SG 3.47Å; C343-C349 WeakPolarHBondContact SG-CB 3.27Å; C343-C349 CovalentContact SG-SG 2Å; C343-C349 PolarHBondContact SG-SG 3.32Å; C343-P354 PolarHBondContact N-O 3.22Å |
| 344 | R | 86.7 | Confident | 84.5 | Confident | 153 Ų | 153 | 74.9 Ų | 74.9 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -64 | -43.8 | 178.9 | -71.8 | 173.7 | -168.1 | -168.5 | 2.3 | 113.3 | P331 L332 Y333 T334 I342 | P331-R344 PolarHBondContact O-NE 3.47Å; P331-R344 PolarHBondContact O-NH1 2.84Å; P331-R344 PolarHBondContact O-NH2 3.41Å; L332-R344 VanDerWaalsContact O-CG 3.32Å; L332-R344 WeakPolarHBondContact O-CG 3.34Å; L332-R344 PolarHBondContact O-N 3.15Å; L332-R344 VanDerWaalsContact O-N 3.11Å; Y333-R344 PolarHBondContact O-NE 3.25Å; Y333-R344 VanDerWaalsContact O-NE 3.16Å; Y333-R344 PolarHBondContact O-NH2 3.47Å; T334-R344 HydrophobicContact CG2-CG 3.59Å; I342-R344 PolarHBondContact O-N 3.29Å |
| 345 | S | 83.7 | Confident | 84.3 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 17% | 0.168 | 41% | 0.413 | C | S | . | . | trans | -142.4 | 136.2 | 177.2 | 82.4 | 0 | 0 | 0 | 0 | 112.2 | C343 S347 E348 C349 | C343-S345 PolarHBondContact SG-O 3.38Å; S345-S347 PolarHBondContact O-N 2.86Å; S345-S347 VanDerWaalsContact O-N 3.09Å; S345-S347 PolarHBondContact OG-OG 2.83Å; S345-S347 VanDerWaalsContact OG-OG 3.09Å; S345-E348 WeakPolarHBondContact CB-OE2 3.49Å; S345-E348 PolarHBondContact O-N 2.92Å; S345-E348 VanDerWaalsContact O-N 3.09Å; S345-E348 WeakPolarHBondContact OG-CB 3.35Å; S345-E348 WeakPolarHBondContact OG-CG 3.4Å; S345-E348 PolarHBondContact OG-N 2.79Å; S345-E348 PolarHBondContact OG-OE2 3.4Å; S345-C349 PolarHBondContact O-N 2.82Å | ||
| 346 | P | 74.4 | Confident | 84.2 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 81% | 0.812 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.6 | 177.9 | -24.7 | 33.5 | 0 | 0 | 0 | 114.3 | ||
| 347 | S | 80.7 | Confident | 84.3 | Confident | 96 Ų | 96 | 69.1 Ų | 69.1 | 67% | 0.671 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -31.9 | 177.4 | 37.9 | 0 | 0 | 0 | 0 | 113.7 | S345 | S345-S347 PolarHBondContact O-N 2.86Å; S345-S347 VanDerWaalsContact O-N 3.09Å; S345-S347 PolarHBondContact OG-OG 2.83Å; S345-S347 VanDerWaalsContact OG-OG 3.09Å |
| 348 | E | 80 | Confident | 84.5 | Confident | 110 Ų | 110 | 64.9 Ų | 64.9 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -25.2 | -178 | -71.1 | 167.7 | 134.5 | 0 | 0 | 112.6 | S345 | S345-E348 WeakPolarHBondContact CB-OE2 3.49Å; S345-E348 PolarHBondContact O-N 2.92Å; S345-E348 VanDerWaalsContact O-N 3.09Å; S345-E348 WeakPolarHBondContact OG-CB 3.35Å; S345-E348 WeakPolarHBondContact OG-CG 3.4Å; S345-E348 PolarHBondContact OG-N 2.79Å; S345-E348 PolarHBondContact OG-OE2 3.4Å |
| 349 | C | 75.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.081 | 35% | 0.347 | C | S | . | . | trans | -98.7 | 31.7 | -179.3 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | C343 S345 G351 L352 | C343-C349 HydrophobicContact CB-CB 3.78Å; C343-C349 WeakPolarHBondContact CB-SG 3.47Å; C343-C349 WeakPolarHBondContact SG-CB 3.27Å; C343-C349 CovalentContact SG-SG 2Å; C343-C349 PolarHBondContact SG-SG 3.32Å; S345-C349 PolarHBondContact O-N 2.82Å; C349-G351 PolarHBondContact O-N 2.91Å; C349-L352 HydrophobicContact CB-CB 4.03Å; C349-L352 PolarHBondContact O-N 3.49Å | ||
| 350 | Q | 79.7 | Confident | 85.2 | Confident | 178 Ų | 178 | 57.9 Ų | 57.9 | 83% | 0.832 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 111.8 | -179 | -160.8 | 173.9 | 9.4 | 0 | 0 | 110.1 | ||
| 351 | G | 77.6 | Confident | 85.5 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 84% | 0.835 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -4.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | C349 | C349-G351 PolarHBondContact O-N 2.91Š|
| 352 | L | 82.9 | Confident | 85.6 | Confident | 78 Ų | 78 | 59 Ų | 59 | 41% | 0.408 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -96.8 | 157.3 | 174.2 | -63.3 | 177.1 | 0 | 0 | 0 | 111.3 | L332 Y333 C349 | L332-L352 HydrophobicContact CD1-CD1 3.99Å; Y333-L352 WeakPolarHBondContact OH-CB 3.41Å; C349-L352 HydrophobicContact CB-CB 4.03Å; C349-L352 PolarHBondContact O-N 3.49Å |
| 353 | P | 83.2 | Confident | 85.7 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | trans | -62 | 137.1 | 177 | -16.1 | 26.9 | 0 | 0 | 0 | 111.5 | Y333 S355 I356 L444 | Y333-P353 VanDerWaalsContact CE1-O 3.28Å; Y333-P353 WeakPolarHBondContact CE1-O 3.34Å; Y333-P353 PolarHBondContact OH-O 3.18Å; P353-S355 PolarHBondContact O-N 2.68Å; P353-I356 HydrophobicContact CB-CG1 4.07Å; P353-I356 HydrophobicContact CG-CD1 4.39Å; P353-I356 HydrophobicContact CG-CG1 4.25Å; P353-L444 HydrophobicContact CB-CB 3.82Å; P353-L444 HydrophobicContact CB-CD2 4.42Å; P353-L444 HydrophobicContact CG-CB 3.96Å; P353-L444 HydrophobicContact CG-CD2 3.66Å; P353-L444 HydrophobicContact CG-CG 4.37Å | ||
| 354 | P | 83.5 | Confident | 85.8 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -69.2 | -25.1 | 179.4 | 29.3 | -35.7 | 0 | 0 | 0 | 112.5 | C343 S442 | C343-P354 PolarHBondContact N-O 3.22Å; P354-S442 WeakPolarHBondContact CD-O 3.33Å; P354-S442 WeakPolarHBondContact CD-OG 3.21Å; P354-S442 WeakPolarHBondContact CG-O 3.42Å |
| 355 | S | 87 | Confident | 86.1 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 145.1 | 170 | 71.3 | 0 | 0 | 0 | 0 | 112 | C341 P353 L444 | C341-S355 CarbonylContact O-C 3.51Å; C341-S355 VanDerWaalsContact O-CA 3.24Å; C341-S355 WeakPolarHBondContact O-CA 3.06Å; P353-S355 PolarHBondContact O-N 2.68Å; S355-L444 PolarHBondContact O-N 3.05Å; S355-L444 VanDerWaalsContact O-N 3.08Å |
| 356 | I | 90.3 | Very high | 86.4 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.9 | 177 | -51.6 | 176.2 | 0 | 0 | 0 | 108.3 | Y333 C341 P353 Y358 L444 R446 | Y333-I356 HydrophobicContact CE1-CD1 3.93Å; Y333-I356 HydrophobicContact CE1-CG1 3.97Å; Y333-I356 HydrophobicContact CE2-CD1 3.97Å; C341-I356 HydrophobicContact CB-CB 4.28Å; C341-I356 WeakPolarHBondContact CB-O 3.44Å; C341-I356 PolarHBondContact N-O 3.03Å; C341-I356 PolarHBondContact O-N 3.44Å; P353-I356 HydrophobicContact CB-CG1 4.07Å; P353-I356 HydrophobicContact CG-CD1 4.39Å; P353-I356 HydrophobicContact CG-CG1 4.25Å; I356-Y358 HydrophobicContact CB-CE2 4.13Å; I356-Y358 HydrophobicContact CG2-CD2 4.08Å; I356-Y358 HydrophobicContact CG2-CE2 3.55Å; I356-L444 CarbonylContact C-O 3.59Å; I356-L444 VanDerWaalsContact CA-O 3.31Å; I356-L444 WeakPolarHBondContact CA-O 3.41Å; I356-L444 HydrophobicContact CG1-CB 4.36Å; I356-L444 HydrophobicContact CG1-CD2 4.33Å; I356-L444 HydrophobicContact CG2-CD2 4.42Å; I356-R446 HydrophobicContact CG2-CB 4.36Å |
| 357 | V | 91.1 | Very high | 87.1 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.4 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | R340 K359 L444 L445 R446 | R340-V357 HydrophobicContact CB-CG2 4.41Å; R340-V357 HydrophobicContact CG-CG2 4.05Å; V357-K359 HydrophobicContact CG1-CG 4.28Å; V357-L444 PolarHBondContact N-O 3.37Å; V357-L445 HydrophobicContact CB-CD1 4.04Å; V357-L445 HydrophobicContact CG1-CD1 3.94Å; V357-L445 CarbonylContact O-C 3.57Å; V357-L445 WeakPolarHBondContact O-CA 3.28Å; V357-R446 PolarHBondContact O-N 2.94Å |
| 358 | Y | 91.8 | Very high | 87.6 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 14% | 0.137 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.4 | 175.4 | -68 | -97.4 | 0 | 0 | 0 | 109.1 | P328 C341 I356 R446 | P328-Y358 HydrophobicContact CB-CD1 4.16Å; P328-Y358 HydrophobicContact CB-CD2 3.98Å; P328-Y358 HydrophobicContact CB-CE2 4.39Å; P328-Y358 HydrophobicContact CB-CG 3.87Å; P328-Y358 HydrophobicContact CG-CD2 3.85Å; P328-Y358 HydrophobicContact CG-CG 4.02Å; C341-Y358 HydrophobicContact CB-CE2 4.26Å; C341-Y358 VanDerWaalsContact SG-CE2 3.51Å; I356-Y358 HydrophobicContact CB-CE2 4.13Å; I356-Y358 HydrophobicContact CG2-CD2 4.08Å; I356-Y358 HydrophobicContact CG2-CE2 3.55Å; Y358-R446 WeakPolarHBondContact CA-O 3.48Å; Y358-R446 HydrophobicContact CD1-CB 4.15Å; Y358-R446 HydrophobicContact CD1-CG 4.25Å; Y358-R446 HydrophobicContact CE1-CB 4.27Å; Y358-R446 HydrophobicContact CE1-CG 4.26Å |
| 359 | K | 92 | Very high | 88.1 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 146.6 | 173.8 | -71 | -64.9 | 179.8 | -178.3 | 0 | 110.1 | V357 L445 R446 L447 T448 | V357-K359 HydrophobicContact CG1-CG 4.28Å; K359-L445 HydrophobicContact CB-CD1 4Å; K359-L445 HydrophobicContact CG-CD1 3.56Å; K359-R446 PolarHBondContact N-O 3.08Å; K359-L447 HydrophobicContact CB-CD1 3.86Å; K359-L447 CarbonylContact O-C 3.58Å; K359-L447 WeakPolarHBondContact O-CA 3.37Å; K359-T448 PolarHBondContact O-N 2.82Å |
