| 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 | W | 32.6 | Very low | 56.2 | Low | 235 Ų | 235 | 99.6 Ų | 99.6 | 89% | 0.89 | 54% | 0.542 | S | S | * | . | 0 | -6.3 | 0 | -62.9 | 94 | 0 | 0 | 0 | 113.5 | |||||
| 2 | M | 26.1 | Very low | 59.1 | Low | 172 Ų | 172 | 94 Ų | 94 | 85% | 0.847 | 51% | 0.511 | S | S | * | . | trans | -78 | 123.5 | 163.4 | -84.4 | -178.7 | -81.3 | 0 | 0 | 109.2 | ||||
| 3 | E | 37.8 | Very low | 61.7 | Low | 138 Ų | 138 | 96.2 Ų | 96.2 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | trans | 68.2 | 48.5 | 157 | -63.3 | -179.9 | 170.8 | 0 | 0 | 120.3 | M5 P273 | E3-M5 PolarHBondContact O-N 2.96Å; E3-M5 VanDerWaalsContact O-N 3.1Å; E3-P273 HydrophobicContact CB-CG 4.21Å; E3-P273 WeakPolarHBondContact O-CB 3.34Å; E3-P273 VanDerWaalsContact O-CD 3.31Å; E3-P273 WeakPolarHBondContact O-CD 3.38Å; E3-P273 WeakPolarHBondContact O-CG 3.49Å | ||
| 4 | V | 41.9 | Very low | 64.1 | Low | 46 Ų | 46 | 92.3 Ų | 92.3 | 28% | 0.279 | 49% | 0.494 | S | S | . | . | trans | -81.3 | 71.6 | 148.3 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | P270 | V4-P270 HydrophobicContact CB-CG 4.2Å; V4-P270 HydrophobicContact CG1-CB 3.85Å; V4-P270 HydrophobicContact CG1-CG 3.33Å; V4-P270 HydrophobicContact CG2-CG 4.22Å | ||
| 5 | M | 47.3 | Very low | 66.2 | Low | 93 Ų | 93 | 90.4 Ų | 90.4 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | trans | -85.2 | 125.1 | 166.5 | -67.3 | -176.6 | 87.9 | 0 | 0 | 108.2 | E3 A7 | E3-M5 PolarHBondContact O-N 2.96Å; E3-M5 VanDerWaalsContact O-N 3.1Å; M5-A7 PolarHBondContact O-N 3.12Å | ||
| 6 | A | 53.5 | Low | 68 | Low | 41 Ų | 41 | 97.8 Ų | 97.8 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | trans | -68 | 115.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | A8 P436 V439 | A6-A8 PolarHBondContact O-N 3.46Å; A6-P436 HydrophobicContact CB-CG 4.11Å; A6-V439 HydrophobicContact CB-CG2 3.96Å | ||
| 7 | A | 61.3 | Low | 69.7 | Low | 80 Ų | 80 | 100.9 Ų | 100.9 | 66% | 0.661 | 52% | 0.521 | S | S | * | . | trans | -52.7 | 139.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | M5 N9 | M5-A7 PolarHBondContact O-N 3.12Å; A7-N9 PolarHBondContact O-N 3.02Å | ||
| 8 | A | 71.4 | Confident | 71.1 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | trans | -52.3 | 120.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A6 V439 N441 | A6-A8 PolarHBondContact O-N 3.46Å; A8-V439 WeakPolarHBondContact CA-O 3.49Å; A8-N441 HydrophobicContact CB-CB 3.88Å | ||
| 9 | N | 76.1 | Confident | 72.3 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | trans | -123.3 | 5.2 | -172.5 | 69.7 | -3 | 0 | 0 | 0 | 111.9 | A7 T437 Q438 V439 | A7-N9 PolarHBondContact O-N 3.02Å; N9-T437 PolarHBondContact ND2-O 3.08Å; N9-Q438 WeakPolarHBondContact OD1-CA 3.47Å; N9-V439 PolarHBondContact N-O 2.98Å; N9-V439 PolarHBondContact OD1-N 3.29Å; N9-V439 PolarHBondContact OD1-O 3.38Å | ||
| 10 | Y | 83.4 | Confident | 73.3 | Confident | 36 Ų | 36 | 94.4 Ų | 94.4 | 14% | 0.141 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -142.5 | 146.9 | -177.8 | -162.1 | -81.8 | 0 | 0 | 0 | 111.3 | Q438 V439 V440 G480 D481 L482 W483 | Y10-Q438 HydrophobicContact CD2-CB 4.38Å; Y10-Q438 HydrophobicContact CD2-CG 3.95Å; Y10-Q438 HydrophobicContact CG-CB 4.47Å; Y10-V439 PolarHBondContact N-O 2.89Å; Y10-V440 HydrophobicContact CD1-CG2 3.79Å; Y10-V440 HydrophobicContact CG-CG2 4.33Å; Y10-G480 PolarHBondContact OH-O 3.49Å; Y10-D481 VanDerWaalsContact OH-CA 3.3Å; Y10-D481 WeakPolarHBondContact OH-CA 3.47Å; Y10-L482 PolarHBondContact OH-N 2.94Å; Y10-W483 AromaticContact CD1-CE3 3.62Å; Y10-W483 HydrophobicContact CD1-CE3 3.62Å; Y10-W483 AromaticContact CD1-CZ3 3.44Å; Y10-W483 HydrophobicContact CD1-CZ3 3.44Å; Y10-W483 VanDerWaalsContact CD1-CZ3 3.44Å; Y10-W483 HydrophobicContact CD2-CZ3 4.44Å; Y10-W483 AromaticContact CE1-CE3 3.5Å; Y10-W483 HydrophobicContact CE1-CE3 3.5Å; Y10-W483 AromaticContact CE1-CZ3 3.77Å; Y10-W483 HydrophobicContact CE1-CZ3 3.77Å; Y10-W483 HydrophobicContact CG-CE3 4.41Å; Y10-W483 AromaticContact CG-CZ3 3.82Å; Y10-W483 HydrophobicContact CG-CZ3 3.82Å |
| 11 | S | 87.1 | Confident | 74 | Confident | 96 Ų | 96 | 95.5 Ų | 95.5 | 67% | 0.671 | 50% | 0.501 | S | S | * | . | trans | -126.7 | 136.7 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 12 | L | 91.2 | Very high | 76.6 | Confident | 32 Ų | 32 | 90.6 Ų | 90.6 | 17% | 0.168 | 49% | 0.492 | C | S | . | . | trans | -66.7 | 132.4 | 176.9 | -64.6 | 178.6 | 0 | 0 | 0 | 110.6 | V440 L442 L463 W472 W483 | L12-V440 HydrophobicContact CD1-CG1 4.29Å; L12-V440 HydrophobicContact CD2-CG1 4.3Å; L12-V440 HydrophobicContact CD2-CG2 4.28Å; L12-V440 HydrophobicContact CG-CG1 3.78Å; L12-L442 HydrophobicContact CD1-CD2 3.95Å; L12-L463 HydrophobicContact CD1-CD1 3.76Å; L12-W472 HydrophobicContact CB-CE3 4.44Å; L12-W472 HydrophobicContact CB-CH2 3.53Å; L12-W472 HydrophobicContact CB-CZ2 3.92Å; L12-W472 HydrophobicContact CB-CZ3 3.81Å; L12-W472 HydrophobicContact CD1-CD2 4.29Å; L12-W472 HydrophobicContact CD1-CH2 4.45Å; L12-W472 HydrophobicContact CD1-CZ2 4.07Å; L12-W472 HydrophobicContact CD2-CD2 4.47Å; L12-W472 HydrophobicContact CD2-CE3 4.14Å; L12-W472 HydrophobicContact CD2-CZ3 4.26Å; L12-W472 HydrophobicContact CG-CH2 4.42Å; L12-W472 HydrophobicContact CG-CZ3 4.46Å; L12-W483 HydrophobicContact CD2-CB 3.58Å; L12-W483 HydrophobicContact CD2-CD2 4.03Å; L12-W483 HydrophobicContact CD2-CE3 3.97Å; L12-W483 HydrophobicContact CD2-CG 3.9Å | ||
| 13 | K | 92.4 | Very high | 79.6 | Confident | 122 Ų | 122 | 84.2 Ų | 84.2 | 53% | 0.53 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -98.7 | 103 | -179.1 | -65.4 | 175.4 | -167.1 | 152.4 | 0 | 109.7 | N15 W472 G480 D481 | K13-N15 PolarHBondContact O-N 3.12Å; K13-W472 WeakPolarHBondContact O-CH2 3.38Å; K13-W472 WeakPolarHBondContact O-CZ3 3.28Å; K13-G480 PolarHBondContact NZ-O 3.06Å; K13-D481 IonicContact NZ-OD1 3.44Å; K13-D481 PolarHBondContact NZ-OD1 2.88Å |
| 14 | V | 95.1 | Very high | 81.9 | Confident | 42 Ų | 42 | 82.4 Ų | 82.4 | 26% | 0.255 | 45% | 0.452 | S | S | . | . | trans | -72.1 | 119.7 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | R16 L19 L470 W472 | V14-R16 PolarHBondContact O-N 3.29Å; V14-L19 HydrophobicContact CG1-CD1 3.82Å; V14-L19 HydrophobicContact CG1-CD2 4.36Å; V14-L19 HydrophobicContact CG1-CG 4.23Å; V14-L470 HydrophobicContact CG1-CD2 4.04Å; V14-L470 HydrophobicContact CG2-CD2 4.11Å; V14-W472 HydrophobicContact CG2-CH2 3.9Å; V14-W472 HydrophobicContact CG2-CZ2 4.05Å | ||
| 15 | N | 96 | Very high | 84.2 | Confident | 64 Ų | 64 | 82.5 Ų | 82.5 | 34% | 0.342 | 45% | 0.454 | S | S | . | . | trans | -70.9 | 111.3 | 167.9 | -174.6 | -6.8 | 0 | 0 | 0 | 109.9 | K13 D17 L18 H485 | K13-N15 PolarHBondContact O-N 3.12Å; N15-D17 VanDerWaalsContact C-N 3.28Å; N15-D17 PolarHBondContact O-N 3.42Å; N15-D17 WeakPolarHBondContact OD1-CB 3.08Å; N15-D17 PolarHBondContact OD1-N 3.04Å; N15-L18 HydrophobicContact CB-CD1 4.08Å; N15-L18 HydrophobicContact CB-CG 4.25Å; N15-L18 PolarHBondContact O-N 3.34Å; N15-H485 HydrophobicContact CB-CB 4.05Å; N15-H485 PolarHBondContact N-ND1 3.14Å; N15-H485 PolarHBondContact O-ND1 2.67Å | ||
| 16 | R | 94.7 | Very high | 86.3 | Confident | 209 Ų | 209 | 79.1 Ų | 79.1 | 79% | 0.789 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -71.5 | -22.3 | -177 | -60.9 | -177.7 | 75.4 | 148.5 | 4.9 | 113.1 | V14 L18 L19 | V14-R16 PolarHBondContact O-N 3.29Å; R16-L18 PolarHBondContact O-N 3.17Å; R16-L19 PolarHBondContact O-N 2.78Å |
| 17 | D | 96.4 | Very high | 88.1 | Confident | 151 Ų | 151 | 83.2 Ų | 83.2 | 81% | 0.807 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -71.2 | -16 | 179.2 | -61.6 | -29.1 | 0 | 0 | 0 | 112.3 | N15 | N15-D17 VanDerWaalsContact C-N 3.28Å; N15-D17 PolarHBondContact O-N 3.42Å; N15-D17 WeakPolarHBondContact OD1-CB 3.08Å; N15-D17 PolarHBondContact OD1-N 3.04Å |