| 360 | Y | 92.3 | Very high | 88.9 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 10% | 0.102 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.6 | 178.2 | -52.8 | -83.9 | 0 | 0 | 0 | 108.1 | W315 Y324 T448 | W315-Y360 HydrophobicContact CD2-CG 4.42Å; W315-Y360 WeakPolarHBondContact CH2-O 3.28Å; W315-Y360 VanDerWaalsContact CZ2-O 3.22Å; W315-Y360 WeakPolarHBondContact CZ2-O 3.24Å; Y324-Y360 HydrophobicContact CD1-CD1 4.28Å; Y324-Y360 AromaticContact CD1-CE1 3.47Å; Y324-Y360 HydrophobicContact CD1-CE1 3.47Å; Y324-Y360 VanDerWaalsContact CD1-CE1 3.47Å; Y324-Y360 AromaticContact CD1-CZ 3.82Å; Y324-Y360 AromaticContact CD2-CD1 4Å; Y324-Y360 HydrophobicContact CD2-CD1 4Å; Y324-Y360 AromaticContact CD2-CE1 3.91Å; Y324-Y360 HydrophobicContact CD2-CE1 3.91Å; Y324-Y360 HydrophobicContact CD2-CG 4.43Å; Y324-Y360 AromaticContact CE1-CD1 3.91Å; Y324-Y360 HydrophobicContact CE1-CD1 3.91Å; Y324-Y360 AromaticContact CE1-CE1 3.37Å; Y324-Y360 HydrophobicContact CE1-CE1 3.37Å; Y324-Y360 AromaticContact CE2-CD1 3.6Å; Y324-Y360 HydrophobicContact CE2-CD1 3.6Å; Y324-Y360 AromaticContact CE2-CE1 3.81Å; Y324-Y360 HydrophobicContact CE2-CE1 3.81Å; Y324-Y360 HydrophobicContact CE2-CG 4.24Å; Y324-Y360 HydrophobicContact CG-CD1 4.31Å; Y324-Y360 AromaticContact CG-CE1 3.73Å; Y324-Y360 HydrophobicContact CG-CE1 3.73Å; Y324-Y360 HydrophobicContact CG-CE2 4.48Å; Y324-Y360 AromaticContact CG-CZ 3.82Å; Y324-Y360 AromaticContact CZ-CD1 3.54Å; Y324-Y360 AromaticContact CZ-CE1 3.53Å; Y360-T448 CarbonylContact C-O 3.48Å; Y360-T448 WeakPolarHBondContact CA-O 3.47Å; Y360-T448 HydrophobicContact CD1-CG2 4.21Å |
| 361 | M | 93.5 | Very high | 89.4 | Confident | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 155.8 | 169.9 | 65.4 | 176.9 | -61.9 | 0 | 0 | 109.4 | I363 I373 F374 L447 T448 I449 I450 | M361-I363 HydrophobicContact CE-CG2 3.74Å; M361-I373 HydrophobicContact CE-CB 4.22Å; M361-I373 WeakPolarHBondContact CE-O 3.23Å; M361-F374 HydrophobicContact SD-CB 4.1Å; M361-F374 HydrophobicContact SD-CD2 3.95Å; M361-F374 HydrophobicContact SD-CG 4.42Å; M361-L447 HydrophobicContact CG-CD1 3.99Å; M361-L447 HydrophobicContact CG-CG 4.49Å; M361-L447 HydrophobicContact SD-CD1 4.08Å; M361-L447 HydrophobicContact SD-CD2 3.94Å; M361-L447 HydrophobicContact SD-CG 4.33Å; M361-T448 PolarHBondContact N-O 2.95Å; M361-I449 HydrophobicContact CG-CB 4.21Å; M361-I449 HydrophobicContact CG-CG1 3.83Å; M361-I449 HydrophobicContact CG-CG2 4.19Å; M361-I449 WeakPolarHBondContact O-CA 3.42Å; M361-I449 HydrophobicContact SD-CD1 4.38Å; M361-I449 HydrophobicContact SD-CG1 3.92Å; M361-I450 PolarHBondContact O-N 2.84Å |
| 362 | S | 93.4 | Very high | 90.1 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.7 | 174 | 54 | 0 | 0 | 0 | 0 | 110.4 | I450 | S362-I450 CarbonylContact C-O 3.6Å; S362-I450 VanDerWaalsContact CA-O 3.25Å; S362-I450 WeakPolarHBondContact CA-O 3.01Å |
| 363 | I | 92.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 154.3 | 170.5 | 65.6 | 168.8 | 0 | 0 | 0 | 109.9 | M361 L414 L418 I449 I450 V451 G452 | M361-I363 HydrophobicContact CE-CG2 3.74Å; I363-L414 HydrophobicContact CD1-CD2 4.37Å; I363-L418 HydrophobicContact CD1-CB 4.39Å; I363-L418 HydrophobicContact CD1-CD1 3.74Å; I363-L418 HydrophobicContact CD1-CG 4.36Å; I363-I449 HydrophobicContact CD1-CG2 3.98Å; I363-I449 HydrophobicContact CG1-CG2 3.91Å; I363-I449 HydrophobicContact CG2-CG2 4.27Å; I363-I450 PolarHBondContact N-O 3.28Å; I363-V451 HydrophobicContact CD1-CG2 3.99Å; I363-V451 HydrophobicContact CG1-CB 4.37Å; I363-V451 HydrophobicContact CG1-CG1 4.33Å; I363-V451 HydrophobicContact CG1-CG2 3.83Å; I363-V451 WeakPolarHBondContact O-CA 3.32Å; I363-G452 PolarHBondContact O-N 2.75Å |
| 364 | Q | 90.9 | Very high | 91.1 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | trans | -70.6 | 151.3 | 171.4 | -66 | 166.6 | -55.2 | 0 | 0 | 110.8 | Y318 F456 | Y318-Q364 HydrophobicContact CD1-CG 4.04Å; Y318-Q364 HydrophobicContact CD2-CG 3.98Å; Y318-Q364 HydrophobicContact CE1-CG 4.14Å; Y318-Q364 HydrophobicContact CE2-CG 4.09Å; Y318-Q364 HydrophobicContact CG-CG 3.95Å; Q364-F456 PolarHBondContact NE2-O 3.45Å; Q364-F456 PolarHBondContact OE1-O 2.81Å | ||
| 365 | S | 91.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 153.8 | 174.7 | -162.7 | 0 | 0 | 0 | 0 | 110.4 | R367 L418 S419 G420 G452 Y454 P455 | S365-R367 PolarHBondContact O-N 3.3Å; S365-L418 WeakPolarHBondContact CA-O 3.26Å; S365-L418 PolarHBondContact OG-O 2.87Å; S365-S419 WeakPolarHBondContact OG-CA 3.03Å; S365-G420 PolarHBondContact OG-N 3Å; S365-G420 VanDerWaalsContact OG-N 3.12Å; S365-G452 WeakPolarHBondContact CB-O 3.47Å; S365-Y454 WeakPolarHBondContact CB-O 3.35Å; S365-Y454 PolarHBondContact N-O 2.77Å; S365-P455 WeakPolarHBondContact O-CA 3.03Å |
| 366 | E | 90.8 | Very high | 91.5 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 41% | 0.407 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 24.7 | 172.2 | -54.8 | -58.2 | 143.6 | 0 | 0 | 115.4 | S368 P417 L418 S419 P455 | E366-S368 PolarHBondContact O-N 3.46Å; E366-P417 WeakPolarHBondContact OE2-CB 3.39Å; E366-L418 PolarHBondContact N-O 2.02Å; E366-S419 WeakPolarHBondContact OE1-CA 3.41Å; E366-S419 WeakPolarHBondContact OE1-CB 3.08Å; E366-S419 PolarHBondContact OE1-OG 3.01Å; E366-P455 HydrophobicContact CB-CB 3.71Å; E366-P455 HydrophobicContact CG-CB 3.99Å |
| 367 | R | 88.6 | Confident | 91.4 | Very high | 113 Ų | 113 | 47.5 Ų | 47.5 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | trans | -54.4 | 137.4 | 177.9 | -175 | -179.4 | -176.5 | 87.3 | -1.7 | 111 | S365 V369 | S365-R367 PolarHBondContact O-N 3.3Å; R367-V369 PolarHBondContact O-N 2.98Å | ||
| 368 | S | 89.9 | Confident | 90.9 | Very high | 108 Ų | 108 | 46.8 Ų | 46.8 | 76% | 0.755 | 25% | 0.247 | S | C | * | . | trans | -52.6 | 131.7 | 174.1 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | E366 | E366-S368 PolarHBondContact O-N 3.46Š| ||
| 369 | V | 91.1 | Very high | 89.7 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 33% | 0.333 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -119.4 | 152.1 | -180 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | R367 L414 | R367-V369 PolarHBondContact O-N 2.98Å; V369-L414 HydrophobicContact CG1-CB 4.26Å; V369-L414 HydrophobicContact CG1-CD2 3.76Å; V369-L414 HydrophobicContact CG1-CG 3.77Å |
| 370 | P | 91.6 | Very high | 88.3 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 73% | 0.727 | 25% | 0.254 | S | S | * | . | S | Bend | cis | -75.6 | 141.3 | 2.2 | 31 | -34.7 | 0 | 0 | 0 | 113.2 | V413 L414 | P370-V413 HydrophobicContact CB-CG1 4.13Å; P370-L414 VanDerWaalsContact CA-O 3.3Å; P370-L414 WeakPolarHBondContact CA-O 3.44Å |
| 371 | A | 90.4 | Very high | 86.7 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I373 V413 L414 | A371-I373 HydrophobicContact CB-CG2 4.14Å; A371-I373 PolarHBondContact O-N 2.88Å; A371-V413 CarbonylContact O-C 3.48Å; A371-V413 VanDerWaalsContact O-CA 3.31Å; A371-V413 WeakPolarHBondContact O-CA 3.1Å; A371-L414 HydrophobicContact CB-CB 4.43Å; A371-L414 PolarHBondContact N-O 3.43Å; A371-L414 PolarHBondContact O-N 3.03Å |
| 372 | D | 92.6 | Very high | 85.4 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 116 | 168.9 | -71.1 | -1.1 | 0 | 0 | 0 | 108.2 | R403 M411 V413 | D372-R403 IonicContact OD1-CZ 2.82Å; D372-R403 IonicContact OD1-NH1 3.12Å; D372-R403 IonicContact OD1-NH2 3.86Å; D372-R403 PolarHBondContact OD1-NH2 2.88Å; D372-R403 IonicContact OD2-CZ 2.74Å; D372-R403 IonicContact OD2-NH2 3.16Å; D372-R403 PolarHBondContact OD2-NH2 2.9Å; D372-M411 HydrophobicContact CB-CE 4.36Å; D372-M411 HydrophobicContact CB-CG 3.75Å; D372-M411 HydrophobicContact CB-SD 3.93Å; D372-V413 WeakPolarHBondContact OD1-CG2 3.48Å |
| 373 | I | 93.2 | Very high | 84.1 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -25.6 | -170.6 | 58.3 | 161.9 | 0 | 0 | 0 | 114 | M361 A371 F400 L412 L414 I449 | M361-I373 HydrophobicContact CE-CB 4.22Å; M361-I373 WeakPolarHBondContact CE-O 3.23Å; A371-I373 HydrophobicContact CB-CG2 4.14Å; A371-I373 PolarHBondContact O-N 2.88Å; I373-F400 HydrophobicContact CD1-CD1 3.99Å; I373-F400 HydrophobicContact CD1-CE1 3.88Å; I373-L412 HydrophobicContact CD1-CD2 3.96Å; I373-L412 HydrophobicContact CD1-CG 4.25Å; I373-L412 HydrophobicContact CG1-CB 4.33Å; I373-L412 HydrophobicContact CG1-CD2 4.25Å; I373-L412 HydrophobicContact CG1-CG 4.21Å; I373-L412 VanDerWaalsContact CG1-O 3.3Å; I373-L412 WeakPolarHBondContact CG1-O 3.42Å; I373-L412 PolarHBondContact N-O 3.34Å; I373-L414 HydrophobicContact CD1-CB 4.16Å; I373-L414 HydrophobicContact CG1-CB 4.4Å; I373-L414 HydrophobicContact CG2-CB 3.92Å; I373-I449 HydrophobicContact CD1-CD1 3.96Å |
| 374 | F | 93.4 | Very high | 83.3 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 6% | 0.057 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 126.2 | -178.5 | -170.9 | -89.3 | 0 | 0 | 0 | 112.6 | A10 M361 I376 M411 L412 L445 L447 | A10-F374 HydrophobicContact CB-CZ 3.9Å; M361-F374 HydrophobicContact SD-CB 4.1Å; M361-F374 HydrophobicContact SD-CD2 3.95Å; M361-F374 HydrophobicContact SD-CG 4.42Å; F374-I376 HydrophobicContact CD1-CG1 3.91Å; F374-I376 HydrophobicContact CE1-CG1 3.96Å; F374-M411 VanDerWaalsContact C-SD 3.54Å; F374-M411 VanDerWaalsContact O-SD 3.37Å; F374-L412 HydrophobicContact CB-CB 4.01Å; F374-L412 HydrophobicContact CB-CD2 4.28Å; F374-L412 PolarHBondContact N-O 3.19Å; F374-L412 WeakPolarHBondContact O-CB 3.36Å; F374-L412 PolarHBondContact O-N 3.18Å; F374-L445 HydrophobicContact CD1-CD2 4.48Å; F374-L445 HydrophobicContact CE1-CD2 3.52Å; F374-L445 HydrophobicContact CZ-CD2 3.98Å; F374-L447 HydrophobicContact CB-CD2 3.96Å; F374-L447 HydrophobicContact CD1-CD2 4.03Å; F374-L447 HydrophobicContact CD2-CD1 3.88Å; F374-L447 HydrophobicContact CD2-CD2 3.96Å; F374-L447 HydrophobicContact CE2-CD1 3.77Å; F374-L447 HydrophobicContact CE2-CD2 4.49Å; F374-L447 HydrophobicContact CG-CD1 4.44Å; F374-L447 HydrophobicContact CG-CD2 3.71Å; F374-L447 HydrophobicContact CZ-CD1 4.25Å |
| 375 | Q | 91.2 | Very high | 82.6 | Confident | 48 Ų | 48 | 59.3 Ų | 59.3 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.7 | 175.4 | -166.9 | 175.9 | 18.5 | 0 | 0 | 111.6 | M411 | Q375-M411 HydrophobicContact CB-CE 3.84Å; Q375-M411 HydrophobicContact CB-SD 3.98Å; Q375-M411 HydrophobicContact CG-CE 4.06Å |
| 376 | I | 89.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.4 | 173.5 | -45.7 | 172 | 0 | 0 | 0 | 108.4 | L8 F374 F389 L402 S409 A410 L428 L445 | L8-I376 HydrophobicContact CD2-CG2 3.29Å; F374-I376 HydrophobicContact CD1-CG1 3.91Å; F374-I376 HydrophobicContact CE1-CG1 3.96Å; I376-F389 HydrophobicContact CG2-CD1 4.21Å; I376-F389 HydrophobicContact CG2-CE1 4.19Å; I376-L402 HydrophobicContact CD1-CD1 3.75Å; I376-S409 CarbonylContact O-C 3.56Å; I376-S409 WeakPolarHBondContact O-CA 3.45Å; I376-S409 WeakPolarHBondContact O-CB 3.08Å; I376-A410 PolarHBondContact N-O 3.45Å; I376-A410 PolarHBondContact O-N 3.44Å; I376-L428 HydrophobicContact CD1-CB 3.9Å; I376-L428 HydrophobicContact CD1-CD1 3.65Å; I376-L428 HydrophobicContact CD1-CD2 4.13Å; I376-L428 HydrophobicContact CD1-CG 4.09Å; I376-L428 HydrophobicContact CG1-CD1 4.16Å; I376-L445 HydrophobicContact CG1-CD2 4.35Å; I376-L445 HydrophobicContact CG2-CD2 4.43Å |
| 377 | Q | 86.9 | Confident | 82 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.3 | 178.8 | -171.2 | 169 | -1.1 | 0 | 0 | 112.9 | C9 V408 | C9-Q377 PolarHBondContact N-O 3.48Å; C9-Q377 CarbonylContact O-C 3.55Å; C9-Q377 WeakPolarHBondContact O-CB 3.46Å; C9-Q377 PolarHBondContact O-N 2.91Å; Q377-V408 CarbonylContact C-O 3.58Å; Q377-V408 VanDerWaalsContact CA-O 3.32Å; Q377-V408 WeakPolarHBondContact CA-O 3.33Å |
| 378 | A | 80.6 | Confident | 82 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 131.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | V408 M430 | A378-V408 HydrophobicContact CB-CB 4.35Å; A378-V408 PolarHBondContact N-O 3.35Å; A378-M430 HydrophobicContact CB-SD 3.75Å |
| 379 | T | 68 | Low | 82 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 34% | 0.344 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -72.2 | -35.8 | 178.6 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | C7 C9 | C7-T379 VanDerWaalsContact CA-OG1 3.27Å; C7-T379 WeakPolarHBondContact CA-OG1 3.16Å; C7-T379 HydrophobicContact CB-CG2 3.96Å; C7-T379 WeakPolarHBondContact CB-OG1 3.38Å; C7-T379 PolarHBondContact N-OG1 3.09Å; C7-T379 WeakPolarHBondContact O-CB 3.39Å; C7-T379 PolarHBondContact O-N 3.09Å; C7-T379 PolarHBondContact O-OG1 3.09Å; C9-T379 HydrophobicContact CB-CG2 3.31Å; C9-T379 WeakPolarHBondContact SG-CG2 3.31Å |
| 380 | T | 61.6 | Low | 82.1 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | trans | -118.3 | 118 | -171.7 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 381 | V | 59.8 | Low | 82.3 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 58% | 0.582 | 27% | 0.271 | S | S | * | . | trans | -104.5 | 92.4 | -179.8 | -169.6 | 0 | 0 | 0 | 0 | 107.9 | V408 | V381-V408 HydrophobicContact CB-CG1 4.32Å; V381-V408 HydrophobicContact CG1-CG1 3.85Å; V381-V408 HydrophobicContact CG2-CB 4.38Å; V381-V408 HydrophobicContact CG2-CG1 3.63Å | ||
| 382 | Y | 65.7 | Low | 82.5 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | trans | -84.3 | 135.4 | 166.4 | -58.6 | -77.9 | 0 | 0 | 0 | 108.3 | V4 N384 T385 | V4-Y382 HydrophobicContact CG1-CE2 3.9Å; V4-Y382 WeakPolarHBondContact CG1-OH 3Å; Y382-N384 PolarHBondContact O-N 2.82Å; Y382-T385 HydrophobicContact CD2-CG2 4.01Å; Y382-T385 HydrophobicContact CG-CG2 4.31Å; Y382-T385 PolarHBondContact N-OG1 2.96Å; Y382-T385 PolarHBondContact O-N 3.5Å; Y382-T385 PolarHBondContact O-OG1 3.07Å | ||
| 383 | T | 65.6 | Low | 82.6 | Confident | 140 Ų | 140 | 54 Ų | 54 | 86% | 0.859 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.6 | 178.5 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 384 | N | 76.8 | Confident | 82.5 | Confident | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 27.4 | -179.6 | -67.1 | -26.4 | 0 | 0 | 0 | 114.1 | Y382 L435 T436 | Y382-N384 PolarHBondContact O-N 2.82Å; N384-L435 PolarHBondContact O-N 3.5Å; N384-T436 HydrophobicContact CB-CG2 4.18Å |
| 385 | T | 76.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.6 | 176.2 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | Y382 N407 T432 H433 H434 | Y382-T385 HydrophobicContact CD2-CG2 4.01Å; Y382-T385 HydrophobicContact CG-CG2 4.31Å; Y382-T385 PolarHBondContact N-OG1 2.96Å; Y382-T385 PolarHBondContact O-N 3.5Å; Y382-T385 PolarHBondContact O-OG1 3.07Å; T385-N407 PolarHBondContact O-ND2 2.96Å; T385-T432 HydrophobicContact CG2-CG2 3.87Å; T385-H433 WeakPolarHBondContact CA-O 3.29Å; T385-H434 HydrophobicContact CG2-CB 4.34Å |
| 386 | H | 84.3 | Confident | 82.6 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.9 | 171.1 | -178.4 | -89.2 | 0 | 0 | 0 | 109 | R404 N407 H433 | H386-R404 PolarHBondContact NE2-NH1 3.18Å; H386-R404 PolarHBondContact NE2-NH2 3Å; H386-N407 PolarHBondContact CD2-OD1 3.29Å; H386-H433 PolarHBondContact N-O 3.04Å; H386-H433 PolarHBondContact O-N 2.82Å |
| 387 | N | 85.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.9 | 176.6 | -52.6 | -57.5 | 0 | 0 | 0 | 110.1 | F389 R404 N407 M430 I431 T432 | N387-F389 HydrophobicContact CB-CE2 3.97Å; N387-F389 HydrophobicContact CB-CZ 3.95Å; N387-R404 PolarHBondContact O-NH2 3.28Å; N387-R404 VanDerWaalsContact O-NH2 3.09Å; N387-N407 VanDerWaalsContact CB-O 3.28Å; N387-N407 WeakPolarHBondContact CB-O 3.5Å; N387-N407 PolarHBondContact N-OD1 2.88Å; N387-N407 PolarHBondContact ND2-O 3.46Å; N387-M430 HydrophobicContact CB-CG 4.26Å; N387-M430 HydrophobicContact CB-SD 4.39Å; N387-I431 WeakPolarHBondContact CA-O 3.38Å; N387-T432 WeakPolarHBondContact OD1-CB 3.42Å; N387-T432 VanDerWaalsContact OD1-CG2 3.28Å; N387-T432 WeakPolarHBondContact OD1-CG2 3.33Å; N387-T432 PolarHBondContact OD1-OG1 2.79Å |
| 388 | S | 87.9 | Confident | 82.9 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.5 | 169.8 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | M430 I431 | S388-M430 CarbonylContact O-C 3.54Å; S388-M430 WeakPolarHBondContact O-CA 3.48Å; S388-I431 PolarHBondContact N-O 2.97Å; S388-I431 PolarHBondContact O-N 2.74Å |
| 389 | F | 91 | Very high | 83.6 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.8 | 177.5 | -54.3 | -90.7 | 0 | 0 | 0 | 109.1 | L8 I376 N387 L402 A410 E429 M430 | L8-F389 HydrophobicContact CD2-CE1 4.36Å; I376-F389 HydrophobicContact CG2-CD1 4.21Å; I376-F389 HydrophobicContact CG2-CE1 4.19Å; N387-F389 HydrophobicContact CB-CE2 3.97Å; N387-F389 HydrophobicContact CB-CZ 3.95Å; F389-L402 HydrophobicContact CB-CD2 3.63Å; F389-A410 HydrophobicContact CB-CB 3.85Å; F389-A410 HydrophobicContact CD1-CB 4.28Å; F389-A410 HydrophobicContact CD2-CB 3.9Å; F389-A410 HydrophobicContact CG-CB 3.75Å; F389-E429 WeakPolarHBondContact CA-O 3.3Å; F389-M430 HydrophobicContact CD1-CB 4.02Å; F389-M430 HydrophobicContact CD1-CG 3.94Å; F389-M430 HydrophobicContact CE1-CB 4.08Å; F389-M430 HydrophobicContact CE1-CG 3.63Å; F389-M430 HydrophobicContact CE1-SD 3.69Å; F389-M430 HydrophobicContact CZ-CG 4.27Å; F389-M430 HydrophobicContact CZ-SD 4.15Å |
| 390 | R | 92.6 | Very high | 84.9 | Confident | 126 Ų | 126 | 59.9 Ų | 59.9 | 48% | 0.475 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 155.6 | 174.9 | 63.8 | 179.4 | 179.1 | 174.9 | 2 | 111.8 | E429 | R390-E429 HydrophobicContact CG-CB 4.17Å; R390-E429 IonicContact CZ-OE2 2.88Å; R390-E429 PolarHBondContact N-O 3.27Å; R390-E429 IonicContact NE-OE2 3.83Å; R390-E429 PolarHBondContact NE-OE2 3.5Å; R390-E429 IonicContact NH2-OE2 2.66Å; R390-E429 PolarHBondContact NH2-OE2 2.89Å; R390-E429 PolarHBondContact O-N 2.73Å |