| 18 | L | 95.7 | Very high | 89.6 | Confident | 61 Ų | 61 | 84.9 Ų | 84.9 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -93.6 | -7 | 177.1 | -61.4 | -179.9 | 0 | 0 | 0 | 113.4 | N15 R16 H485 T488 | N15-L18 HydrophobicContact CB-CD1 4.08Å; N15-L18 HydrophobicContact CB-CG 4.25Å; N15-L18 PolarHBondContact O-N 3.34Å; R16-L18 PolarHBondContact O-N 3.17Å; L18-H485 WeakPolarHBondContact CD1-O 3.11Å; L18-T488 VanDerWaalsContact O-CB 3.27Å; L18-T488 WeakPolarHBondContact O-CB 3.37Å; L18-T488 PolarHBondContact O-OG1 3.48Å |
| 19 | L | 94.6 | Very high | 90.5 | Very high | 49 Ų | 49 | 82.7 Ų | 82.7 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | trans | -92.4 | 139 | 178.9 | -60.4 | 179.6 | 0 | 0 | 0 | 110.7 | V14 R16 P21 L470 T488 | V14-L19 HydrophobicContact CG1-CD1 3.82Å; V14-L19 HydrophobicContact CG1-CD2 4.36Å; V14-L19 HydrophobicContact CG1-CG 4.23Å; R16-L19 PolarHBondContact O-N 2.78Å; L19-P21 WeakPolarHBondContact O-CD 3.21Å; L19-L470 HydrophobicContact CD2-CD1 4.37Å; L19-T488 HydrophobicContact CD2-CG2 4.08Å | ||
| 20 | D | 91.9 | Very high | 91.2 | Very high | 61 Ų | 61 | 85.5 Ų | 85.5 | 33% | 0.326 | 44% | 0.435 | S | S | . | . | trans | -111.3 | 93.7 | 171.1 | -176.2 | 5.5 | 0 | 0 | 0 | 111.3 | N22 F23 | D20-N22 PolarHBondContact O-N 3.42Å; D20-N22 VanDerWaalsContact O-N 3.13Å; D20-N22 WeakPolarHBondContact OD1-CA 3.37Å; D20-N22 WeakPolarHBondContact OD1-CB 3.25Å; D20-N22 PolarHBondContact OD1-N 2.7Å; D20-F23 HydrophobicContact CB-CB 4.2Å; D20-F23 WeakPolarHBondContact O-CB 3.31Å; D20-F23 PolarHBondContact O-N 3.17Å; D20-F23 VanDerWaalsContact O-N 3.16Å; D20-F23 PolarHBondContact OD1-N 3.49Å | ||
| 21 | P | 87.9 | Confident | 91.4 | Very high | 119 Ų | 119 | 88.2 Ų | 88.2 | 77% | 0.773 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -10.3 | 178.3 | 29.8 | -36 | 0 | 0 | 0 | 113.3 | L19 | L19-P21 WeakPolarHBondContact O-CD 3.21Š|
| 22 | N | 87.8 | Confident | 91.5 | Very high | 131 Ų | 131 | 89.1 Ų | 89.1 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 6.1 | 178.5 | -57.5 | -68.2 | 0 | 0 | 0 | 112.3 | D20 E24 | D20-N22 PolarHBondContact O-N 3.42Å; D20-N22 VanDerWaalsContact O-N 3.13Å; D20-N22 WeakPolarHBondContact OD1-CA 3.37Å; D20-N22 WeakPolarHBondContact OD1-CB 3.25Å; D20-N22 PolarHBondContact OD1-N 2.7Å; N22-E24 PolarHBondContact O-N 3.29Å |
| 23 | F | 89.3 | Confident | 91.6 | Very high | 38 Ų | 38 | 88.5 Ų | 88.5 | 17% | 0.167 | 45% | 0.453 | C | S | . | . | trans | -62.8 | 118.6 | 178.1 | -174.9 | -96 | 0 | 0 | 0 | 110.8 | D20 Y26 N490 A491 A549 | D20-F23 HydrophobicContact CB-CB 4.2Å; D20-F23 WeakPolarHBondContact O-CB 3.31Å; D20-F23 PolarHBondContact O-N 3.17Å; D20-F23 VanDerWaalsContact O-N 3.16Å; D20-F23 PolarHBondContact OD1-N 3.49Å; F23-Y26 HydrophobicContact CE1-CD2 4.09Å; F23-Y26 AromaticContact CE1-CE2 3.88Å; F23-Y26 HydrophobicContact CE1-CE2 3.88Å; F23-Y26 HydrophobicContact CZ-CD1 4.25Å; F23-Y26 AromaticContact CZ-CD2 3.82Å; F23-Y26 HydrophobicContact CZ-CD2 3.82Å; F23-Y26 HydrophobicContact CZ-CE1 4.11Å; F23-Y26 AromaticContact CZ-CE2 3.66Å; F23-Y26 HydrophobicContact CZ-CE2 3.66Å; F23-Y26 HydrophobicContact CZ-CG 4.1Å; F23-Y26 AromaticContact CZ-CZ 3.8Å; F23-N490 HydrophobicContact CB-CB 3.81Å; F23-N490 HydrophobicContact CD1-CB 3.53Å; F23-N490 HydrophobicContact CD2-CB 3.5Å; F23-N490 VanDerWaalsContact CD2-CB 3.5Å; F23-N490 HydrophobicContact CE1-CB 3.9Å; F23-N490 HydrophobicContact CE2-CB 3.87Å; F23-N490 HydrophobicContact CG-CB 3.3Å; F23-N490 HydrophobicContact CZ-CB 4.06Å; F23-A491 HydrophobicContact CD1-CB 3.91Å; F23-A491 HydrophobicContact CE1-CB 3.69Å; F23-A549 HydrophobicContact CE2-CB 3.58Å; F23-A549 HydrophobicContact CZ-CB 3.97Å | ||
| 24 | E | 85.6 | Confident | 91.6 | Very high | 101 Ų | 101 | 85.6 Ų | 85.6 | 47% | 0.472 | 45% | 0.446 | S | S | . | . | trans | -90 | -54.7 | -177.6 | -65.9 | -169 | 154.7 | 0 | 0 | 113 | N22 R27 N538 | N22-E24 PolarHBondContact O-N 3.29Å; E24-R27 IonicContact OE2-NH2 2.92Å; E24-R27 PolarHBondContact OE2-NH2 3.38Å; E24-N538 PolarHBondContact OE1-ND2 2.72Å | ||
| 25 | S | 89.4 | Confident | 91.6 | Very high | 47 Ų | 47 | 86 Ų | 86 | 33% | 0.329 | 45% | 0.449 | S | S | . | . | trans | -174.1 | 157.3 | -172.4 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 26 | Y | 91.9 | Very high | 91.5 | Very high | 23 Ų | 23 | 85.9 Ų | 85.9 | 9% | 0.09 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 130.7 | 161.9 | -63.4 | -88.5 | 0 | 0 | 0 | 110.4 | F23 N490 A491 Y526 A549 | F23-Y26 HydrophobicContact CE1-CD2 4.09Å; F23-Y26 AromaticContact CE1-CE2 3.88Å; F23-Y26 HydrophobicContact CE1-CE2 3.88Å; F23-Y26 HydrophobicContact CZ-CD1 4.25Å; F23-Y26 AromaticContact CZ-CD2 3.82Å; F23-Y26 HydrophobicContact CZ-CD2 3.82Å; F23-Y26 HydrophobicContact CZ-CE1 4.11Å; F23-Y26 AromaticContact CZ-CE2 3.66Å; F23-Y26 HydrophobicContact CZ-CE2 3.66Å; F23-Y26 HydrophobicContact CZ-CG 4.1Å; F23-Y26 AromaticContact CZ-CZ 3.8Å; Y26-N490 WeakPolarHBondContact CE2-O 3.43Å; Y26-N490 PolarHBondContact OH-O 3.3Å; Y26-A491 HydrophobicContact CE2-CB 4.42Å; Y26-Y526 HydrophobicContact CD1-CD1 4.02Å; Y26-Y526 AromaticContact CD2-CD1 3.9Å; Y26-Y526 HydrophobicContact CD2-CD1 3.9Å; Y26-Y526 HydrophobicContact CD2-CE1 4.49Å; Y26-Y526 HydrophobicContact CE1-CD1 4.21Å; Y26-Y526 HydrophobicContact CE1-CG 4.47Å; Y26-Y526 HydrophobicContact CE2-CD1 4.09Å; Y26-Y526 AromaticContact CG-CD1 3.87Å; Y26-Y526 HydrophobicContact CG-CD1 3.87Å; Y26-A549 HydrophobicContact CD1-CB 3.71Å; Y26-A549 HydrophobicContact CE1-CB 3.93Å |
| 27 | R | 91.9 | Very high | 91.6 | Very high | 127 Ų | 127 | 79.3 Ų | 79.3 | 48% | 0.479 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 129.1 | 173.7 | -59.9 | -60.8 | -178.5 | -171.9 | -7.2 | 109.8 | E24 S29 V548 A549 K550 Q551 | E24-R27 IonicContact OE2-NH2 2.92Å; E24-R27 PolarHBondContact OE2-NH2 3.38Å; R27-S29 PolarHBondContact O-N 3.06Å; R27-V548 HydrophobicContact CB-CG1 3.62Å; R27-V548 HydrophobicContact CG-CG1 3.32Å; R27-A549 PolarHBondContact N-O 2.87Å; R27-K550 CarbonylContact O-C 3.57Å; R27-K550 VanDerWaalsContact O-CA 3.32Å; R27-K550 WeakPolarHBondContact O-CA 3.35Å; R27-Q551 PolarHBondContact O-N 2.81Å |
| 28 | L | 91.9 | Very high | 91.5 | Very high | 115 Ų | 115 | 72.6 Ų | 72.6 | 60% | 0.602 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 121.6 | 175.1 | -176.5 | 66.7 | 0 | 0 | 0 | 109.9 | L30 Q551 V553 | L28-L30 HydrophobicContact CD2-CD2 4.19Å; L28-L30 HydrophobicContact CG-CD2 4.31Å; L28-Q551 CarbonylContact C-O 3.58Å; L28-Q551 WeakPolarHBondContact CA-O 3.25Å; L28-V553 HydrophobicContact CD1-CG2 4.43Å |
| 29 | S | 90.8 | Very high | 91.5 | Very high | 15 Ų | 15 | 76.6 Ų | 76.6 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 135.9 | 167.7 | 160.9 | 0 | 0 | 0 | 0 | 108.9 | R27 D31 Q551 | R27-S29 PolarHBondContact O-N 3.06Å; S29-D31 VanDerWaalsContact C-N 3.34Å; S29-D31 VanDerWaalsContact OG-CB 3.29Å; S29-D31 WeakPolarHBondContact OG-CB 2.8Å; S29-D31 PolarHBondContact OG-N 2.96Å; S29-D31 PolarHBondContact OG-OD2 2.7Å; S29-Q551 PolarHBondContact N-O 2.9Å |
| 30 | L | 90 | Very high | 91.6 | Very high | 156 Ų | 156 | 75 Ų | 75 | 82% | 0.817 | 40% | 0.4 | S | S | * | . | trans | -97.4 | 9.2 | 173.8 | -57.7 | 179 | 0 | 0 | 0 | 111.6 | L28 | L28-L30 HydrophobicContact CD2-CD2 4.19Å; L28-L30 HydrophobicContact CG-CD2 4.31Å | ||
| 31 | D | 88.6 | Confident | 91.7 | Very high | 93 Ų | 93 | 75.9 Ų | 75.9 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | trans | -62.2 | 128 | 179 | -58.1 | -37.6 | 0 | 0 | 0 | 108.5 | S29 I33 Q552 | S29-D31 VanDerWaalsContact C-N 3.34Å; S29-D31 VanDerWaalsContact OG-CB 3.29Å; S29-D31 WeakPolarHBondContact OG-CB 2.8Å; S29-D31 PolarHBondContact OG-N 2.96Å; S29-D31 PolarHBondContact OG-OD2 2.7Å; D31-I33 PolarHBondContact O-N 2.94Å; D31-Q552 PolarHBondContact O-NE2 2.84Å; D31-Q552 VanDerWaalsContact O-NE2 3.12Å | ||
| 32 | P | 87.8 | Confident | 92.1 | Very high | 116 Ų | 116 | 70.8 Ų | 70.8 | 75% | 0.753 | 37% | 0.373 | S | S | * | . | trans | -65.1 | 138.3 | -176.4 | 27 | -34 | 0 | 0 | 0 | 110.1 | P34 | P32-P34 WeakPolarHBondContact O-CD 3.36Š| ||
| 33 | I | 93.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | trans | -95.1 | 110.1 | 169.9 | -60.8 | 158.4 | 0 | 0 | 0 | 106.7 | D31 T35 L525 Q552 L583 K584 V585 | D31-I33 PolarHBondContact O-N 2.94Å; I33-T35 PolarHBondContact O-N 2.77Å; I33-T35 PolarHBondContact O-OG1 3.1Å; I33-L525 HydrophobicContact CD1-CD1 3.54Å; I33-L525 HydrophobicContact CD1-CG 4.44Å; I33-L525 HydrophobicContact CG1-CD1 4.22Å; I33-Q552 HydrophobicContact CD1-CB 3.78Å; I33-Q552 HydrophobicContact CG1-CB 4.43Å; I33-L583 HydrophobicContact CG2-CB 3.85Å; I33-L583 HydrophobicContact CG2-CD2 4.12Å; I33-L583 HydrophobicContact CG2-CG 4.19Å; I33-K584 WeakPolarHBondContact CG2-O 3.27Å; I33-V585 HydrophobicContact CG2-CG1 4.22Å | ||
| 34 | P | 93.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | trans | -55.1 | 120.6 | 176.7 | -22.2 | 32.7 | 0 | 0 | 0 | 109.4 | P32 Y36 L583 K584 | P32-P34 WeakPolarHBondContact O-CD 3.36Å; P34-Y36 HydrophobicContact CB-CE2 3.99Å; P34-L583 WeakPolarHBondContact O-CA 3.27Å; P34-K584 HydrophobicContact CB-CB 4.13Å; P34-K584 HydrophobicContact CG-CB 4.37Å; P34-K584 PolarHBondContact O-N 2.82Å | ||
| 35 | T | 94.3 | Very high | 93 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 32% | 0.319 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123 | -175 | -57.2 | 0 | 0 | 0 | 0 | 107.9 | I33 L556 F581 L583 | I33-T35 PolarHBondContact O-N 2.77Å; I33-T35 PolarHBondContact O-OG1 3.1Å; T35-L556 HydrophobicContact CG2-CD2 4.49Å; T35-F581 HydrophobicContact CG2-CD1 4.25Å; T35-L583 HydrophobicContact CG2-CD1 3.91Å; T35-L583 HydrophobicContact CG2-CG 4.05Å |
| 36 | Y | 94.8 | Very high | 93 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.5 | 178.8 | -52.8 | -84.9 | 0 | 0 | 0 | 109.1 | P34 D95 T96 L98 F581 V582 K584 | P34-Y36 HydrophobicContact CB-CE2 3.99Å; Y36-D95 WeakPolarHBondContact CD1-O 3.48Å; Y36-D95 HydrophobicContact CD2-CB 4.49Å; Y36-D95 HydrophobicContact CE1-CB 4.47Å; Y36-D95 VanDerWaalsContact CE1-O 3.31Å; Y36-D95 WeakPolarHBondContact CE1-O 3.44Å; Y36-D95 HydrophobicContact CE2-CB 3.79Å; Y36-T96 HydrophobicContact CE1-CG2 4.47Å; Y36-L98 HydrophobicContact CG-CD1 4.39Å; Y36-F581 CarbonylContact O-C 3.58Å; Y36-F581 WeakPolarHBondContact O-CA 3.48Å; Y36-V582 WeakPolarHBondContact CD2-O 3.49Å; Y36-V582 PolarHBondContact N-O 3.11Å; Y36-V582 PolarHBondContact O-N 2.99Å; Y36-K584 HydrophobicContact CE2-CB 4.37Å |
| 37 | T | 95 | Very high | 92.8 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.7 | -174.3 | -54.9 | 0 | 0 | 0 | 0 | 109.9 | H579 F581 | T37-H579 HydrophobicContact CG2-CB 4.23Å; T37-F581 HydrophobicContact CG2-CD1 4.04Å; T37-F581 HydrophobicContact CG2-CE1 3.7Å; T37-F581 HydrophobicContact CG2-CZ 4.2Å; T37-F581 WeakPolarHBondContact OG1-CD1 3.47Å; T37-F581 WeakPolarHBondContact OG1-CE1 3.39Å |
| 38 | V | 95.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 64 Ų | 64 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.4 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | L90 L98 P101 H579 L580 | V38-L90 HydrophobicContact CG2-CD2 4.17Å; V38-L98 HydrophobicContact CG2-CB 3.79Å; V38-L98 HydrophobicContact CG2-CD1 3.56Å; V38-L98 HydrophobicContact CG2-CG 4.33Å; V38-P101 HydrophobicContact CG1-CG 4.38Å; V38-H579 CarbonylContact O-C 3.56Å; V38-H579 WeakPolarHBondContact O-CA 3.05Å; V38-L580 HydrophobicContact CB-CB 4.41Å; V38-L580 PolarHBondContact N-O 3.07Å; V38-L580 PolarHBondContact O-N 2.85Å |
| 39 | E | 95.8 | Very high | 91.6 | Very high | 145 Ų | 145 | 60.4 Ų | 60.4 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 133.8 | 173.2 | -171.1 | 179.4 | -174.9 | 0 | 0 | 110.3 | ||
| 40 | L | 96 | Very high | 91 | Very high | 14 Ų | 14 | 63.5 Ų | 63.5 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | trans | -89.3 | 140.6 | -178.2 | -54.1 | -179.2 | 0 | 0 | 0 | 110.9 | A42 V44 F80 P101 L575 S578 L580 | L40-A42 VanDerWaalsContact C-N 3.27Å; L40-A42 VanDerWaalsContact CB-O 3.31Å; L40-A42 WeakPolarHBondContact CB-O 3.2Å; L40-A42 PolarHBondContact O-N 3.16Å; L40-V44 HydrophobicContact CD1-CG2 3.65Å; L40-F80 HydrophobicContact CD1-CE2 4.08Å; L40-F80 HydrophobicContact CD1-CZ 4.31Å; L40-F80 HydrophobicContact CD2-CE2 4.25Å; L40-F80 HydrophobicContact CD2-CZ 3.7Å; L40-P101 HydrophobicContact CD2-CG 3.94Å; L40-L575 HydrophobicContact CD1-CD1 4.04Å; L40-S578 WeakPolarHBondContact CB-O 3.42Å; L40-S578 WeakPolarHBondContact CG-O 3.42Å; L40-S578 PolarHBondContact N-O 3.18Å; L40-L580 HydrophobicContact CD2-CB 4.38Å | ||
| 41 | D | 95.1 | Very high | 90.2 | Very high | 81 Ų | 81 | 63.6 Ų | 63.6 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -79 | -12.3 | 179.4 | 74.4 | -40.4 | 0 | 0 | 0 | 113.6 | R84 R86 | D41-R84 PolarHBondContact O-NH2 3.48Å; D41-R84 IonicContact OD2-NH1 3.9Å; D41-R84 PolarHBondContact OD2-NH1 3.12Å; D41-R86 IonicContact OD1-CZ 3.48Å; D41-R86 IonicContact OD1-NH2 3.14Å; D41-R86 PolarHBondContact OD1-NH2 3.22Å; D41-R86 IonicContact OD2-CZ 3.99Å; D41-R86 IonicContact OD2-NH1 2.73Å; D41-R86 PolarHBondContact OD2-NH1 2.85Å; D41-R86 IonicContact OD2-NH2 3.98Å; D41-R86 PolarHBondContact OD2-NH2 2.93Å |
| 42 | A | 95.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -144.7 | 152.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L40 D82 R84 | L40-A42 VanDerWaalsContact C-N 3.27Å; L40-A42 VanDerWaalsContact CB-O 3.31Å; L40-A42 WeakPolarHBondContact CB-O 3.2Å; L40-A42 PolarHBondContact O-N 3.16Å; A42-D82 HydrophobicContact CB-CB 4.23Å; A42-R84 HydrophobicContact CB-CG 4.17Å |
| 43 | A | 95.3 | Very high | 88.6 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | trans | -64.9 | 146.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D82 S83 L577 | A43-D82 WeakPolarHBondContact O-CA 3.32Å; A43-D82 WeakPolarHBondContact O-CB 3.43Å; A43-S83 WeakPolarHBondContact O-CB 3.09Å; A43-S83 PolarHBondContact O-N 3.16Å; A43-S83 PolarHBondContact O-OG 3.31Å; A43-L577 CarbonylContact C-O 3.55Å; A43-L577 WeakPolarHBondContact CA-O 3.26Å; A43-L577 HydrophobicContact CB-CD1 4.02Å; A43-L577 HydrophobicContact CB-CG 4.03Å | ||
| 44 | V | 95.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -57.2 | 144.8 | 168.5 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | L40 E46 H67 F80 L563 L575 T576 L577 | L40-V44 HydrophobicContact CD1-CG2 3.65Å; V44-E46 PolarHBondContact O-N 3.44Å; V44-H67 HydrophobicContact CG1-CB 4.06Å; V44-F80 HydrophobicContact CG2-CD2 4.16Å; V44-F80 HydrophobicContact CG2-CE2 4.39Å; V44-L563 HydrophobicContact CB-CD1 3.85Å; V44-L563 HydrophobicContact CG1-CD1 3.9Å; V44-L575 HydrophobicContact CG1-CD2 3.99Å; V44-L575 HydrophobicContact CG2-CD1 3.79Å; V44-L575 HydrophobicContact CG2-CD2 3.86Å; V44-L575 HydrophobicContact CG2-CG 3.85Å; V44-T576 VanDerWaalsContact CG2-O 3.28Å; V44-T576 WeakPolarHBondContact CG2-O 3.32Å; V44-L577 PolarHBondContact N-O 2.59Å |
| 45 | E | 91.3 | Very high | 87.2 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | trans | -65.7 | 115.5 | 173 | -170.1 | -172.9 | 158.2 | 0 | 0 | 109.5 | H67 V81 R117 A120 | E45-H67 PolarHBondContact O-CD2 2.8Å; E45-H67 PolarHBondContact O-NE2 2.77Å; E45-V81 HydrophobicContact CB-CG1 4.44Å; E45-V81 PolarHBondContact N-O 2.92Å; E45-V81 VanDerWaalsContact OE2-CG1 3.29Å; E45-V81 WeakPolarHBondContact OE2-CG1 3.3Å; E45-R117 IonicContact OE1-CZ 2.7Å; E45-R117 IonicContact OE1-NE 3.23Å; E45-R117 IonicContact OE1-NH2 3.32Å; E45-R117 PolarHBondContact OE1-NH2 2.93Å; E45-R117 IonicContact OE2-NH2 3.31Å; E45-R117 PolarHBondContact OE2-NH2 3.41Å; E45-A120 PolarHBondContact OE1-N 3.35Å | ||
| 46 | E | 89.4 | Confident | 86.6 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | trans | -132.1 | 116.5 | 173.5 | -175.7 | -177.4 | -163.3 | 0 | 0 | 108.2 | V44 Q48 L563 L577 | V44-E46 PolarHBondContact O-N 3.44Å; E46-Q48 VanDerWaalsContact CD-NE2 3.31Å; E46-Q48 PolarHBondContact OE1-NE2 3.17Å; E46-L563 HydrophobicContact CB-CD1 4.32Å; E46-L563 HydrophobicContact CG-CD2 4.22Å; E46-L563 WeakPolarHBondContact OE1-CD2 3.4Å; E46-L577 HydrophobicContact CB-CD1 4.3Å | ||