| 391 | I | 95.2 | Very high | 86.5 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 22% | 0.221 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 119.2 | 164.8 | -55.8 | 169.6 | 0 | 0 | 0 | 106.8 | N395 F400 L402 L412 V426 L428 | I391-N395 HydrophobicContact CD1-CB 4.46Å; I391-N395 HydrophobicContact CG2-CB 3.75Å; I391-F400 HydrophobicContact CD1-CB 4.03Å; I391-L402 HydrophobicContact CD1-CB 4.2Å; I391-L402 HydrophobicContact CG1-CB 4.05Å; I391-L412 HydrophobicContact CD1-CD1 4.16Å; I391-L412 HydrophobicContact CG1-CD1 4.46Å; I391-V426 HydrophobicContact CG2-CG1 3.86Å; I391-L428 HydrophobicContact CG1-CD2 3.86Å |
| 392 | K | 94.1 | Very high | 88.1 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -40.3 | -177.8 | -174.8 | 177 | -172.3 | 161.3 | 0 | 112 | D427 E429 L444 | K392-D427 HydrophobicContact CB-CB 4.27Å; K392-D427 WeakPolarHBondContact CB-O 3.49Å; K392-D427 PolarHBondContact N-O 3.42Å; K392-E429 HydrophobicContact CB-CB 4.14Å; K392-E429 HydrophobicContact CD-CB 4.31Å; K392-E429 IonicContact NZ-OE1 3.69Å; K392-E429 PolarHBondContact NZ-OE1 2.97Å; K392-L444 HydrophobicContact CB-CD1 4.48Å; K392-L444 HydrophobicContact CD-CD1 3.73Å |
| 393 | A | 94.8 | Very high | 89.4 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 169.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D427 | A393-D427 HydrophobicContact CB-CB 4.08Å; A393-D427 PolarHBondContact N-O 3.4Å; A393-D427 PolarHBondContact O-N 2.77Å |
| 394 | G | 92.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 84.9 | 23.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | V425 | G394-V425 VanDerWaalsContact CA-O 3.27Å; G394-V425 WeakPolarHBondContact CA-O 3.08Å |
| 395 | N | 94.6 | Very high | 90.9 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | trans | -137.3 | 37 | 179.5 | -173.1 | 40.4 | 0 | 0 | 0 | 111.7 | I391 G397 G398 E399 F400 | I391-N395 HydrophobicContact CD1-CB 4.46Å; I391-N395 HydrophobicContact CG2-CB 3.75Å; N395-G397 PolarHBondContact O-N 3.46Å; N395-G398 PolarHBondContact O-N 2.82Å; N395-G398 VanDerWaalsContact O-N 3.14Å; N395-G398 WeakPolarHBondContact OD1-CA 3.21Å; N395-E399 PolarHBondContact OD1-N 3.49Å; N395-E399 VanDerWaalsContact OD1-N 3.15Å; N395-F400 HydrophobicContact CB-CD2 4.3Å; N395-F400 PolarHBondContact ND2-O 3.43Å; N395-F400 WeakPolarHBondContact OD1-CB 3.49Å; N395-F400 WeakPolarHBondContact OD1-CD2 3.48Å; N395-F400 PolarHBondContact OD1-N 2.98Å; N395-F400 PolarHBondContact OD1-O 3.08Å | ||
| 396 | D | 91.7 | Very high | 91.4 | Very high | 164 Ų | 164 | 61.9 Ų | 61.9 | 88% | 0.877 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.2 | -176.1 | -57.2 | -54.2 | 0 | 0 | 0 | 112.3 | ||
| 397 | G | 89.6 | Confident | 91.4 | Very high | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -3.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N395 E399 K416 | N395-G397 PolarHBondContact O-N 3.46Å; G397-E399 VanDerWaalsContact C-CD 3.5Å; G397-E399 VanDerWaalsContact C-N 3.3Å; G397-E399 WeakPolarHBondContact CA-OE1 2.88Å; G397-E399 WeakPolarHBondContact CA-OE2 3.5Å; G397-E399 PolarHBondContact N-OE2 3.42Å; G397-E399 PolarHBondContact O-N 2.03Å; G397-K416 PolarHBondContact O-NZ 2.67Å |
| 398 | G | 92.7 | Very high | 91.4 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | trans | 66.3 | 28.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N395 F400 T415 | N395-G398 PolarHBondContact O-N 2.82Å; N395-G398 VanDerWaalsContact O-N 3.14Å; N395-G398 WeakPolarHBondContact OD1-CA 3.21Å; G398-F400 VanDerWaalsContact C-N 3.27Å; G398-T415 PolarHBondContact O-OG1 2.04Å | ||
| 399 | E | 94.6 | Very high | 91.5 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | trans | -72.7 | -20.5 | 176.5 | -56.9 | 86.8 | 169 | 0 | 0 | 112.8 | N395 G397 L414 T415 K416 L418 | N395-E399 PolarHBondContact OD1-N 3.49Å; N395-E399 VanDerWaalsContact OD1-N 3.15Å; G397-E399 VanDerWaalsContact C-CD 3.5Å; G397-E399 VanDerWaalsContact C-N 3.3Å; G397-E399 WeakPolarHBondContact CA-OE1 2.88Å; G397-E399 WeakPolarHBondContact CA-OE2 3.5Å; G397-E399 PolarHBondContact N-OE2 3.42Å; G397-E399 PolarHBondContact O-N 2.03Å; E399-L414 WeakPolarHBondContact O-CD1 3.41Å; E399-T415 PolarHBondContact O-N 3.26Å; E399-T415 PolarHBondContact O-OG1 3.42Å; E399-K416 HydrophobicContact CB-CB 4.42Å; E399-K416 HydrophobicContact CG-CB 4.33Å; E399-K416 HydrophobicContact CG-CD 4.37Å; E399-L418 HydrophobicContact CB-CD2 3.77Å; E399-L418 HydrophobicContact CG-CD2 3.72Å | ||
| 400 | F | 95.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141 | -176.9 | -51.2 | -75 | 0 | 0 | 0 | 111.8 | I373 I391 N395 G398 L412 V413 L414 L418 Y424 V426 I449 | I373-F400 HydrophobicContact CD1-CD1 3.99Å; I373-F400 HydrophobicContact CD1-CE1 3.88Å; I391-F400 HydrophobicContact CD1-CB 4.03Å; N395-F400 HydrophobicContact CB-CD2 4.3Å; N395-F400 PolarHBondContact ND2-O 3.43Å; N395-F400 WeakPolarHBondContact OD1-CB 3.49Å; N395-F400 WeakPolarHBondContact OD1-CD2 3.48Å; N395-F400 PolarHBondContact OD1-N 2.98Å; N395-F400 PolarHBondContact OD1-O 3.08Å; G398-F400 VanDerWaalsContact C-N 3.27Å; F400-L412 HydrophobicContact CB-CD1 3.94Å; F400-L412 HydrophobicContact CD1-CD2 4.27Å; F400-L412 HydrophobicContact CD1-CG 4.39Å; F400-V413 WeakPolarHBondContact CA-O 3.49Å; F400-L414 HydrophobicContact CD1-CD1 3.94Å; F400-L414 HydrophobicContact CE1-CD1 3.67Å; F400-L414 HydrophobicContact CZ-CD1 4.47Å; F400-L418 HydrophobicContact CE1-CD1 4.01Å; F400-L418 HydrophobicContact CZ-CD1 3.79Å; F400-Y424 HydrophobicContact CE2-CD1 4.32Å; F400-Y424 HydrophobicContact CZ-CD1 4.37Å; F400-Y424 HydrophobicContact CZ-CG 4.3Å; F400-V426 HydrophobicContact CD2-CG2 3.71Å; F400-V426 HydrophobicContact CE1-CG2 4.46Å; F400-V426 HydrophobicContact CE2-CG2 3.49Å; F400-V426 VanDerWaalsContact CE2-CG2 3.49Å; F400-V426 HydrophobicContact CG-CG2 4.29Å; F400-V426 HydrophobicContact CZ-CG2 3.9Å; F400-I449 HydrophobicContact CD1-CD1 4.35Å; F400-I449 HydrophobicContact CE1-CD1 3.49Å; F400-I449 VanDerWaalsContact CE1-CD1 3.49Å; F400-I449 HydrophobicContact CZ-CD1 3.74Å |
| 401 | F | 94.6 | Very high | 91.5 | Very high | 118 Ų | 118 | 54.7 Ų | 54.7 | 52% | 0.518 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.8 | 171.8 | 174.5 | -103.3 | 0 | 0 | 0 | 109.8 | R403 V413 T415 | F401-R403 HydrophobicContact CD1-CB 4.17Å; F401-R403 HydrophobicContact CE1-CB 3.79Å; F401-R403 HydrophobicContact CE1-CG 4.32Å; F401-V413 HydrophobicContact CD1-CB 4.49Å; F401-V413 PolarHBondContact N-O 3.49Å; F401-V413 PolarHBondContact O-N 3.38Å; F401-T415 HydrophobicContact CB-CG2 3.54Å |
| 402 | L | 93.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 106.8 | 178.4 | -164.5 | 70.5 | 0 | 0 | 0 | 110.3 | I376 F389 I391 A410 L412 L428 | I376-L402 HydrophobicContact CD1-CD1 3.75Å; F389-L402 HydrophobicContact CB-CD2 3.63Å; I391-L402 HydrophobicContact CD1-CB 4.2Å; I391-L402 HydrophobicContact CG1-CB 4.05Å; L402-A410 HydrophobicContact CD1-CB 4.08Å; L402-A410 HydrophobicContact CD2-CB 4.39Å; L402-A410 HydrophobicContact CG-CB 4.08Å; L402-L412 HydrophobicContact CD1-CB 4.34Å; L402-L412 HydrophobicContact CD1-CD1 4.1Å; L402-L428 HydrophobicContact CD1-CD2 4.39Å |
| 403 | R | 92.9 | Very high | 91.4 | Very high | 115 Ų | 115 | 48.4 Ų | 48.4 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.3 | 177 | -171.5 | 171.2 | 65.9 | -154.2 | -4.6 | 109.7 | D372 F401 S405 A410 M411 V413 | D372-R403 IonicContact OD1-CZ 2.82Å; D372-R403 IonicContact OD1-NH1 3.12Å; D372-R403 IonicContact OD1-NH2 3.86Å; D372-R403 PolarHBondContact OD1-NH2 2.88Å; D372-R403 IonicContact OD2-CZ 2.74Å; D372-R403 IonicContact OD2-NH2 3.16Å; D372-R403 PolarHBondContact OD2-NH2 2.9Å; F401-R403 HydrophobicContact CD1-CB 4.17Å; F401-R403 HydrophobicContact CE1-CB 3.79Å; F401-R403 HydrophobicContact CE1-CG 4.32Å; R403-S405 PolarHBondContact O-N 3.16Å; R403-A410 CarbonylContact O-C 3.58Å; R403-A410 WeakPolarHBondContact O-CA 2.99Å; R403-M411 PolarHBondContact N-O 3.42Å; R403-M411 PolarHBondContact O-N 2.92Å; R403-V413 HydrophobicContact CB-CG2 3.98Å |
| 404 | R | 88.4 | Confident | 91.4 | Very high | 124 Ų | 124 | 46.2 Ų | 46.2 | 47% | 0.468 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 124.9 | 174.9 | -171.6 | 177.3 | -173.9 | 175.1 | 3.2 | 109.8 | H386 N387 S406 N407 | H386-R404 PolarHBondContact NE2-NH1 3.18Å; H386-R404 PolarHBondContact NE2-NH2 3Å; N387-R404 PolarHBondContact O-NH2 3.28Å; N387-R404 VanDerWaalsContact O-NH2 3.09Å; R404-S406 WeakPolarHBondContact CG-O 3.46Å; R404-S406 PolarHBondContact NE-O 3.45Å; R404-N407 PolarHBondContact NH2-OD1 2.97Å; R404-N407 VanDerWaalsContact NH2-OD1 3.12Å |
| 405 | S | 86.6 | Confident | 91.4 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | trans | -97 | -38.5 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | R403 S409 | R403-S405 PolarHBondContact O-N 3.16Å; S405-S409 PolarHBondContact N-O 3.09Å | ||