| 47 | L | 86.3 | Confident | 86.1 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 36% | 0.356 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 130.4 | 172.8 | -60.2 | -176.7 | 0 | 0 | 0 | 109.6 | R117 L118 C119 | L47-R117 HydrophobicContact CD1-CG 3.95Å; L47-R117 WeakPolarHBondContact CD1-O 3.32Å; L47-L118 WeakPolarHBondContact CD1-O 3.43Å; L47-C119 PolarHBondContact N-SG 2.94Å |
| 48 | Q | 81.3 | Confident | 85.7 | Confident | 142 Ų | 142 | 60.6 Ų | 60.6 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 142 | 175.5 | -61.9 | -61.5 | -37.4 | 0 | 0 | 109.9 | E46 K50 | E46-Q48 VanDerWaalsContact CD-NE2 3.31Å; E46-Q48 PolarHBondContact OE1-NE2 3.17Å; Q48-K50 PolarHBondContact O-N 3.36Å |
| 49 | L | 78.4 | Confident | 85.1 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 133.8 | 170.5 | -75 | 173.4 | 0 | 0 | 0 | 109.5 | H53 H58 L59 F62 | L49-H53 HydrophobicContact CD2-CB 4.22Å; L49-H58 HydrophobicContact CD1-CB 4.13Å; L49-H58 HydrophobicContact CD2-CB 3.98Å; L49-L59 HydrophobicContact CD1-CD2 3.87Å; L49-F62 HydrophobicContact CD1-CB 4.2Å; L49-F62 HydrophobicContact CD2-CB 4.06Å; L49-F62 HydrophobicContact CD2-CD1 3.56Å; L49-F62 HydrophobicContact CD2-CD2 3.8Å; L49-F62 HydrophobicContact CD2-CE1 3.68Å; L49-F62 HydrophobicContact CD2-CE2 3.95Å; L49-F62 HydrophobicContact CD2-CG 3.57Å; L49-F62 HydrophobicContact CD2-CZ 3.84Å; L49-F62 HydrophobicContact CG-CB 4.19Å; L49-F62 HydrophobicContact CG-CD1 4.31Å; L49-F62 HydrophobicContact CG-CG 4.23Å |
| 50 | K | 78.1 | Confident | 84.5 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 156.2 | 171.7 | -60.5 | -180 | -175.8 | 174.1 | 0 | 110.1 | Q48 A52 H53 E115 D116 | Q48-K50 PolarHBondContact O-N 3.36Å; K50-A52 PolarHBondContact O-N 3.08Å; K50-A52 VanDerWaalsContact O-N 3.13Å; K50-H53 CarbonylContact O-C 3.6Å; K50-H53 WeakPolarHBondContact O-CA 3.45Å; K50-H53 PolarHBondContact O-N 3.17Å; K50-E115 VanDerWaalsContact CE-O 3.24Å; K50-E115 WeakPolarHBondContact CE-O 3.16Å; K50-E115 PolarHBondContact NZ-O 3.48Å; K50-D116 IonicContact NZ-OD1 2.88Å; K50-D116 PolarHBondContact NZ-OD1 3.17Å |
| 51 | D | 73 | Confident | 84 | Confident | 158 Ų | 158 | 59.8 Ų | 59.8 | 85% | 0.845 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -54.7 | -34.8 | 177.5 | -64.6 | -16.7 | 0 | 0 | 0 | 113 | H53 | D51-H53 PolarHBondContact O-N 3Š|
| 52 | A | 69.8 | Low | 83.2 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 59% | 0.587 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -69 | -18.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | K50 Y202 | K50-A52 PolarHBondContact O-N 3.08Å; K50-A52 VanDerWaalsContact O-N 3.13Å; A52-Y202 PolarHBondContact O-OH 2.83Å |
| 53 | H | 73.8 | Confident | 82.2 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -108.5 | 19.6 | -175 | -59.9 | 165.6 | 0 | 0 | 0 | 112 | L49 K50 D51 T55 H58 D116 | L49-H53 HydrophobicContact CD2-CB 4.22Å; K50-H53 CarbonylContact O-C 3.6Å; K50-H53 WeakPolarHBondContact O-CA 3.45Å; K50-H53 PolarHBondContact O-N 3.17Å; D51-H53 PolarHBondContact O-N 3Å; H53-T55 VanDerWaalsContact C-N 3.28Å; H53-T55 PolarHBondContact O-N 2.71Å; H53-T55 VanDerWaalsContact O-N 3.08Å; H53-H58 WeakPolarHBondContact O-CB 3.37Å; H53-H58 PolarHBondContact O-ND1 2.81Å; H53-D116 IonicContact CE1-OD1 2.92Å; H53-D116 PolarHBondContact CE1-OD1 2.84Å; H53-D116 IonicContact NE2-OD1 2.72Å |
| 54 | Y | 75.6 | Confident | 81.1 | Confident | 161 Ų | 161 | 63.5 Ų | 63.5 | 63% | 0.631 | 33% | 0.327 | S | S | * | . | trans | -87.6 | 61.4 | -179.1 | -150.2 | -89.7 | 0 | 0 | 0 | 111.9 | L59 | Y54-L59 HydrophobicContact CD1-CD1 4.45Å; Y54-L59 HydrophobicContact CE1-CD1 3.98Å; Y54-L59 HydrophobicContact CE1-CD2 4.5Å; Y54-L59 HydrophobicContact CE2-CD2 4Å | ||
| 55 | T | 82.3 | Confident | 80.7 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 13% | 0.129 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -107.7 | 163.9 | 172.4 | 80.5 | 0 | 0 | 0 | 0 | 111.9 | H53 E57 H58 L59 Y202 | H53-T55 VanDerWaalsContact C-N 3.28Å; H53-T55 PolarHBondContact O-N 2.71Å; H53-T55 VanDerWaalsContact O-N 3.08Å; T55-E57 WeakPolarHBondContact CB-OE2 3.33Å; T55-E57 PolarHBondContact O-N 3.07Å; T55-E57 PolarHBondContact OG1-N 3.44Å; T55-E57 PolarHBondContact OG1-OE2 2.83Å; T55-H58 PolarHBondContact O-N 3.16Å; T55-H58 VanDerWaalsContact O-N 3.16Å; T55-H58 PolarHBondContact OG1-ND1 2.92Å; T55-L59 WeakPolarHBondContact O-CG 3.37Å; T55-L59 PolarHBondContact O-N 2.86Å; T55-Y202 HydrophobicContact CG2-CD2 3.44Å; T55-Y202 VanDerWaalsContact CG2-CD2 3.44Å; T55-Y202 HydrophobicContact CG2-CE2 3.44Å; T55-Y202 VanDerWaalsContact CG2-CE2 3.44Å; T55-Y202 HydrophobicContact CG2-CG 4.48Å |
| 56 | L | 81.8 | Confident | 80.8 | Confident | 96 Ų | 96 | 66 Ų | 66 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.8 | -39.8 | 177.2 | -179 | 63.2 | 0 | 0 | 0 | 111.7 | L59 R60 | L56-L59 PolarHBondContact O-N 3.5Å; L56-R60 WeakPolarHBondContact O-CG 3.33Å; L56-R60 PolarHBondContact O-N 2.9Å |
| 57 | E | 83.7 | Confident | 81.1 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 178.9 | -62.3 | 69.8 | -143.3 | 0 | 0 | 111.5 | T55 R60 A61 V190 S200 V204 V236 | T55-E57 WeakPolarHBondContact CB-OE2 3.33Å; T55-E57 PolarHBondContact O-N 3.07Å; T55-E57 PolarHBondContact OG1-N 3.44Å; T55-E57 PolarHBondContact OG1-OE2 2.83Å; E57-R60 PolarHBondContact O-N 3.15Å; E57-A61 WeakPolarHBondContact O-CB 3.32Å; E57-A61 PolarHBondContact O-N 3.15Å; E57-V190 HydrophobicContact CB-CG1 4.03Å; E57-S200 PolarHBondContact OE2-OG 2.8Å; E57-V204 HydrophobicContact CB-CG2 4.24Å; E57-V204 HydrophobicContact CG-CG2 4.01Å; E57-V236 HydrophobicContact CB-CG2 4.21Å; E57-V236 WeakPolarHBondContact O-CG2 3.41Å |
| 58 | H | 85.4 | Confident | 81.6 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -44.4 | 175.6 | -68 | 89 | 0 | 0 | 0 | 111.5 | L49 H53 T55 R60 A61 F62 V190 Y202 | L49-H58 HydrophobicContact CD1-CB 4.13Å; L49-H58 HydrophobicContact CD2-CB 3.98Å; H53-H58 WeakPolarHBondContact O-CB 3.37Å; H53-H58 PolarHBondContact O-ND1 2.81Å; T55-H58 PolarHBondContact O-N 3.16Å; T55-H58 VanDerWaalsContact O-N 3.16Å; T55-H58 PolarHBondContact OG1-ND1 2.92Å; H58-R60 PolarHBondContact O-N 2.74Å; H58-A61 PolarHBondContact O-N 2.68Å; H58-F62 HydrophobicContact CB-CD2 4.14Å; H58-F62 HydrophobicContact CB-CE2 4.18Å; H58-F62 AromaticContact CD2-CE2 3.52Å; H58-F62 VanDerWaalsContact O-CB 3.27Å; H58-F62 WeakPolarHBondContact O-CB 3.34Å; H58-F62 WeakPolarHBondContact O-CD2 3.35Å; H58-F62 PolarHBondContact O-N 2.82Å; H58-V190 VanDerWaalsContact CE1-CG1 3.48Å; H58-V190 WeakPolarHBondContact CE1-CG1 3.01Å; H58-Y202 AromaticContact CE1-CD1 3.43Å; H58-Y202 VanDerWaalsContact CE1-CD1 3.43Å; H58-Y202 WeakPolarHBondContact CE1-CD1 3.39Å; H58-Y202 AromaticContact CE1-CE1 3.42Å; H58-Y202 VanDerWaalsContact CE1-CE1 3.42Å; H58-Y202 WeakPolarHBondContact CE1-CE1 3.22Å; H58-Y202 AromaticContact CE1-CG 3.76Å; H58-Y202 AromaticContact CE1-CZ 3.71Å; H58-Y202 AromaticContact NE2-CE1 3.96Å |
| 59 | L | 84.3 | Confident | 82.3 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.8 | -35.5 | 176.5 | -70.3 | 174.4 | 0 | 0 | 0 | 111.7 | L49 Y54 T55 L56 G63 | L49-L59 HydrophobicContact CD1-CD2 3.87Å; Y54-L59 HydrophobicContact CD1-CD1 4.45Å; Y54-L59 HydrophobicContact CE1-CD1 3.98Å; Y54-L59 HydrophobicContact CE1-CD2 4.5Å; Y54-L59 HydrophobicContact CE2-CD2 4Å; T55-L59 WeakPolarHBondContact O-CG 3.37Å; T55-L59 PolarHBondContact O-N 2.86Å; L56-L59 PolarHBondContact O-N 3.5Å; L59-G63 WeakPolarHBondContact O-CA 3.49Å; L59-G63 PolarHBondContact O-N 3.4Å |