| 406 | S | 85.9 | Confident | 91.3 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -155.5 | -170.9 | 178.3 | 73.8 | 0 | 0 | 0 | 0 | 112.1 | R404 V408 S409 | R404-S406 WeakPolarHBondContact CG-O 3.46Å; R404-S406 PolarHBondContact NE-O 3.45Å; S406-V408 PolarHBondContact O-N 2.05Å; S406-V408 VanDerWaalsContact OG-CG2 3.26Å; S406-V408 WeakPolarHBondContact OG-CG2 3.07Å; S406-V408 PolarHBondContact OG-N 2.86Å; S406-S409 PolarHBondContact N-O 3.19Å; S406-S409 PolarHBondContact OG-N 2.86Å; S406-S409 PolarHBondContact OG-OG 3.11Å |
| 407 | N | 84.1 | Confident | 91.4 | Very high | 59 Ų | 59 | 45.7 Ų | 45.7 | 32% | 0.316 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -72.1 | -9.7 | 168.9 | -170.7 | 40.9 | 0 | 0 | 0 | 113.1 | T385 H386 N387 R404 | T385-N407 PolarHBondContact O-ND2 2.96Å; H386-N407 PolarHBondContact CD2-OD1 3.29Å; N387-N407 VanDerWaalsContact CB-O 3.28Å; N387-N407 WeakPolarHBondContact CB-O 3.5Å; N387-N407 PolarHBondContact N-OD1 2.88Å; N387-N407 PolarHBondContact ND2-O 3.46Å; R404-N407 PolarHBondContact NH2-OD1 2.97Å; R404-N407 VanDerWaalsContact NH2-OD1 3.12Å |
| 408 | V | 85.6 | Confident | 91.6 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -124.1 | -2.8 | -176.3 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | Q377 A378 V381 S406 | Q377-V408 CarbonylContact C-O 3.58Å; Q377-V408 VanDerWaalsContact CA-O 3.32Å; Q377-V408 WeakPolarHBondContact CA-O 3.33Å; A378-V408 HydrophobicContact CB-CB 4.35Å; A378-V408 PolarHBondContact N-O 3.35Å; V381-V408 HydrophobicContact CB-CG1 4.32Å; V381-V408 HydrophobicContact CG1-CG1 3.85Å; V381-V408 HydrophobicContact CG2-CB 4.38Å; V381-V408 HydrophobicContact CG2-CG1 3.63Å; S406-V408 PolarHBondContact O-N 2.05Å; S406-V408 VanDerWaalsContact OG-CG2 3.26Å; S406-V408 WeakPolarHBondContact OG-CG2 3.07Å; S406-V408 PolarHBondContact OG-N 2.86Å |
| 409 | S | 89.8 | Confident | 91.5 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 149.6 | -178.1 | 60.2 | 0 | 0 | 0 | 0 | 114 | I376 S405 S406 | I376-S409 CarbonylContact O-C 3.56Å; I376-S409 WeakPolarHBondContact O-CA 3.45Å; I376-S409 WeakPolarHBondContact O-CB 3.08Å; S405-S409 PolarHBondContact N-O 3.09Å; S406-S409 PolarHBondContact N-O 3.19Å; S406-S409 PolarHBondContact OG-N 2.86Å; S406-S409 PolarHBondContact OG-OG 3.11Å |
| 410 | A | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I376 F389 L402 R403 | I376-A410 PolarHBondContact N-O 3.45Å; I376-A410 PolarHBondContact O-N 3.44Å; F389-A410 HydrophobicContact CB-CB 3.85Å; F389-A410 HydrophobicContact CD1-CB 4.28Å; F389-A410 HydrophobicContact CD2-CB 3.9Å; F389-A410 HydrophobicContact CG-CB 3.75Å; L402-A410 HydrophobicContact CD1-CB 4.08Å; L402-A410 HydrophobicContact CD2-CB 4.39Å; L402-A410 HydrophobicContact CG-CB 4.08Å; R403-A410 CarbonylContact O-C 3.58Å; R403-A410 WeakPolarHBondContact O-CA 2.99Å |
| 411 | M | 93.5 | Very high | 90.9 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126 | 177.6 | -171.4 | 62.5 | 76.5 | 0 | 0 | 109.7 | D372 F374 Q375 R403 V413 | D372-M411 HydrophobicContact CB-CE 4.36Å; D372-M411 HydrophobicContact CB-CG 3.75Å; D372-M411 HydrophobicContact CB-SD 3.93Å; F374-M411 VanDerWaalsContact C-SD 3.54Å; F374-M411 VanDerWaalsContact O-SD 3.37Å; Q375-M411 HydrophobicContact CB-CE 3.84Å; Q375-M411 HydrophobicContact CB-SD 3.98Å; Q375-M411 HydrophobicContact CG-CE 4.06Å; R403-M411 PolarHBondContact N-O 3.42Å; R403-M411 PolarHBondContact O-N 2.92Å; M411-V413 HydrophobicContact CG-CG2 4.27Å |
| 412 | L | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 120 | 166.9 | -168.7 | 68.5 | 0 | 0 | 0 | 108.2 | I373 F374 I391 F400 L402 L428 L447 I449 | I373-L412 HydrophobicContact CD1-CD2 3.96Å; I373-L412 HydrophobicContact CD1-CG 4.25Å; I373-L412 HydrophobicContact CG1-CB 4.33Å; I373-L412 HydrophobicContact CG1-CD2 4.25Å; I373-L412 HydrophobicContact CG1-CG 4.21Å; I373-L412 VanDerWaalsContact CG1-O 3.3Å; I373-L412 WeakPolarHBondContact CG1-O 3.42Å; I373-L412 PolarHBondContact N-O 3.34Å; F374-L412 HydrophobicContact CB-CB 4.01Å; F374-L412 HydrophobicContact CB-CD2 4.28Å; F374-L412 PolarHBondContact N-O 3.19Å; F374-L412 WeakPolarHBondContact O-CB 3.36Å; F374-L412 PolarHBondContact O-N 3.18Å; I391-L412 HydrophobicContact CD1-CD1 4.16Å; I391-L412 HydrophobicContact CG1-CD1 4.46Å; F400-L412 HydrophobicContact CB-CD1 3.94Å; F400-L412 HydrophobicContact CD1-CD2 4.27Å; F400-L412 HydrophobicContact CD1-CG 4.39Å; L402-L412 HydrophobicContact CD1-CB 4.34Å; L402-L412 HydrophobicContact CD1-CD1 4.1Å; L412-L428 HydrophobicContact CD1-CD2 3.99Å; L412-L428 HydrophobicContact CD2-CD1 4.43Å; L412-L447 HydrophobicContact CD2-CD2 3.76Å; L412-I449 HydrophobicContact CD2-CD1 4.31Å |
| 413 | V | 93.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.9 | -178 | -173 | 0 | 0 | 0 | 0 | 108.2 | P370 A371 D372 F400 F401 R403 M411 | P370-V413 HydrophobicContact CB-CG1 4.13Å; A371-V413 CarbonylContact O-C 3.48Å; A371-V413 VanDerWaalsContact O-CA 3.31Å; A371-V413 WeakPolarHBondContact O-CA 3.1Å; D372-V413 WeakPolarHBondContact OD1-CG2 3.48Å; F400-V413 WeakPolarHBondContact CA-O 3.49Å; F401-V413 HydrophobicContact CD1-CB 4.49Å; F401-V413 PolarHBondContact N-O 3.49Å; F401-V413 PolarHBondContact O-N 3.38Å; R403-V413 HydrophobicContact CB-CG2 3.98Å; M411-V413 HydrophobicContact CG-CG2 4.27Å |
| 414 | L | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 122.5 | 169.7 | -171.2 | 70.1 | 0 | 0 | 0 | 109.2 | I363 V369 P370 A371 I373 E399 F400 K416 L418 | I363-L414 HydrophobicContact CD1-CD2 4.37Å; V369-L414 HydrophobicContact CG1-CB 4.26Å; V369-L414 HydrophobicContact CG1-CD2 3.76Å; V369-L414 HydrophobicContact CG1-CG 3.77Å; P370-L414 VanDerWaalsContact CA-O 3.3Å; P370-L414 WeakPolarHBondContact CA-O 3.44Å; A371-L414 HydrophobicContact CB-CB 4.43Å; A371-L414 PolarHBondContact N-O 3.43Å; A371-L414 PolarHBondContact O-N 3.03Å; I373-L414 HydrophobicContact CD1-CB 4.16Å; I373-L414 HydrophobicContact CG1-CB 4.4Å; I373-L414 HydrophobicContact CG2-CB 3.92Å; E399-L414 WeakPolarHBondContact O-CD1 3.41Å; F400-L414 HydrophobicContact CD1-CD1 3.94Å; F400-L414 HydrophobicContact CE1-CD1 3.67Å; F400-L414 HydrophobicContact CZ-CD1 4.47Å; L414-K416 VanDerWaalsContact CD1-O 3.3Å; L414-K416 WeakPolarHBondContact CD1-O 3.47Å; L414-K416 WeakPolarHBondContact CG-O 3.42Å; L414-L418 HydrophobicContact CD1-CD1 3.72Å; L414-L418 HydrophobicContact CD1-CD2 4.06Å; L414-L418 HydrophobicContact CD1-CG 3.66Å; L414-L418 HydrophobicContact CD2-CG 4.32Å |
| 415 | T | 93.3 | Very high | 91.3 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | trans | -104.6 | -18.5 | -176.9 | 57.7 | 0 | 0 | 0 | 0 | 113 | G398 E399 F401 | G398-T415 PolarHBondContact O-OG1 2.04Å; E399-T415 PolarHBondContact O-N 3.26Å; E399-T415 PolarHBondContact O-OG1 3.42Å; F401-T415 HydrophobicContact CB-CG2 3.54Å | ||
| 416 | K | 93.2 | Very high | 91.7 | Very high | 101 Ų | 101 | 40.8 Ų | 40.8 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -131.8 | 141.8 | 177.3 | -63.2 | 179.9 | -177.4 | 175.7 | 0 | 109.5 | G397 E399 L414 | G397-K416 PolarHBondContact O-NZ 2.67Å; E399-K416 HydrophobicContact CB-CB 4.42Å; E399-K416 HydrophobicContact CG-CB 4.33Å; E399-K416 HydrophobicContact CG-CD 4.37Å; L414-K416 VanDerWaalsContact CD1-O 3.3Å; L414-K416 WeakPolarHBondContact CD1-O 3.47Å; L414-K416 WeakPolarHBondContact CG-O 3.42Å |
| 417 | P | 93.1 | Very high | 92.2 | Very high | 60 Ų | 60 | 39.6 Ų | 39.6 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -58.7 | 143.2 | 172.7 | 26.5 | -32.6 | 0 | 0 | 0 | 109.7 | E366 | E366-P417 WeakPolarHBondContact OE2-CB 3.39Š|
| 418 | L | 93.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -102.8 | 128.3 | 175.2 | -60 | -177.2 | 0 | 0 | 0 | 108.9 | I363 S365 E366 E399 F400 L414 Y424 V451 | I363-L418 HydrophobicContact CD1-CB 4.39Å; I363-L418 HydrophobicContact CD1-CD1 3.74Å; I363-L418 HydrophobicContact CD1-CG 4.36Å; S365-L418 WeakPolarHBondContact CA-O 3.26Å; S365-L418 PolarHBondContact OG-O 2.87Å; E366-L418 PolarHBondContact N-O 2.02Å; E399-L418 HydrophobicContact CB-CD2 3.77Å; E399-L418 HydrophobicContact CG-CD2 3.72Å; F400-L418 HydrophobicContact CE1-CD1 4.01Å; F400-L418 HydrophobicContact CZ-CD1 3.79Å; L414-L418 HydrophobicContact CD1-CD1 3.72Å; L414-L418 HydrophobicContact CD1-CD2 4.06Å; L414-L418 HydrophobicContact CD1-CG 3.66Å; L414-L418 HydrophobicContact CD2-CG 4.32Å; L418-Y424 HydrophobicContact CB-CE2 4.1Å; L418-Y424 HydrophobicContact CD1-CD2 3.94Å; L418-Y424 HydrophobicContact CD1-CE2 4.04Å; L418-Y424 HydrophobicContact CD1-CG 4.24Å; L418-Y424 HydrophobicContact CD2-CD1 4.39Å; L418-Y424 HydrophobicContact CD2-CE1 3.89Å; L418-Y424 HydrophobicContact CD2-CE2 4.23Å; L418-Y424 HydrophobicContact CG-CE2 4.35Å; L418-V451 HydrophobicContact CB-CG1 4.13Å; L418-V451 HydrophobicContact CB-CG2 3.81Å; L418-V451 HydrophobicContact CD1-CG2 3.9Å; L418-V451 HydrophobicContact CG-CG2 4.49Å |
| 419 | S | 91.1 | Very high | 93 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -88 | 133.2 | 170.6 | -43.3 | 0 | 0 | 0 | 0 | 109.7 | S365 E366 Y424 | S365-S419 WeakPolarHBondContact OG-CA 3.03Å; E366-S419 WeakPolarHBondContact OE1-CA 3.41Å; E366-S419 WeakPolarHBondContact OE1-CB 3.08Å; E366-S419 PolarHBondContact OE1-OG 3.01Å; S419-Y424 PolarHBondContact O-OH 3.49Å |
| 420 | G | 87.4 | Confident | 92.9 | Very high | 23 Ų | 23 | 35.3 Ų | 35.3 | 24% | 0.237 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -110.2 | -175.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S365 G452 | S365-G420 PolarHBondContact OG-N 3Å; S365-G420 VanDerWaalsContact OG-N 3.12Å; G420-G452 VanDerWaalsContact CA-O 3.29Å; G420-G452 WeakPolarHBondContact CA-O 3.26Å |
| 421 | P | 91 | Very high | 92.7 | Very high | 98 Ų | 98 | 37.4 Ų | 37.4 | 64% | 0.636 | 21% | 0.208 | S | C | * | . | S | Bend | cis | -73.6 | 118.9 | -4.7 | 29.3 | -32 | 0 | 0 | 0 | 110.7 | V451 A453 | P421-V451 WeakPolarHBondContact CA-O 3.5Å; P421-A453 HydrophobicContact CB-CB 4.08Å; P421-A453 HydrophobicContact CG-CB 4.12Å |
| 422 | K | 92.4 | Very high | 92.3 | Very high | 114 Ų | 114 | 36.3 Ų | 36.3 | 50% | 0.496 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 149.4 | -177.9 | -173.3 | 172.6 | 169.7 | -163.7 | 0 | 111.6 | Y424 V451 | K422-Y424 HydrophobicContact CB-CE2 4Å; K422-Y424 HydrophobicContact CD-CE1 4.47Å; K422-Y424 HydrophobicContact CD-CE2 4.08Å; K422-Y424 HydrophobicContact CG-CD2 4.5Å; K422-Y424 HydrophobicContact CG-CE2 3.94Å; K422-V451 PolarHBondContact N-O 3.25Å; K422-V451 WeakPolarHBondContact O-CB 3.03Å; K422-V451 PolarHBondContact O-N 3.12Å |
| 423 | E | 93.7 | Very high | 91.8 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.1 | 174.2 | -62 | -172.8 | 159.1 | 0 | 0 | 112.2 | R322 Y324 I449 I450 | R322-E423 WeakPolarHBondContact CD-OE1 3.44Å; R322-E423 IonicContact CZ-OE1 3.65Å; R322-E423 IonicContact CZ-OE2 3.98Å; R322-E423 IonicContact NE-OE1 3.53Å; R322-E423 PolarHBondContact NE-OE1 3.32Å; R322-E423 VanDerWaalsContact NE-OE1 3.16Å; R322-E423 IonicContact NH1-OE1 3.06Å; R322-E423 PolarHBondContact NH1-OE1 3.37Å; R322-E423 IonicContact NH1-OE2 3.8Å; R322-E423 PolarHBondContact NH1-OE2 2.04Å; R322-E423 IonicContact NH2-OE1 3.21Å; R322-E423 IonicContact NH2-OE2 2.74Å; R322-E423 PolarHBondContact NH2-OE2 3.29Å; R322-E423 VanDerWaalsContact NH2-OE2 3.13Å; Y324-E423 PolarHBondContact OH-OE1 3.37Å; Y324-E423 VanDerWaalsContact OH-OE1 3.04Å; E423-I449 WeakPolarHBondContact CA-O 3.07Å; E423-I450 HydrophobicContact CG-CG1 4.26Å; E423-I450 HydrophobicContact CG-CG2 4.35Å |
| 424 | Y | 94.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 39.7 Ų | 39.7 | 12% | 0.122 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.6 | 174.6 | -63.1 | -99.9 | 0 | 0 | 0 | 108 | F400 L418 S419 K422 T448 I449 V451 | F400-Y424 HydrophobicContact CE2-CD1 4.32Å; F400-Y424 HydrophobicContact CZ-CD1 4.37Å; F400-Y424 HydrophobicContact CZ-CG 4.3Å; L418-Y424 HydrophobicContact CB-CE2 4.1Å; L418-Y424 HydrophobicContact CD1-CD2 3.94Å; L418-Y424 HydrophobicContact CD1-CE2 4.04Å; L418-Y424 HydrophobicContact CD1-CG 4.24Å; L418-Y424 HydrophobicContact CD2-CD1 4.39Å; L418-Y424 HydrophobicContact CD2-CE1 3.89Å; L418-Y424 HydrophobicContact CD2-CE2 4.23Å; L418-Y424 HydrophobicContact CG-CE2 4.35Å; S419-Y424 PolarHBondContact O-OH 3.49Å; K422-Y424 HydrophobicContact CB-CE2 4Å; K422-Y424 HydrophobicContact CD-CE1 4.47Å; K422-Y424 HydrophobicContact CD-CE2 4.08Å; K422-Y424 HydrophobicContact CG-CD2 4.5Å; K422-Y424 HydrophobicContact CG-CE2 3.94Å; Y424-T448 WeakPolarHBondContact O-CA 3.36Å; Y424-I449 PolarHBondContact N-O 3.45Å; Y424-I449 PolarHBondContact O-N 3.43Å; Y424-V451 HydrophobicContact CD2-CG2 3.65Å; Y424-V451 HydrophobicContact CE2-CB 4.46Å; Y424-V451 HydrophobicContact CE2-CG2 3.6Å |
| 425 | V | 95.7 | Very high | 90.6 | Very high | 65 Ų | 65 | 44.6 Ų | 44.6 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112.6 | 176.7 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | G394 R446 L447 T448 | G394-V425 VanDerWaalsContact CA-O 3.27Å; G394-V425 WeakPolarHBondContact CA-O 3.08Å; V425-R446 HydrophobicContact CG1-CG 3.66Å; V425-L447 WeakPolarHBondContact CA-O 3.11Å; V425-T448 HydrophobicContact CG2-CG2 4.4Å |
| 426 | V | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.5 | -179.2 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | I391 F400 L428 L447 I449 | I391-V426 HydrophobicContact CG2-CG1 3.86Å; F400-V426 HydrophobicContact CD2-CG2 3.71Å; F400-V426 HydrophobicContact CE1-CG2 4.46Å; F400-V426 HydrophobicContact CE2-CG2 3.49Å; F400-V426 VanDerWaalsContact CE2-CG2 3.49Å; F400-V426 HydrophobicContact CG-CG2 4.29Å; F400-V426 HydrophobicContact CZ-CG2 3.9Å; V426-L428 HydrophobicContact CG1-CD2 3.86Å; V426-L428 HydrophobicContact CG1-CG 4.14Å; V426-L447 PolarHBondContact N-O 2.91Å; V426-L447 PolarHBondContact O-N 2.89Å; V426-I449 HydrophobicContact CG2-CD1 4.2Å |
| 427 | D | 95.4 | Very high | 89 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 10% | 0.096 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.1 | 177.1 | -84.6 | -5.5 | 0 | 0 | 0 | 109 | K392 A393 L444 R446 | K392-D427 HydrophobicContact CB-CB 4.27Å; K392-D427 WeakPolarHBondContact CB-O 3.49Å; K392-D427 PolarHBondContact N-O 3.42Å; A393-D427 HydrophobicContact CB-CB 4.08Å; A393-D427 PolarHBondContact N-O 3.4Å; A393-D427 PolarHBondContact O-N 2.77Å; D427-L444 HydrophobicContact CB-CD1 4.11Å; D427-R446 WeakPolarHBondContact OD1-CB 3.17Å; D427-R446 WeakPolarHBondContact OD1-CG 3.4Å; D427-R446 IonicContact OD1-CZ 2.85Å; D427-R446 IonicContact OD1-NE 3.61Å; D427-R446 PolarHBondContact OD1-NE 2.92Å; D427-R446 IonicContact OD1-NH2 3.62Å; D427-R446 IonicContact OD2-CZ 2.75Å; D427-R446 IonicContact OD2-NE 3.61Å; D427-R446 IonicContact OD2-NH2 2.72Å; D427-R446 PolarHBondContact OD2-NH2 3.25Å |
| 428 | L | 94.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.3 | -178 | -59.3 | 164.8 | 0 | 0 | 0 | 108.9 | I376 I391 L402 L412 V426 L445 L447 | I376-L428 HydrophobicContact CD1-CB 3.9Å; I376-L428 HydrophobicContact CD1-CD1 3.65Å; I376-L428 HydrophobicContact CD1-CD2 4.13Å; I376-L428 HydrophobicContact CD1-CG 4.09Å; I376-L428 HydrophobicContact CG1-CD1 4.16Å; I391-L428 HydrophobicContact CG1-CD2 3.86Å; L402-L428 HydrophobicContact CD1-CD2 4.39Å; L412-L428 HydrophobicContact CD1-CD2 3.99Å; L412-L428 HydrophobicContact CD2-CD1 4.43Å; V426-L428 HydrophobicContact CG1-CD2 3.86Å; V426-L428 HydrophobicContact CG1-CG 4.14Å; L428-L445 HydrophobicContact CB-CB 4.21Å; L428-L445 HydrophobicContact CB-CD2 4.39Å; L428-L445 HydrophobicContact CD1-CD2 3.86Å; L428-L445 HydrophobicContact CD1-CG 4.44Å; L428-L445 PolarHBondContact N-O 3.14Å; L428-L445 PolarHBondContact O-N 2.96Å; L428-L447 HydrophobicContact CD1-CB 4.18Å; L428-L447 HydrophobicContact CD1-CD2 4.13Å |
| 429 | E | 92 | Very high | 87.5 | Confident | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.1 | -177.3 | -168.9 | 179 | -115.2 | 0 | 0 | 111 | F389 R390 K392 I431 L444 | F389-E429 WeakPolarHBondContact CA-O 3.3Å; R390-E429 HydrophobicContact CG-CB 4.17Å; R390-E429 IonicContact CZ-OE2 2.88Å; R390-E429 PolarHBondContact N-O 3.27Å; R390-E429 IonicContact NE-OE2 3.83Å; R390-E429 PolarHBondContact NE-OE2 3.5Å; R390-E429 IonicContact NH2-OE2 2.66Å; R390-E429 PolarHBondContact NH2-OE2 2.89Å; R390-E429 PolarHBondContact O-N 2.73Å; K392-E429 HydrophobicContact CB-CB 4.14Å; K392-E429 HydrophobicContact CD-CB 4.31Å; K392-E429 IonicContact NZ-OE1 3.69Å; K392-E429 PolarHBondContact NZ-OE1 2.97Å; E429-I431 HydrophobicContact CG-CG1 4.22Å; E429-L444 HydrophobicContact CB-CD1 4.18Å |
| 430 | M | 88.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.7 | 166.4 | -177 | -175.5 | 75.2 | 0 | 0 | 109.1 | V6 L8 A378 N387 S388 F389 S442 S443 | V6-M430 HydrophobicContact CG1-CE 3.92Å; L8-M430 HydrophobicContact CD1-CB 3.65Å; L8-M430 HydrophobicContact CD1-CE 4.32Å; L8-M430 HydrophobicContact CD1-SD 4.49Å; L8-M430 HydrophobicContact CD2-CB 4.02Å; L8-M430 HydrophobicContact CD2-CE 4.25Å; L8-M430 HydrophobicContact CD2-CG 4.44Å; L8-M430 HydrophobicContact CD2-SD 3.66Å; L8-M430 HydrophobicContact CG-CB 4Å; L8-M430 HydrophobicContact CG-CE 3.7Å; L8-M430 HydrophobicContact CG-SD 3.79Å; A378-M430 HydrophobicContact CB-SD 3.75Å; N387-M430 HydrophobicContact CB-CG 4.26Å; N387-M430 HydrophobicContact CB-SD 4.39Å; S388-M430 CarbonylContact O-C 3.54Å; S388-M430 WeakPolarHBondContact O-CA 3.48Å; F389-M430 HydrophobicContact CD1-CB 4.02Å; F389-M430 HydrophobicContact CD1-CG 3.94Å; F389-M430 HydrophobicContact CE1-CB 4.08Å; F389-M430 HydrophobicContact CE1-CG 3.63Å; F389-M430 HydrophobicContact CE1-SD 3.69Å; F389-M430 HydrophobicContact CZ-CG 4.27Å; F389-M430 HydrophobicContact CZ-SD 4.15Å; M430-S442 CarbonylContact O-C 3.54Å; M430-S442 WeakPolarHBondContact O-CA 3.4Å; M430-S443 PolarHBondContact N-O 3.07Å; M430-S443 PolarHBondContact O-N 3.29Å |