| 60 | R | 83.6 | Confident | 83.2 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.1 | -44.7 | 175.7 | -73.8 | 179.2 | 175.4 | -173.6 | -1.3 | 113.6 | L56 E57 H58 V236 E254 | L56-R60 WeakPolarHBondContact O-CG 3.33Å; L56-R60 PolarHBondContact O-N 2.9Å; E57-R60 PolarHBondContact O-N 3.15Å; H58-R60 PolarHBondContact O-N 2.74Å; R60-V236 HydrophobicContact CB-CB 4.08Å; R60-V236 HydrophobicContact CB-CG2 4.26Å; R60-E254 IonicContact CZ-OE1 3.03Å; R60-E254 IonicContact CZ-OE2 3.97Å; R60-E254 VanDerWaalsContact CZ-OE2 3.29Å; R60-E254 IonicContact NH1-OE1 2.69Å; R60-E254 PolarHBondContact NH1-OE1 3.19Å; R60-E254 VanDerWaalsContact NH1-OE1 3.09Å; R60-E254 IonicContact NH1-OE2 2.78Å; R60-E254 PolarHBondContact NH1-OE2 3Å; R60-E254 IonicContact NH2-OE1 2.67Å; R60-E254 PolarHBondContact NH2-OE1 2.88Å; R60-E254 IonicContact NH2-OE2 3.35Å; R60-E254 PolarHBondContact NH2-OE2 2.98Å |
| 61 | A | 84.1 | Confident | 83.9 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E57 H58 L188 V190 V236 | E57-A61 WeakPolarHBondContact O-CB 3.32Å; E57-A61 PolarHBondContact O-N 3.15Å; H58-A61 PolarHBondContact O-N 2.68Å; A61-L188 HydrophobicContact CB-CD2 3.94Å; A61-V190 HydrophobicContact CB-CG2 3.93Å; A61-V236 HydrophobicContact CB-CG1 4.26Å; A61-V236 HydrophobicContact CB-CG2 3.97Å |
| 62 | F | 79.1 | Confident | 84.9 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 23% | 0.232 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -103.6 | -39 | -172.8 | -66.1 | -114.3 | 0 | 0 | 0 | 113 | L49 H58 M64 F65 L118 | L49-F62 HydrophobicContact CD1-CB 4.2Å; L49-F62 HydrophobicContact CD2-CB 4.06Å; L49-F62 HydrophobicContact CD2-CD1 3.56Å; L49-F62 HydrophobicContact CD2-CD2 3.8Å; L49-F62 HydrophobicContact CD2-CE1 3.68Å; L49-F62 HydrophobicContact CD2-CE2 3.95Å; L49-F62 HydrophobicContact CD2-CG 3.57Å; L49-F62 HydrophobicContact CD2-CZ 3.84Å; L49-F62 HydrophobicContact CG-CB 4.19Å; L49-F62 HydrophobicContact CG-CD1 4.31Å; L49-F62 HydrophobicContact CG-CG 4.23Å; H58-F62 HydrophobicContact CB-CD2 4.14Å; H58-F62 HydrophobicContact CB-CE2 4.18Å; H58-F62 AromaticContact CD2-CE2 3.52Å; H58-F62 VanDerWaalsContact O-CB 3.27Å; H58-F62 WeakPolarHBondContact O-CB 3.34Å; H58-F62 WeakPolarHBondContact O-CD2 3.35Å; H58-F62 PolarHBondContact O-N 2.82Å; F62-M64 PolarHBondContact O-N 3.06Å; F62-F65 WeakPolarHBondContact O-CB 3.3Å; F62-F65 PolarHBondContact O-N 3.46Å; F62-F65 VanDerWaalsContact O-N 3.15Å; F62-L118 HydrophobicContact CD1-CD2 4.31Å; F62-L118 HydrophobicContact CE1-CD2 3.14Å; F62-L118 HydrophobicContact CE1-CG 4.47Å; F62-L118 HydrophobicContact CE2-CD2 4.11Å; F62-L118 HydrophobicContact CZ-CD2 3.04Å; F62-L118 HydrophobicContact CZ-CG 4.47Å |
| 63 | G | 73.7 | Confident | 85.9 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -26.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L59 | L59-G63 WeakPolarHBondContact O-CA 3.49Å; L59-G63 PolarHBondContact O-N 3.4Å |
| 64 | M | 72.3 | Confident | 86.7 | Confident | 116 Ų | 116 | 46.6 Ų | 46.6 | 57% | 0.571 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 11.8 | 178.9 | -60 | -61.1 | -74.8 | 0 | 0 | 113.1 | F62 N66 K503 | F62-M64 PolarHBondContact O-N 3.06Å; M64-N66 PolarHBondContact O-N 2.94Å; M64-K503 VanDerWaalsContact CE-O 3.26Å; M64-K503 WeakPolarHBondContact CE-O 3.47Å |
| 65 | F | 88 | Confident | 87.3 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 18% | 0.18 | 21% | 0.209 | C | C | . | . | trans | -66 | 118.4 | 178.1 | -172.6 | -105.4 | 0 | 0 | 0 | 110.4 | F62 H67 C119 A120 T168 | F62-F65 WeakPolarHBondContact O-CB 3.3Å; F62-F65 PolarHBondContact O-N 3.46Å; F62-F65 VanDerWaalsContact O-N 3.15Å; F65-H67 AromaticContact CD1-CD2 3.75Å; F65-H67 AromaticContact CD1-CE1 3.59Å; F65-H67 AromaticContact CD1-CG 3.88Å; F65-H67 AromaticContact CD1-ND1 3.78Å; F65-H67 AromaticContact CD1-NE2 3.55Å; F65-H67 AromaticContact CE1-CD2 3.79Å; F65-H67 PolarHBondContact O-ND1 3.39Å; F65-C119 HydrophobicContact CD1-CB 4.13Å; F65-C119 HydrophobicContact CE1-CB 3.75Å; F65-C119 HydrophobicContact CZ-CB 4.37Å; F65-A120 WeakPolarHBondContact CZ-O 3.31Å; F65-T168 HydrophobicContact CD2-CG2 3.93Å; F65-T168 HydrophobicContact CE2-CG2 3.57Å | ||
| 66 | N | 93.9 | Very high | 87.7 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | trans | -92.2 | 105.2 | 179.8 | -168.2 | -25.6 | 0 | 0 | 0 | 108.9 | M64 L68 F504 G564 F565 R566 | M64-N66 PolarHBondContact O-N 2.94Å; N66-L68 PolarHBondContact O-N 2.86Å; N66-L68 VanDerWaalsContact O-N 3.12Å; N66-L68 PolarHBondContact OD1-N 2.94Å; N66-L68 PolarHBondContact OD1-O 2.75Å; N66-L68 VanDerWaalsContact OD1-O 3.14Å; N66-F504 HydrophobicContact CB-CE1 4.08Å; N66-G564 WeakPolarHBondContact OD1-CA 3.41Å; N66-F565 PolarHBondContact ND2-O 2.93Å; N66-F565 PolarHBondContact OD1-N 2.9Å; N66-R566 VanDerWaalsContact CG-CZ 3.49Å; N66-R566 PolarHBondContact ND2-NE 3.28Å; N66-R566 PolarHBondContact ND2-NH1 3.34Å | ||
| 67 | H | 95.5 | Very high | 88.3 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 13% | 0.125 | 20% | 0.196 | C | C | . | . | trans | -71.5 | -4.7 | -175.9 | -61.8 | 76.1 | 0 | 0 | 0 | 113.2 | V44 E45 F65 F80 L563 L575 | V44-H67 HydrophobicContact CG1-CB 4.06Å; E45-H67 PolarHBondContact O-CD2 2.8Å; E45-H67 PolarHBondContact O-NE2 2.77Å; F65-H67 AromaticContact CD1-CD2 3.75Å; F65-H67 AromaticContact CD1-CE1 3.59Å; F65-H67 AromaticContact CD1-CG 3.88Å; F65-H67 AromaticContact CD1-ND1 3.78Å; F65-H67 AromaticContact CD1-NE2 3.55Å; F65-H67 AromaticContact CE1-CD2 3.79Å; F65-H67 PolarHBondContact O-ND1 3.39Å; H67-F80 WeakPolarHBondContact O-CB 3.46Å; H67-L563 HydrophobicContact CB-CB 4.26Å; H67-L563 PolarHBondContact N-O 2.86Å; H67-L563 PolarHBondContact ND1-O 3.36Å; H67-L575 HydrophobicContact CB-CD2 4.09Å | ||
| 68 | L | 97.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -110.8 | 125.8 | -179.5 | -171.3 | 70.4 | 0 | 0 | 0 | 110.2 | N66 V78 F80 R566 F573 L575 L580 | N66-L68 PolarHBondContact O-N 2.86Å; N66-L68 VanDerWaalsContact O-N 3.12Å; N66-L68 PolarHBondContact OD1-N 2.94Å; N66-L68 PolarHBondContact OD1-O 2.75Å; N66-L68 VanDerWaalsContact OD1-O 3.14Å; L68-V78 HydrophobicContact CD1-CB 3.76Å; L68-V78 HydrophobicContact CD1-CG1 4.39Å; L68-V78 HydrophobicContact CD1-CG2 3.96Å; L68-V78 HydrophobicContact CD2-CG1 4.49Å; L68-V78 HydrophobicContact CG-CB 4.29Å; L68-V78 HydrophobicContact CG-CG1 4.45Å; L68-F80 HydrophobicContact CD1-CB 4.38Å; L68-F80 HydrophobicContact CD1-CD1 4.27Å; L68-R566 HydrophobicContact CB-CG 4.35Å; L68-R566 HydrophobicContact CD2-CB 4.21Å; L68-R566 HydrophobicContact CD2-CG 4.13Å; L68-R566 HydrophobicContact CG-CG 4.15Å; L68-R566 WeakPolarHBondContact O-CG 3.44Å; L68-R566 PolarHBondContact O-NE 3.32Å; L68-R566 PolarHBondContact O-NH2 3.04Å; L68-F573 HydrophobicContact CD2-CB 3.56Å; L68-L575 HydrophobicContact CB-CB 4.14Å; L68-L575 HydrophobicContact CB-CD2 4.12Å; L68-L575 HydrophobicContact CD1-CB 4.24Å; L68-L575 HydrophobicContact CD1-CD2 4.2Å; L68-L575 HydrophobicContact CD2-CB 4.23Å; L68-L575 HydrophobicContact CG-CB 4.45Å; L68-L580 HydrophobicContact CD1-CD1 4.33Å; L68-L580 HydrophobicContact CD2-CD1 4.35Å | ||
| 69 | Q | 96 | Very high | 89.4 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127 | 175.2 | -170.5 | 57.1 | 24.8 | 0 | 0 | 110 | V78 L79 L124 | Q69-V78 CarbonylContact O-C 3.5Å; Q69-V78 WeakPolarHBondContact O-CA 3.42Å; Q69-L79 PolarHBondContact N-O 3.06Å; Q69-L79 PolarHBondContact O-N 2.87Å; Q69-L124 HydrophobicContact CG-CG 4.47Å |
| 70 | L | 95.5 | Very high | 90 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 145.7 | 168.8 | -170 | 70 | 0 | 0 | 0 | 108.8 | P72 Q75 V78 R566 A567 F573 | L70-P72 VanDerWaalsContact O-CD 3.24Å; L70-P72 WeakPolarHBondContact O-CD 3.34Å; L70-Q75 WeakPolarHBondContact CD1-O 3.43Å; L70-V78 HydrophobicContact CD1-CG1 3.75Å; L70-R566 HydrophobicContact CB-CB 4.11Å; L70-R566 HydrophobicContact CB-CG 4.2Å; L70-A567 WeakPolarHBondContact CD2-O 3.23Å; L70-F573 HydrophobicContact CD1-CD2 4.12Å; L70-F573 HydrophobicContact CD1-CE2 3.93Å |
| 71 | D | 94.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | trans | -85.1 | 109 | 167.4 | -165.7 | -26.1 | 0 | 0 | 0 | 110.4 | W73 Y74 Q75 S77 L79 L124 R147 | D71-W73 PolarHBondContact O-N 3.41Å; D71-W73 VanDerWaalsContact O-N 3.16Å; D71-W73 PolarHBondContact OD1-N 2.87Å; D71-W73 VanDerWaalsContact OD1-N 3.15Å; D71-Y74 CarbonylContact O-C 3.58Å; D71-Y74 PolarHBondContact O-N 2.89Å; D71-Y74 VanDerWaalsContact O-N 3.07Å; D71-Y74 VanDerWaalsContact O-O 3.14Å; D71-Q75 PolarHBondContact O-N 3.47Å; D71-S77 PolarHBondContact N-O 2.75Å; D71-L79 HydrophobicContact CB-CD1 4.35Å; D71-L124 HydrophobicContact CB-CD1 3.89Å; D71-R147 IonicContact OD1-CZ 3.17Å; D71-R147 IonicContact OD1-NE 2.59Å; D71-R147 IonicContact OD1-NH2 3.08Å; D71-R147 PolarHBondContact OD1-NH2 2.87Å; D71-R147 VanDerWaalsContact OD1-NH2 3.14Å; D71-R147 IonicContact OD2-CZ 2.94Å; D71-R147 IonicContact OD2-NE 3.49Å; D71-R147 PolarHBondContact OD2-NE 2.89Å; D71-R147 IonicContact OD2-NH2 2.75Å; D71-R147 PolarHBondContact OD2-NH2 3.44Å | ||
| 72 | P | 92.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -23.9 | -176.8 | -25.5 | 37.5 | 0 | 0 | 0 | 114 | L70 P455 | L70-P72 VanDerWaalsContact O-CD 3.24Å; L70-P72 WeakPolarHBondContact O-CD 3.34Å; P72-P455 HydrophobicContact CB-CB 3.81Å; P72-P455 HydrophobicContact CB-CG 4.2Å |
| 73 | W | 92.4 | Very high | 91.8 | Very high | 84 Ų | 84 | 32.5 Ų | 32.5 | 32% | 0.318 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -18.1 | 178.3 | -64.6 | -86.1 | 0 | 0 | 0 | 112.8 | D71 L124 S126 A127 R147 P455 | D71-W73 PolarHBondContact O-N 3.41Å; D71-W73 VanDerWaalsContact O-N 3.16Å; D71-W73 PolarHBondContact OD1-N 2.87Å; D71-W73 VanDerWaalsContact OD1-N 3.15Å; W73-L124 HydrophobicContact CZ3-CB 3.92Å; W73-S126 VanDerWaalsContact CZ2-C 3.47Å; W73-S126 VanDerWaalsContact CZ2-CA 3.43Å; W73-S126 WeakPolarHBondContact CZ3-O 3.44Å; W73-A127 HydrophobicContact CB-CB 4.33Å; W73-A127 HydrophobicContact CD2-CB 3.88Å; W73-A127 VanDerWaalsContact CE2-N 3.29Å; W73-A127 HydrophobicContact CG-CB 3.68Å; W73-R147 VanDerWaalsContact CE3-NH2 3.31Å; W73-P455 HydrophobicContact CD2-CB 4.04Å; W73-P455 HydrophobicContact CD2-CG 4.36Å; W73-P455 VanDerWaalsContact CE2-CB 3.41Å; W73-P455 HydrophobicContact CG-CG 4.39Å; W73-P455 HydrophobicContact CH2-CB 3.98Å; W73-P455 HydrophobicContact CZ2-CB 3.4Å; W73-P455 HydrophobicContact CZ2-CG 4.38Å |
| 74 | Y | 90.6 | Very high | 92.7 | Very high | 66 Ų | 66 | 37.8 Ų | 37.8 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -138.8 | 79 | -178.4 | -57.6 | -77.5 | 0 | 0 | 0 | 108.6 | D71 D76 S77 R147 G148 | D71-Y74 CarbonylContact O-C 3.58Å; D71-Y74 PolarHBondContact O-N 2.89Å; D71-Y74 VanDerWaalsContact O-N 3.07Å; D71-Y74 VanDerWaalsContact O-O 3.14Å; Y74-D76 PolarHBondContact O-N 2.92Å; Y74-S77 WeakPolarHBondContact O-CA 3.38Å; Y74-S77 WeakPolarHBondContact O-CB 3.39Å; Y74-S77 PolarHBondContact O-N 3.2Å; Y74-R147 HydrophobicContact CD2-CB 4.06Å; Y74-R147 HydrophobicContact CE2-CB 3.99Å; Y74-G148 VanDerWaalsContact CZ-N 3.28Å |
| 75 | Q | 88.4 | Confident | 93.7 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 29% | 0.285 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -11.5 | -168.2 | -62.3 | -172.7 | 1.8 | 0 | 0 | 115.1 | L70 D71 S77 | L70-Q75 WeakPolarHBondContact CD1-O 3.43Å; D71-Q75 PolarHBondContact O-N 3.47Å; Q75-S77 VanDerWaalsContact C-N 3.32Å |
| 76 | D | 90.4 | Very high | 94 | Very high | 57 Ų | 57 | 32.5 Ų | 32.5 | 31% | 0.305 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.6 | 172.4 | -65 | -44.3 | 0 | 0 | 0 | 113.9 | Y74 S91 V92 R571 | Y74-D76 PolarHBondContact O-N 2.92Å; D76-S91 WeakPolarHBondContact O-CA 3.43Å; D76-V92 HydrophobicContact CB-CB 4.3Å; D76-V92 PolarHBondContact O-N 2.91Å; D76-R571 IonicContact OD1-CZ 3.11Å; D76-R571 IonicContact OD1-NE 3.53Å; D76-R571 IonicContact OD1-NH1 3.61Å; D76-R571 PolarHBondContact OD1-NH1 2.58Å |
| 77 | S | 93.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.8 | -176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | D71 Y74 Q75 L90 S91 | D71-S77 PolarHBondContact N-O 2.75Å; Y74-S77 WeakPolarHBondContact O-CA 3.38Å; Y74-S77 WeakPolarHBondContact O-CB 3.39Å; Y74-S77 PolarHBondContact O-N 3.2Å; Q75-S77 VanDerWaalsContact C-N 3.32Å; S77-L90 CarbonylContact C-O 3.55Å; S77-L90 VanDerWaalsContact CA-O 3.3Å; S77-L90 WeakPolarHBondContact CA-O 3.16Å; S77-S91 WeakPolarHBondContact OG-CB 3.45Å; S77-S91 PolarHBondContact OG-OG 2.83Å |
| 78 | V | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 154.2 | 175.2 | -66 | 0 | 0 | 0 | 0 | 111.1 | L68 Q69 L70 S89 L90 F573 L580 | L68-V78 HydrophobicContact CD1-CB 3.76Å; L68-V78 HydrophobicContact CD1-CG1 4.39Å; L68-V78 HydrophobicContact CD1-CG2 3.96Å; L68-V78 HydrophobicContact CD2-CG1 4.49Å; L68-V78 HydrophobicContact CG-CB 4.29Å; L68-V78 HydrophobicContact CG-CG1 4.45Å; Q69-V78 CarbonylContact O-C 3.5Å; Q69-V78 WeakPolarHBondContact O-CA 3.42Å; L70-V78 HydrophobicContact CD1-CG1 3.75Å; V78-S89 WeakPolarHBondContact O-CA 3.41Å; V78-L90 HydrophobicContact CG2-CB 4.21Å; V78-L90 PolarHBondContact N-O 3.37Å; V78-L90 PolarHBondContact O-N 3.33Å; V78-F573 HydrophobicContact CG1-CB 4.11Å; V78-F573 HydrophobicContact CG1-CD1 3.84Å; V78-F573 HydrophobicContact CG1-CD2 3.69Å; V78-F573 HydrophobicContact CG1-CE1 4.13Å; V78-F573 HydrophobicContact CG1-CE2 3.99Å; V78-F573 HydrophobicContact CG1-CG 3.61Å; V78-F573 HydrophobicContact CG1-CZ 4.2Å; V78-F573 HydrophobicContact CG2-CD1 4.11Å; V78-F573 HydrophobicContact CG2-CE1 4.4Å; V78-L580 HydrophobicContact CG2-CD2 3.8Å |
| 79 | L | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 148.4 | 179.2 | -57.3 | 94.7 | 0 | 0 | 0 | 111.3 | Q69 D71 V87 L88 V104 I122 L124 W155 | Q69-L79 PolarHBondContact N-O 3.06Å; Q69-L79 PolarHBondContact O-N 2.87Å; D71-L79 HydrophobicContact CB-CD1 4.35Å; L79-V87 HydrophobicContact CD2-CG1 4.36Å; L79-L88 WeakPolarHBondContact CA-O 3.49Å; L79-V104 HydrophobicContact CD2-CG2 4.4Å; L79-I122 HydrophobicContact CB-CD1 4.22Å; L79-L124 HydrophobicContact CD1-CD1 4.07Å; L79-W155 HydrophobicContact CD2-CH2 3.44Å; L79-W155 VanDerWaalsContact CD2-CH2 3.44Å; L79-W155 HydrophobicContact CD2-CZ2 3.56Å |
| 80 | F | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 167.1 | 175.3 | 60.9 | -83.7 | 0 | 0 | 0 | 110.2 | L40 V44 H67 L68 L88 P101 L575 L580 | L40-F80 HydrophobicContact CD1-CE2 4.08Å; L40-F80 HydrophobicContact CD1-CZ 4.31Å; L40-F80 HydrophobicContact CD2-CE2 4.25Å; L40-F80 HydrophobicContact CD2-CZ 3.7Å; V44-F80 HydrophobicContact CG2-CD2 4.16Å; V44-F80 HydrophobicContact CG2-CE2 4.39Å; H67-F80 WeakPolarHBondContact O-CB 3.46Å; L68-F80 HydrophobicContact CD1-CB 4.38Å; L68-F80 HydrophobicContact CD1-CD1 4.27Å; F80-L88 HydrophobicContact CE1-CB 4.08Å; F80-L88 HydrophobicContact CE2-CB 4.08Å; F80-L88 HydrophobicContact CE2-CD1 3.62Å; F80-L88 HydrophobicContact CE2-CG 4.38Å; F80-L88 HydrophobicContact CZ-CB 3.82Å; F80-L88 HydrophobicContact CZ-CD1 3.76Å; F80-L88 HydrophobicContact CZ-CG 4.43Å; F80-L88 PolarHBondContact N-O 3.24Å; F80-L88 VanDerWaalsContact N-O 3.09Å; F80-L88 PolarHBondContact O-N 2.71Å; F80-P101 HydrophobicContact CE1-CB 4.21Å; F80-P101 HydrophobicContact CE1-CG 4.24Å; F80-P101 HydrophobicContact CZ-CB 4.03Å; F80-P101 HydrophobicContact CZ-CG 3.98Å; F80-L575 HydrophobicContact CB-CD2 3.75Å; F80-L575 HydrophobicContact CD1-CD1 4.38Å; F80-L575 HydrophobicContact CD2-CD1 4.4Å; F80-L575 HydrophobicContact CD2-CD2 4.38Å; F80-L575 HydrophobicContact CG-CD1 4.3Å; F80-L575 HydrophobicContact CG-CD2 4.04Å; F80-L580 HydrophobicContact CE1-CD2 4.38Å |
| 81 | V | 96.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 6% | 0.055 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.4 | 176.1 | -169 | 0 | 0 | 0 | 0 | 109.8 | E45 R86 V87 F107 A120 I122 | E45-V81 HydrophobicContact CB-CG1 4.44Å; E45-V81 PolarHBondContact N-O 2.92Å; E45-V81 VanDerWaalsContact OE2-CG1 3.29Å; E45-V81 WeakPolarHBondContact OE2-CG1 3.3Å; V81-R86 WeakPolarHBondContact CA-O 3.13Å; V81-V87 HydrophobicContact CG2-CG2 4.33Å; V81-F107 HydrophobicContact CG1-CE2 4.26Å; V81-A120 HydrophobicContact CB-CB 4.31Å; V81-A120 HydrophobicContact CG1-CB 4.04Å; V81-A120 HydrophobicContact CG2-CB 3.99Å; V81-I122 HydrophobicContact CG2-CD1 3.75Å; V81-I122 HydrophobicContact CG2-CG1 4.02Å |