| 431 | I | 87.1 | Confident | 86.5 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.6 | 173.3 | -55.8 | 172.9 | 0 | 0 | 0 | 107.6 | N387 S388 E429 A441 | N387-I431 WeakPolarHBondContact CA-O 3.38Å; S388-I431 PolarHBondContact N-O 2.97Å; S388-I431 PolarHBondContact O-N 2.74Å; E429-I431 HydrophobicContact CG-CG1 4.22Å; I431-A441 CarbonylContact C-O 3.56Å; I431-A441 WeakPolarHBondContact CA-O 3.4Å |
| 432 | T | 84.4 | Confident | 86.1 | Confident | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.3 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | V6 T385 N387 R440 A441 | V6-T432 HydrophobicContact CB-CG2 4.44Å; V6-T432 HydrophobicContact CG1-CG2 4.04Å; V6-T432 WeakPolarHBondContact CG1-OG1 3.32Å; V6-T432 HydrophobicContact CG2-CG2 4.06Å; T385-T432 HydrophobicContact CG2-CG2 3.87Å; N387-T432 WeakPolarHBondContact OD1-CB 3.42Å; N387-T432 VanDerWaalsContact OD1-CG2 3.28Å; N387-T432 WeakPolarHBondContact OD1-CG2 3.33Å; N387-T432 PolarHBondContact OD1-OG1 2.79Å; T432-R440 WeakPolarHBondContact O-CA 3.47Å; T432-A441 PolarHBondContact N-O 2.7Å; T432-A441 PolarHBondContact O-N 2.81Å |
| 433 | H | 84.1 | Confident | 85.7 | Confident | 43 Ų | 43 | 54 Ų | 54 | 20% | 0.199 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119 | 172.3 | -172.9 | -130.1 | 0 | 0 | 0 | 109.8 | T385 H386 N438 Y439 | T385-H433 WeakPolarHBondContact CA-O 3.29Å; H386-H433 PolarHBondContact N-O 3.04Å; H386-H433 PolarHBondContact O-N 2.82Å; H433-N438 PolarHBondContact NE2-OD1 3.32Å; H433-Y439 PolarHBondContact CD2-O 2.82Å |
| 434 | H | 82.1 | Confident | 85.6 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 17% | 0.167 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 112.3 | 174.6 | -163.3 | -56 | 0 | 0 | 0 | 109.3 | T385 T436 M437 N438 Y439 | T385-H434 HydrophobicContact CG2-CB 4.34Å; H434-T436 PolarHBondContact CE1-OG1 2.77Å; H434-T436 PolarHBondContact ND1-N 2.6Å; H434-T436 PolarHBondContact ND1-OG1 3.34Å; H434-T436 VanDerWaalsContact ND1-OG1 3.13Å; H434-T436 PolarHBondContact O-N 2.93Å; H434-M437 PolarHBondContact ND1-N 2.78Å; H434-N438 WeakPolarHBondContact O-CA 3.41Å; H434-N438 PolarHBondContact O-N 3.41Å; H434-Y439 PolarHBondContact N-O 2.91Å; H434-Y439 PolarHBondContact O-N 3.16Å |
| 435 | L | 78.9 | Confident | 85.5 | Confident | 103 Ų | 103 | 50.3 Ų | 50.3 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -34.4 | -168 | -62.9 | 173.7 | 0 | 0 | 0 | 113.1 | N384 | N384-L435 PolarHBondContact O-N 3.5Š|
| 436 | T | 79.3 | Confident | 85.5 | Confident | 95 Ų | 95 | 50 Ų | 50 | 58% | 0.583 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -36.9 | -178.9 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | N384 H434 | N384-T436 HydrophobicContact CB-CG2 4.18Å; H434-T436 PolarHBondContact CE1-OG1 2.77Å; H434-T436 PolarHBondContact ND1-N 2.6Å; H434-T436 PolarHBondContact ND1-OG1 3.34Å; H434-T436 VanDerWaalsContact ND1-OG1 3.13Å; H434-T436 PolarHBondContact O-N 2.93Å |
| 437 | M | 74.6 | Confident | 85.4 | Confident | 142 Ų | 142 | 50 Ų | 50 | 70% | 0.7 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -3.9 | -179.7 | -60.7 | -169.4 | -171.4 | 0 | 0 | 112.9 | H434 Y439 | H434-M437 PolarHBondContact ND1-N 2.78Å; M437-Y439 PolarHBondContact O-N 2.67Å; M437-Y439 VanDerWaalsContact O-N 3.15Å |
| 438 | N | 76.9 | Confident | 85.4 | Confident | 119 Ų | 119 | 49.7 Ų | 49.7 | 64% | 0.636 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 38.6 | -172.8 | -163 | 26 | 0 | 0 | 0 | 113.5 | H433 H434 | H433-N438 PolarHBondContact NE2-OD1 3.32Å; H434-N438 WeakPolarHBondContact O-CA 3.41Å; H434-N438 PolarHBondContact O-N 3.41Å |
| 439 | Y | 77.4 | Confident | 85.4 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 49% | 0.49 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.7 | -177.9 | 175.4 | -105 | 0 | 0 | 0 | 110.1 | H433 H434 M437 A441 | H433-Y439 PolarHBondContact CD2-O 2.82Å; H434-Y439 PolarHBondContact N-O 2.91Å; H434-Y439 PolarHBondContact O-N 3.16Å; M437-Y439 PolarHBondContact O-N 2.67Å; M437-Y439 VanDerWaalsContact O-N 3.15Å; Y439-A441 HydrophobicContact CE1-CB 3.83Å |
| 440 | R | 78.3 | Confident | 85.6 | Confident | 184 Ų | 184 | 49.3 Ų | 49.3 | 69% | 0.694 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.6 | 175.9 | -70.7 | -176.7 | 178.7 | -178.3 | -0.1 | 109.7 | T432 | T432-R440 WeakPolarHBondContact O-CA 3.47Å |
| 441 | A | 78.3 | Confident | 85.9 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I431 T432 Y439 | I431-A441 CarbonylContact C-O 3.56Å; I431-A441 WeakPolarHBondContact CA-O 3.4Å; T432-A441 PolarHBondContact N-O 2.7Å; T432-A441 PolarHBondContact O-N 2.81Å; Y439-A441 HydrophobicContact CE1-CB 3.83Å |
| 442 | S | 82.9 | Confident | 86.1 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.1 | 172.4 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | P354 M430 | P354-S442 WeakPolarHBondContact CD-O 3.33Å; P354-S442 WeakPolarHBondContact CD-OG 3.21Å; P354-S442 WeakPolarHBondContact CG-O 3.42Å; M430-S442 CarbonylContact O-C 3.54Å; M430-S442 WeakPolarHBondContact O-CA 3.4Å |
| 443 | S | 84.6 | Confident | 86.4 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.1 | 173.5 | -63.9 | 0 | 0 | 0 | 0 | 108.2 | V6 M430 | V6-S443 PolarHBondContact O-OG 2.77Å; V6-S443 VanDerWaalsContact O-OG 3.08Å; M430-S443 PolarHBondContact N-O 3.07Å; M430-S443 PolarHBondContact O-N 3.29Å |
| 444 | L | 91.6 | Very high | 86.6 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.2 | -178.9 | -169.7 | 71.3 | 0 | 0 | 0 | 110 | P353 S355 I356 V357 K392 D427 E429 | P353-L444 HydrophobicContact CB-CB 3.82Å; P353-L444 HydrophobicContact CB-CD2 4.42Å; P353-L444 HydrophobicContact CG-CB 3.96Å; P353-L444 HydrophobicContact CG-CD2 3.66Å; P353-L444 HydrophobicContact CG-CG 4.37Å; S355-L444 PolarHBondContact O-N 3.05Å; S355-L444 VanDerWaalsContact O-N 3.08Å; I356-L444 CarbonylContact C-O 3.59Å; I356-L444 VanDerWaalsContact CA-O 3.31Å; I356-L444 WeakPolarHBondContact CA-O 3.41Å; I356-L444 HydrophobicContact CG1-CB 4.36Å; I356-L444 HydrophobicContact CG1-CD2 4.33Å; I356-L444 HydrophobicContact CG2-CD2 4.42Å; V357-L444 PolarHBondContact N-O 3.37Å; K392-L444 HydrophobicContact CB-CD1 4.48Å; K392-L444 HydrophobicContact CD-CD1 3.73Å; D427-L444 HydrophobicContact CB-CD1 4.11Å; E429-L444 HydrophobicContact CB-CD1 4.18Å |
| 445 | L | 93 | Very high | 86.6 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.7 | 168.1 | 169.4 | 69.6 | 0 | 0 | 0 | 107.4 | L8 V357 K359 F374 I376 L428 | L8-L445 HydrophobicContact CD1-CB 4.48Å; V357-L445 HydrophobicContact CB-CD1 4.04Å; V357-L445 HydrophobicContact CG1-CD1 3.94Å; V357-L445 CarbonylContact O-C 3.57Å; V357-L445 WeakPolarHBondContact O-CA 3.28Å; K359-L445 HydrophobicContact CB-CD1 4Å; K359-L445 HydrophobicContact CG-CD1 3.56Å; F374-L445 HydrophobicContact CD1-CD2 4.48Å; F374-L445 HydrophobicContact CE1-CD2 3.52Å; F374-L445 HydrophobicContact CZ-CD2 3.98Å; I376-L445 HydrophobicContact CG1-CD2 4.35Å; I376-L445 HydrophobicContact CG2-CD2 4.43Å; L428-L445 HydrophobicContact CB-CB 4.21Å; L428-L445 HydrophobicContact CB-CD2 4.39Å; L428-L445 HydrophobicContact CD1-CD2 3.86Å; L428-L445 HydrophobicContact CD1-CG 4.44Å; L428-L445 PolarHBondContact N-O 3.14Å; L428-L445 PolarHBondContact O-N 2.96Å |
| 446 | R | 94.6 | Very high | 86.3 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 22% | 0.219 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 107.6 | 170.9 | -178.4 | 160.8 | -72.7 | 162.2 | -2.1 | 108.1 | E330 I356 V357 Y358 K359 V425 D427 | E330-R446 IonicContact OE1-NH1 2.78Å; E330-R446 PolarHBondContact OE1-NH1 2.96Å; I356-R446 HydrophobicContact CG2-CB 4.36Å; V357-R446 PolarHBondContact O-N 2.94Å; Y358-R446 WeakPolarHBondContact CA-O 3.48Å; Y358-R446 HydrophobicContact CD1-CB 4.15Å; Y358-R446 HydrophobicContact CD1-CG 4.25Å; Y358-R446 HydrophobicContact CE1-CB 4.27Å; Y358-R446 HydrophobicContact CE1-CG 4.26Å; K359-R446 PolarHBondContact N-O 3.08Å; V425-R446 HydrophobicContact CG1-CG 3.66Å; D427-R446 WeakPolarHBondContact OD1-CB 3.17Å; D427-R446 WeakPolarHBondContact OD1-CG 3.4Å; D427-R446 IonicContact OD1-CZ 2.85Å; D427-R446 IonicContact OD1-NE 3.61Å; D427-R446 PolarHBondContact OD1-NE 2.92Å; D427-R446 IonicContact OD1-NH2 3.62Å; D427-R446 IonicContact OD2-CZ 2.75Å; D427-R446 IonicContact OD2-NE 3.61Å; D427-R446 IonicContact OD2-NH2 2.72Å; D427-R446 PolarHBondContact OD2-NH2 3.25Å |