| 82 | D | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -98.6 | 168 | 175.4 | 78.6 | 3 | 0 | 0 | 0 | 113.2 | A42 A43 R84 G85 R86 L88 | A42-D82 HydrophobicContact CB-CB 4.23Å; A43-D82 WeakPolarHBondContact O-CA 3.32Å; A43-D82 WeakPolarHBondContact O-CB 3.43Å; D82-R84 PolarHBondContact O-N 3.32Å; D82-R84 WeakPolarHBondContact OD1-CA 3.48Å; D82-R84 WeakPolarHBondContact OD1-CB 3.47Å; D82-R84 PolarHBondContact OD1-N 2.93Å; D82-G85 PolarHBondContact O-N 3.05Å; D82-G85 PolarHBondContact OD1-N 3.22Å; D82-R86 PolarHBondContact N-O 3.05Å; D82-R86 WeakPolarHBondContact OD1-CB 3.2Å; D82-R86 PolarHBondContact OD1-N 3.32Å; D82-R86 IonicContact OD1-NE 3.41Å; D82-R86 IonicContact OD2-CZ 2.87Å; D82-R86 IonicContact OD2-NE 3.07Å; D82-R86 PolarHBondContact OD2-NE 3.31Å; D82-R86 IonicContact OD2-NH2 3.37Å; D82-R86 PolarHBondContact OD2-NH2 3.37Å; D82-L88 HydrophobicContact CB-CD1 4.09Å |
| 83 | S | 92.6 | Very high | 93.2 | Very high | 76 Ų | 76 | 35.8 Ų | 35.8 | 53% | 0.531 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -8.8 | 176.6 | 52 | 0 | 0 | 0 | 0 | 114.7 | A43 | A43-S83 WeakPolarHBondContact O-CB 3.09Å; A43-S83 PolarHBondContact O-N 3.16Å; A43-S83 PolarHBondContact O-OG 3.31Å |
| 84 | R | 92.4 | Very high | 92.8 | Very high | 150 Ų | 150 | 36.3 Ų | 36.3 | 57% | 0.566 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 4.4 | 173.2 | -58.5 | -178.6 | -176.7 | 149.7 | 9.8 | 112 | D41 A42 D82 R86 | D41-R84 PolarHBondContact O-NH2 3.48Å; D41-R84 IonicContact OD2-NH1 3.9Å; D41-R84 PolarHBondContact OD2-NH1 3.12Å; A42-R84 HydrophobicContact CB-CG 4.17Å; D82-R84 PolarHBondContact O-N 3.32Å; D82-R84 WeakPolarHBondContact OD1-CA 3.48Å; D82-R84 WeakPolarHBondContact OD1-CB 3.47Å; D82-R84 PolarHBondContact OD1-N 2.93Å; R84-R86 VanDerWaalsContact C-N 3.3Å; R84-R86 HydrophobicContact CB-CG 4.22Å |
| 85 | G | 92 | Very high | 92.3 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 70.2 | 25.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | D82 S106 F107 | D82-G85 PolarHBondContact O-N 3.05Å; D82-G85 PolarHBondContact OD1-N 3.22Å; G85-S106 WeakPolarHBondContact O-CA 3.5Å; G85-F107 WeakPolarHBondContact O-CD2 3.27Å; G85-F107 PolarHBondContact O-N 3.36Å |
| 86 | R | 94.7 | Very high | 91.9 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.2 | 174.2 | -58.5 | -179.4 | -64.5 | 172.5 | 7.5 | 109.4 | D41 V81 D82 R84 L88 E103 | D41-R86 IonicContact OD1-CZ 3.48Å; D41-R86 IonicContact OD1-NH2 3.14Å; D41-R86 PolarHBondContact OD1-NH2 3.22Å; D41-R86 IonicContact OD2-CZ 3.99Å; D41-R86 IonicContact OD2-NH1 2.73Å; D41-R86 PolarHBondContact OD2-NH1 2.85Å; D41-R86 IonicContact OD2-NH2 3.98Å; D41-R86 PolarHBondContact OD2-NH2 2.93Å; V81-R86 WeakPolarHBondContact CA-O 3.13Å; D82-R86 PolarHBondContact N-O 3.05Å; D82-R86 WeakPolarHBondContact OD1-CB 3.2Å; D82-R86 PolarHBondContact OD1-N 3.32Å; D82-R86 IonicContact OD1-NE 3.41Å; D82-R86 IonicContact OD2-CZ 2.87Å; D82-R86 IonicContact OD2-NE 3.07Å; D82-R86 PolarHBondContact OD2-NE 3.31Å; D82-R86 IonicContact OD2-NH2 3.37Å; D82-R86 PolarHBondContact OD2-NH2 3.37Å; R84-R86 VanDerWaalsContact C-N 3.3Å; R84-R86 HydrophobicContact CB-CG 4.22Å; R86-L88 HydrophobicContact CB-CD2 4.11Å; R86-L88 HydrophobicContact CB-CG 4.33Å; R86-E103 HydrophobicContact CB-CG 4.18Å; R86-E103 WeakPolarHBondContact CD-OE2 3.32Å; R86-E103 HydrophobicContact CG-CG 4.35Å |
| 87 | V | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 115.4 | 164.4 | -175 | 0 | 0 | 0 | 0 | 107.2 | L79 V81 V104 F105 F107 I122 L132 W155 | L79-V87 HydrophobicContact CD2-CG1 4.36Å; V81-V87 HydrophobicContact CG2-CG2 4.33Å; V87-V104 HydrophobicContact CB-CG2 4.01Å; V87-V104 HydrophobicContact CG1-CG2 3.67Å; V87-V104 WeakPolarHBondContact O-CG2 3.45Å; V87-V104 PolarHBondContact O-N 2.91Å; V87-F105 HydrophobicContact CB-CB 4.04Å; V87-F105 HydrophobicContact CG2-CB 4.08Å; V87-F105 HydrophobicContact CG2-CD1 3.93Å; V87-F105 PolarHBondContact N-O 3.44Å; V87-F107 HydrophobicContact CG2-CE2 3.98Å; V87-F107 HydrophobicContact CG2-CZ 4.46Å; V87-I122 HydrophobicContact CG1-CD1 3.85Å; V87-L132 HydrophobicContact CG2-CD1 3.98Å; V87-L132 HydrophobicContact CG2-CD2 4.49Å; V87-W155 HydrophobicContact CG1-CH2 4.49Å; V87-W155 HydrophobicContact CG1-CZ3 4.37Å |
| 88 | L | 95.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 142.6 | -178.9 | -61.5 | 177 | 0 | 0 | 0 | 109.6 | L79 F80 D82 R86 P101 K102 E103 | L79-L88 WeakPolarHBondContact CA-O 3.49Å; F80-L88 HydrophobicContact CE1-CB 4.08Å; F80-L88 HydrophobicContact CE2-CB 4.08Å; F80-L88 HydrophobicContact CE2-CD1 3.62Å; F80-L88 HydrophobicContact CE2-CG 4.38Å; F80-L88 HydrophobicContact CZ-CB 3.82Å; F80-L88 HydrophobicContact CZ-CD1 3.76Å; F80-L88 HydrophobicContact CZ-CG 4.43Å; F80-L88 PolarHBondContact N-O 3.24Å; F80-L88 VanDerWaalsContact N-O 3.09Å; F80-L88 PolarHBondContact O-N 2.71Å; D82-L88 HydrophobicContact CB-CD1 4.09Å; R86-L88 HydrophobicContact CB-CD2 4.11Å; R86-L88 HydrophobicContact CB-CG 4.33Å; L88-P101 HydrophobicContact CB-CB 3.99Å; L88-P101 HydrophobicContact CD1-CB 4.35Å; L88-K102 CarbonylContact C-O 3.59Å; L88-K102 WeakPolarHBondContact CA-O 3.45Å; L88-E103 HydrophobicContact CD2-CB 4.01Å |
| 89 | S | 94.6 | Very high | 90.9 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.7 | 173.4 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | V78 P101 K102 | V78-S89 WeakPolarHBondContact O-CA 3.41Å; S89-P101 CarbonylContact O-C 3.56Å; S89-P101 WeakPolarHBondContact O-CA 3.36Å; S89-K102 PolarHBondContact N-O 3.26Å; S89-K102 PolarHBondContact O-N 2.77Å |
| 90 | L | 93.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.8 | 169.8 | -176.1 | 79.5 | 0 | 0 | 0 | 108.7 | V38 S77 V78 G99 P101 L580 | V38-L90 HydrophobicContact CG2-CD2 4.17Å; S77-L90 CarbonylContact C-O 3.55Å; S77-L90 VanDerWaalsContact CA-O 3.3Å; S77-L90 WeakPolarHBondContact CA-O 3.16Å; V78-L90 HydrophobicContact CG2-CB 4.21Å; V78-L90 PolarHBondContact N-O 3.37Å; V78-L90 PolarHBondContact O-N 3.33Å; L90-G99 VanDerWaalsContact CD1-O 3.23Å; L90-G99 WeakPolarHBondContact CD1-O 3.21Å; L90-P101 HydrophobicContact CB-CB 4.48Å; L90-P101 HydrophobicContact CB-CG 4.46Å; L90-P101 HydrophobicContact CD1-CG 4.24Å; L90-L580 HydrophobicContact CB-CD2 4.17Å; L90-L580 HydrophobicContact CD2-CD2 3.45Å; L90-L580 VanDerWaalsContact CD2-CD2 3.45Å; L90-L580 HydrophobicContact CD2-CG 4.33Å; L90-L580 HydrophobicContact CG-CD2 4.42Å |
| 91 | S | 92.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.2 | 172.9 | -56.5 | 0 | 0 | 0 | 0 | 110 | D76 S77 T93 | D76-S91 WeakPolarHBondContact O-CA 3.43Å; S77-S91 WeakPolarHBondContact OG-CB 3.45Å; S77-S91 PolarHBondContact OG-OG 2.83Å; S91-T93 PolarHBondContact O-N 3.25Å |
| 92 | V | 91.3 | Very high | 90.2 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | trans | -83.4 | 109.3 | 176 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | D76 L98 F573 V582 | D76-V92 HydrophobicContact CB-CB 4.3Å; D76-V92 PolarHBondContact O-N 2.91Å; V92-L98 HydrophobicContact CB-CD2 4.25Å; V92-L98 HydrophobicContact CG1-CD2 3.71Å; V92-L98 HydrophobicContact CG2-CD2 3.91Å; V92-F573 HydrophobicContact CG2-CE1 3.83Å; V92-F573 HydrophobicContact CG2-CZ 4.21Å; V92-V582 HydrophobicContact CG2-CG1 4.21Å; V92-V582 HydrophobicContact CG2-CG2 4.48Å | ||
| 93 | T | 84.9 | Confident | 90.2 | Very high | 131 Ų | 131 | 57.1 Ų | 57.1 | 80% | 0.804 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -98.8 | -36.6 | 173.9 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | S91 | S91-T93 PolarHBondContact O-N 3.25Š|
| 94 | L | 83.5 | Confident | 90.3 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | trans | -143.5 | 122.4 | 178.2 | -164.9 | 108 | 0 | 0 | 0 | 108.8 | T96 A97 | L94-T96 WeakPolarHBondContact CD2-OG1 3.39Å; L94-T96 PolarHBondContact O-N 3.31Å; L94-A97 HydrophobicContact CB-CB 4.44Å; L94-A97 HydrophobicContact CD2-CB 3.67Å; L94-A97 CarbonylContact O-C 3.59Å; L94-A97 PolarHBondContact O-N 3.34Å | ||