| 447 | L | 95.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.6 | 179.9 | 179.4 | 65.4 | 0 | 0 | 0 | 109.3 | K359 M361 F374 L412 V425 V426 L428 I449 | K359-L447 HydrophobicContact CB-CD1 3.86Å; K359-L447 CarbonylContact O-C 3.58Å; K359-L447 WeakPolarHBondContact O-CA 3.37Å; M361-L447 HydrophobicContact CG-CD1 3.99Å; M361-L447 HydrophobicContact CG-CG 4.49Å; M361-L447 HydrophobicContact SD-CD1 4.08Å; M361-L447 HydrophobicContact SD-CD2 3.94Å; M361-L447 HydrophobicContact SD-CG 4.33Å; F374-L447 HydrophobicContact CB-CD2 3.96Å; F374-L447 HydrophobicContact CD1-CD2 4.03Å; F374-L447 HydrophobicContact CD2-CD1 3.88Å; F374-L447 HydrophobicContact CD2-CD2 3.96Å; F374-L447 HydrophobicContact CE2-CD1 3.77Å; F374-L447 HydrophobicContact CE2-CD2 4.49Å; F374-L447 HydrophobicContact CG-CD1 4.44Å; F374-L447 HydrophobicContact CG-CD2 3.71Å; F374-L447 HydrophobicContact CZ-CD1 4.25Å; L412-L447 HydrophobicContact CD2-CD2 3.76Å; V425-L447 WeakPolarHBondContact CA-O 3.11Å; V426-L447 PolarHBondContact N-O 2.91Å; V426-L447 PolarHBondContact O-N 2.89Å; L428-L447 HydrophobicContact CD1-CB 4.18Å; L428-L447 HydrophobicContact CD1-CD2 4.13Å; L447-I449 HydrophobicContact CD2-CD1 4.11Å; L447-I449 HydrophobicContact CD2-CG1 4.05Å; L447-I449 HydrophobicContact CG-CD1 4.49Å; L447-I449 HydrophobicContact CG-CG1 3.94Å |
| 448 | T | 95.1 | Very high | 87.3 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.6 | 171 | -57.6 | 0 | 0 | 0 | 0 | 108.9 | K359 Y360 M361 Y424 V425 I450 | K359-T448 PolarHBondContact O-N 2.82Å; Y360-T448 CarbonylContact C-O 3.48Å; Y360-T448 WeakPolarHBondContact CA-O 3.47Å; Y360-T448 HydrophobicContact CD1-CG2 4.21Å; M361-T448 PolarHBondContact N-O 2.95Å; Y424-T448 WeakPolarHBondContact O-CA 3.36Å; V425-T448 HydrophobicContact CG2-CG2 4.4Å; T448-I450 HydrophobicContact CG2-CG1 4.26Å |
| 449 | I | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115.4 | 178 | -52.4 | 172.8 | 0 | 0 | 0 | 107.3 | M361 I363 I373 F400 L412 E423 Y424 V426 L447 V451 | M361-I449 HydrophobicContact CG-CB 4.21Å; M361-I449 HydrophobicContact CG-CG1 3.83Å; M361-I449 HydrophobicContact CG-CG2 4.19Å; M361-I449 WeakPolarHBondContact O-CA 3.42Å; M361-I449 HydrophobicContact SD-CD1 4.38Å; M361-I449 HydrophobicContact SD-CG1 3.92Å; I363-I449 HydrophobicContact CD1-CG2 3.98Å; I363-I449 HydrophobicContact CG1-CG2 3.91Å; I363-I449 HydrophobicContact CG2-CG2 4.27Å; I373-I449 HydrophobicContact CD1-CD1 3.96Å; F400-I449 HydrophobicContact CD1-CD1 4.35Å; F400-I449 HydrophobicContact CE1-CD1 3.49Å; F400-I449 VanDerWaalsContact CE1-CD1 3.49Å; F400-I449 HydrophobicContact CZ-CD1 3.74Å; L412-I449 HydrophobicContact CD2-CD1 4.31Å; E423-I449 WeakPolarHBondContact CA-O 3.07Å; Y424-I449 PolarHBondContact N-O 3.45Å; Y424-I449 PolarHBondContact O-N 3.43Å; V426-I449 HydrophobicContact CG2-CD1 4.2Å; L447-I449 HydrophobicContact CD2-CD1 4.11Å; L447-I449 HydrophobicContact CD2-CG1 4.05Å; L447-I449 HydrophobicContact CG-CD1 4.49Å; L447-I449 HydrophobicContact CG-CG1 3.94Å; I449-V451 HydrophobicContact CG2-CG2 4.49Å |
| 450 | I | 95.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 115.8 | 179.9 | -50.5 | 163.2 | 0 | 0 | 0 | 107.5 | W315 Y317 Y324 M361 S362 I363 E423 T448 | W315-I450 VanDerWaalsContact CD1-CD1 3.44Å; W315-I450 HydrophobicContact CG-CD1 4.45Å; Y317-I450 HydrophobicContact CD1-CD1 4.3Å; Y317-I450 HydrophobicContact CD1-CG2 3.71Å; Y317-I450 HydrophobicContact CD2-CG2 3.64Å; Y317-I450 HydrophobicContact CE1-CG2 4.13Å; Y317-I450 HydrophobicContact CE2-CG2 4.09Å; Y317-I450 HydrophobicContact CG-CB 4.27Å; Y317-I450 HydrophobicContact CG-CG2 3.45Å; Y317-I450 VanDerWaalsContact CG-CG2 3.45Å; Y324-I450 HydrophobicContact CE2-CD1 4.05Å; Y324-I450 WeakPolarHBondContact OH-CD1 3.16Å; M361-I450 PolarHBondContact O-N 2.84Å; S362-I450 CarbonylContact C-O 3.6Å; S362-I450 VanDerWaalsContact CA-O 3.25Å; S362-I450 WeakPolarHBondContact CA-O 3.01Å; I363-I450 PolarHBondContact N-O 3.28Å; E423-I450 HydrophobicContact CG-CG1 4.26Å; E423-I450 HydrophobicContact CG-CG2 4.35Å; T448-I450 HydrophobicContact CG2-CG1 4.26Å |
| 451 | V | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.3 | 179.9 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | I363 L418 P421 K422 Y424 I449 | I363-V451 HydrophobicContact CD1-CG2 3.99Å; I363-V451 HydrophobicContact CG1-CB 4.37Å; I363-V451 HydrophobicContact CG1-CG1 4.33Å; I363-V451 HydrophobicContact CG1-CG2 3.83Å; I363-V451 WeakPolarHBondContact O-CA 3.32Å; L418-V451 HydrophobicContact CB-CG1 4.13Å; L418-V451 HydrophobicContact CB-CG2 3.81Å; L418-V451 HydrophobicContact CD1-CG2 3.9Å; L418-V451 HydrophobicContact CG-CG2 4.49Å; P421-V451 WeakPolarHBondContact CA-O 3.5Å; K422-V451 PolarHBondContact N-O 3.25Å; K422-V451 WeakPolarHBondContact O-CB 3.03Å; K422-V451 PolarHBondContact O-N 3.12Å; Y424-V451 HydrophobicContact CD2-CG2 3.65Å; Y424-V451 HydrophobicContact CE2-CB 4.46Å; Y424-V451 HydrophobicContact CE2-CG2 3.6Å; I449-V451 HydrophobicContact CG2-CG2 4.49Å |
| 452 | G | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -62.1 | 163.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y318 I363 S365 G420 Y454 | Y318-G452 WeakPolarHBondContact O-CA 3.21Å; I363-G452 PolarHBondContact O-N 2.75Å; S365-G452 WeakPolarHBondContact CB-O 3.47Å; G420-G452 VanDerWaalsContact CA-O 3.29Å; G420-G452 WeakPolarHBondContact CA-O 3.26Å; G452-Y454 VanDerWaalsContact C-N 3.33Å | ||
| 453 | A | 89.6 | Confident | 90.4 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 29% | 0.289 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -72.7 | -26.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P421 | P421-A453 HydrophobicContact CB-CB 4.08Å; P421-A453 HydrophobicContact CG-CB 4.12Å |
| 454 | Y | 89.3 | Confident | 90.8 | Very high | 58 Ų | 58 | 24.7 Ų | 24.7 | 23% | 0.227 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -117.6 | 148.9 | -169.1 | -55.5 | -76.7 | 0 | 0 | 0 | 112.4 | Y270 P284 Y287 S365 G452 F456 | Y270-Y454 AromaticContact CE2-CD1 3.77Å; Y270-Y454 HydrophobicContact CE2-CD1 3.77Å; Y270-Y454 HydrophobicContact CE2-CE1 4.01Å; Y270-Y454 AromaticContact CZ-CE1 4Å; P284-Y454 HydrophobicContact CB-CD1 4.23Å; P284-Y454 HydrophobicContact CB-CD2 3.94Å; P284-Y454 HydrophobicContact CB-CE1 3.72Å; P284-Y454 HydrophobicContact CB-CE2 3.4Å; P284-Y454 HydrophobicContact CB-CG 4.33Å; P284-Y454 HydrophobicContact CG-CD1 4.22Å; P284-Y454 HydrophobicContact CG-CD2 3.62Å; P284-Y454 HydrophobicContact CG-CE1 4.21Å; P284-Y454 HydrophobicContact CG-CE2 3.62Å; P284-Y454 HydrophobicContact CG-CG 3.94Å; Y287-Y454 HydrophobicContact CD2-CD2 4.39Å; Y287-Y454 AromaticContact CE2-CD2 3.83Å; Y287-Y454 HydrophobicContact CE2-CD2 3.83Å; Y287-Y454 HydrophobicContact CE2-CE2 4.46Å; S365-Y454 WeakPolarHBondContact CB-O 3.35Å; S365-Y454 PolarHBondContact N-O 2.77Å; G452-Y454 VanDerWaalsContact C-N 3.33Å; Y454-F456 HydrophobicContact CD2-CE2 4.16Å; Y454-F456 AromaticContact CG-CE2 3.87Å; Y454-F456 HydrophobicContact CG-CE2 3.87Å; Y454-F456 HydrophobicContact CG-CZ 4.16Å; Y454-F456 PolarHBondContact O-N 2.04Å |
| 455 | P | 82.4 | Confident | 90.7 | Very high | 79 Ų | 79 | 26.4 Ų | 26.4 | 51% | 0.513 | 14% | 0.138 | S | C | . | . | trans | -91.6 | 19.1 | -168.9 | 37.7 | -38.8 | 0 | 0 | 0 | 116.1 | S365 E366 | S365-P455 WeakPolarHBondContact O-CA 3.03Å; E366-P455 HydrophobicContact CB-CB 3.71Å; E366-P455 HydrophobicContact CG-CB 3.99Å | ||
| 456 | F | 72.2 | Confident | 90.5 | Very high | 64 Ų | 64 | 28.1 Ų | 28.1 | 28% | 0.281 | 15% | 0.147 | S | C | . | . | trans | -45.4 | 0 | -168.4 | -66.8 | -50.7 | 0 | 0 | 0 | 117.7 | Q269 Y270 P284 Y287 Q364 Y454 | Q269-F456 HydrophobicContact CG-CD1 3.7Å; Q269-F456 HydrophobicContact CG-CE1 4.18Å; Q269-F456 HydrophobicContact CG-CG 4.44Å; Y270-F456 AromaticContact CD2-CE1 3.55Å; Y270-F456 HydrophobicContact CD2-CE1 3.55Å; Y270-F456 AromaticContact CD2-CZ 3.53Å; Y270-F456 HydrophobicContact CD2-CZ 3.53Å; Y270-F456 HydrophobicContact CE2-CZ 4.38Å; Y270-F456 AromaticContact CG-CE1 3.93Å; Y270-F456 HydrophobicContact CG-CE1 3.93Å; Y270-F456 AromaticContact CG-CZ 3.84Å; Y270-F456 HydrophobicContact CG-CZ 3.84Å; P284-F456 HydrophobicContact CG-CE2 3.72Å; P284-F456 HydrophobicContact CG-CZ 3.53Å; Y287-F456 HydrophobicContact CD1-CD2 4.36Å; Y287-F456 HydrophobicContact CD1-CE2 4.12Å; Y287-F456 HydrophobicContact CD2-CE2 4.2Å; Y287-F456 AromaticContact CE1-CD2 3.74Å; Y287-F456 HydrophobicContact CE1-CD2 3.74Å; Y287-F456 AromaticContact CE1-CE2 3.85Å; Y287-F456 HydrophobicContact CE1-CE2 3.85Å; Y287-F456 HydrophobicContact CE2-CD2 4.39Å; Y287-F456 AromaticContact CE2-CE2 3.91Å; Y287-F456 HydrophobicContact CE2-CE2 3.91Å; Y287-F456 HydrophobicContact CG-CE2 4.3Å; Y287-F456 AromaticContact CZ-CD2 3.75Å; Y287-F456 AromaticContact CZ-CE2 3.74Å; Q364-F456 PolarHBondContact NE2-O 3.45Å; Q364-F456 PolarHBondContact OE1-O 2.81Å; Y454-F456 HydrophobicContact CD2-CE2 4.16Å; Y454-F456 AromaticContact CG-CE2 3.87Å; Y454-F456 HydrophobicContact CG-CE2 3.87Å; Y454-F456 HydrophobicContact CG-CZ 4.16Å; Y454-F456 PolarHBondContact O-N 2.04Å |
Retrieved 456 of 456 residues in 188.9 ms
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