| 95 | D | 80.6 | Confident | 90.4 | Very high | 20 Ų | 20 | 48 Ų | 48 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35.8 | -173.1 | -59.5 | -36.7 | 0 | 0 | 0 | 112.8 | Y36 A97 R571 K584 | Y36-D95 WeakPolarHBondContact CD1-O 3.48Å; Y36-D95 HydrophobicContact CD2-CB 4.49Å; Y36-D95 HydrophobicContact CE1-CB 4.47Å; Y36-D95 VanDerWaalsContact CE1-O 3.31Å; Y36-D95 WeakPolarHBondContact CE1-O 3.44Å; Y36-D95 HydrophobicContact CE2-CB 3.79Å; D95-A97 VanDerWaalsContact C-N 3.33Å; D95-A97 PolarHBondContact O-N 2.87Å; D95-R571 IonicContact OD1-CZ 3.37Å; D95-R571 IonicContact OD1-NE 3.41Å; D95-R571 PolarHBondContact OD1-NE 2.9Å; D95-R571 VanDerWaalsContact OD1-NE 3.17Å; D95-R571 IonicContact OD1-NH2 3.71Å; D95-R571 PolarHBondContact OD1-NH2 3.14Å; D95-R571 IonicContact OD2-NH2 2.67Å; D95-K584 WeakPolarHBondContact OD2-CD 3.46Å; D95-K584 WeakPolarHBondContact OD2-CE 3.41Å; D95-K584 IonicContact OD2-NZ 3.6Å; D95-K584 PolarHBondContact OD2-NZ 3.39Å |
| 96 | T | 79.2 | Confident | 90.5 | Very high | 112 Ų | 112 | 50.1 Ų | 50.1 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.7 | -178 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | Y36 L94 | Y36-T96 HydrophobicContact CE1-CG2 4.47Å; L94-T96 WeakPolarHBondContact CD2-OG1 3.39Å; L94-T96 PolarHBondContact O-N 3.31Å |
| 97 | A | 82.9 | Confident | 90.2 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 50% | 0.504 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -139.1 | 61.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L94 D95 G99 | L94-A97 HydrophobicContact CB-CB 4.44Å; L94-A97 HydrophobicContact CD2-CB 3.67Å; L94-A97 CarbonylContact O-C 3.59Å; L94-A97 PolarHBondContact O-N 3.34Å; D95-A97 VanDerWaalsContact C-N 3.33Å; D95-A97 PolarHBondContact O-N 2.87Å; A97-G99 PolarHBondContact O-N 3.33Å |
| 98 | L | 88.4 | Confident | 89.4 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 23% | 0.225 | 31% | 0.308 | C | S | . | . | trans | -64.5 | 125.6 | 174.6 | -61.1 | -175.8 | 0 | 0 | 0 | 110.5 | Y36 V38 V92 V582 | Y36-L98 HydrophobicContact CG-CD1 4.39Å; V38-L98 HydrophobicContact CG2-CB 3.79Å; V38-L98 HydrophobicContact CG2-CD1 3.56Å; V38-L98 HydrophobicContact CG2-CG 4.33Å; V92-L98 HydrophobicContact CB-CD2 4.25Å; V92-L98 HydrophobicContact CG1-CD2 3.71Å; V92-L98 HydrophobicContact CG2-CD2 3.91Å; L98-V582 HydrophobicContact CD1-CB 4.22Å; L98-V582 HydrophobicContact CD1-CG2 3.85Å | ||
| 99 | G | 86.9 | Confident | 87.9 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | trans | -74.5 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L90 A97 | L90-G99 VanDerWaalsContact CD1-O 3.23Å; L90-G99 WeakPolarHBondContact CD1-O 3.21Å; A97-G99 PolarHBondContact O-N 3.33Å | ||
| 100 | K | 91.2 | Very high | 86.1 | Confident | 164 Ų | 164 | 65.5 Ų | 65.5 | 71% | 0.713 | 39% | 0.385 | S | S | * | . | trans | -80.2 | 149.2 | 168.7 | -67.3 | -171 | 176.4 | -170.3 | 0 | 110.6 | K102 | K100-K102 PolarHBondContact O-N 2.98Š| ||
| 101 | P | 94.1 | Very high | 84.3 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 13% | 0.13 | 39% | 0.391 | C | S | . | . | trans | -55.6 | 139.1 | 169.8 | -21.9 | 33.3 | 0 | 0 | 0 | 110.7 | V38 L40 F80 L88 S89 L90 | V38-P101 HydrophobicContact CG1-CG 4.38Å; L40-P101 HydrophobicContact CD2-CG 3.94Å; F80-P101 HydrophobicContact CE1-CB 4.21Å; F80-P101 HydrophobicContact CE1-CG 4.24Å; F80-P101 HydrophobicContact CZ-CB 4.03Å; F80-P101 HydrophobicContact CZ-CG 3.98Å; L88-P101 HydrophobicContact CB-CB 3.99Å; L88-P101 HydrophobicContact CD1-CB 4.35Å; S89-P101 CarbonylContact O-C 3.56Å; S89-P101 WeakPolarHBondContact O-CA 3.36Å; L90-P101 HydrophobicContact CB-CB 4.48Å; L90-P101 HydrophobicContact CB-CG 4.46Å; L90-P101 HydrophobicContact CD1-CG 4.24Å | ||
| 102 | K | 92.8 | Very high | 82.6 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 45% | 0.452 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.9 | -178.2 | -64.5 | 178.3 | -174.1 | 175.7 | 0 | 110.1 | L88 S89 K100 V104 H152 | L88-K102 CarbonylContact C-O 3.59Å; L88-K102 WeakPolarHBondContact CA-O 3.45Å; S89-K102 PolarHBondContact N-O 3.26Å; S89-K102 PolarHBondContact O-N 2.77Å; K100-K102 PolarHBondContact O-N 2.98Å; K102-V104 PolarHBondContact O-N 2.84Å; K102-H152 WeakPolarHBondContact CD-CD2 3.42Å; K102-H152 VanDerWaalsContact CD-NE2 3.32Å; K102-H152 WeakPolarHBondContact CD-NE2 3.29Å; K102-H152 PolarHBondContact NZ-CD2 2.84Å; K102-H152 PolarHBondContact NZ-NE2 3.05Å |
| 103 | E | 94.3 | Very high | 81.1 | Confident | 69 Ų | 69 | 75.6 Ų | 75.6 | 32% | 0.322 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123.8 | 174 | -176.4 | -176.2 | 147.5 | 0 | 0 | 110.7 | R86 L88 S106 | R86-E103 HydrophobicContact CB-CG 4.18Å; R86-E103 WeakPolarHBondContact CD-OE2 3.32Å; R86-E103 HydrophobicContact CG-CG 4.35Å; L88-E103 HydrophobicContact CD2-CB 4.01Å; E103-S106 WeakPolarHBondContact OE1-CB 3.46Å; E103-S106 PolarHBondContact OE1-OG 2.98Å |
| 104 | V | 94.1 | Very high | 80.2 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -24.7 | 176.2 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | L79 V87 K102 W155 | L79-V104 HydrophobicContact CD2-CG2 4.4Å; V87-V104 HydrophobicContact CB-CG2 4.01Å; V87-V104 HydrophobicContact CG1-CG2 3.67Å; V87-V104 WeakPolarHBondContact O-CG2 3.45Å; V87-V104 PolarHBondContact O-N 2.91Å; K102-V104 PolarHBondContact O-N 2.84Å; V104-W155 HydrophobicContact CB-CD2 4.29Å; V104-W155 HydrophobicContact CB-CG 4.42Å; V104-W155 HydrophobicContact CB-CZ2 4.4Å; V104-W155 HydrophobicContact CG2-CD2 4.12Å; V104-W155 HydrophobicContact CG2-CE3 4.48Å; V104-W155 HydrophobicContact CG2-CH2 4.27Å; V104-W155 HydrophobicContact CG2-CZ2 3.85Å; V104-W155 PolarHBondContact O-N 3.3Å |
| 105 | F | 95.2 | Very high | 79.5 | Confident | 27 Ų | 27 | 74.7 Ų | 74.7 | 12% | 0.118 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 157.8 | 178 | -177.8 | -103.6 | 0 | 0 | 0 | 110.9 | V87 F107 L132 L140 L142 W155 V157 | V87-F105 HydrophobicContact CB-CB 4.04Å; V87-F105 HydrophobicContact CG2-CB 4.08Å; V87-F105 HydrophobicContact CG2-CD1 3.93Å; V87-F105 PolarHBondContact N-O 3.44Å; F105-F107 AromaticContact CE1-CD1 3.87Å; F105-F107 HydrophobicContact CE1-CD1 3.87Å; F105-F107 HydrophobicContact CE1-CE1 4.09Å; F105-F107 HydrophobicContact CE1-CG 4.11Å; F105-F107 HydrophobicContact CE1-CZ 4.5Å; F105-L132 HydrophobicContact CD1-CD1 3.39Å; F105-L132 HydrophobicContact CE1-CD1 3.76Å; F105-L132 HydrophobicContact CG-CD1 4.06Å; F105-L140 HydrophobicContact CE1-CD1 3.86Å; F105-L140 HydrophobicContact CZ-CD1 3.8Å; F105-L142 HydrophobicContact CD1-CD2 4.23Å; F105-L142 HydrophobicContact CD2-CD2 3.3Å; F105-L142 HydrophobicContact CE1-CD2 4.29Å; F105-L142 HydrophobicContact CE2-CD2 3.4Å; F105-L142 HydrophobicContact CG-CD2 3.75Å; F105-L142 HydrophobicContact CZ-CD2 3.91Å; F105-W155 HydrophobicContact CB-CB 4.42Å; F105-W155 HydrophobicContact CB-CE3 4.23Å; F105-V157 HydrophobicContact CE2-CG2 3.56Å; F105-V157 HydrophobicContact CZ-CG2 4.03Å |
| 106 | S | 93.8 | Very high | 79.5 | Confident | 53 Ų | 53 | 77.4 Ų | 77.4 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 136.5 | 171.3 | 40.4 | 0 | 0 | 0 | 0 | 111.3 | G85 E103 G108 | G85-S106 WeakPolarHBondContact O-CA 3.5Å; E103-S106 WeakPolarHBondContact OE1-CB 3.46Å; E103-S106 PolarHBondContact OE1-OG 2.98Å; S106-G108 PolarHBondContact O-N 3.01Å |
| 107 | F | 87.9 | Confident | 79.8 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 11% | 0.11 | 43% | 0.427 | C | S | . | . | trans | -72.9 | -5.9 | -175.7 | -68.4 | -83.4 | 0 | 0 | 0 | 114.2 | V81 G85 V87 F105 A120 L132 S133 D134 L140 | V81-F107 HydrophobicContact CG1-CE2 4.26Å; G85-F107 WeakPolarHBondContact O-CD2 3.27Å; G85-F107 PolarHBondContact O-N 3.36Å; V87-F107 HydrophobicContact CG2-CE2 3.98Å; V87-F107 HydrophobicContact CG2-CZ 4.46Å; F105-F107 AromaticContact CE1-CD1 3.87Å; F105-F107 HydrophobicContact CE1-CD1 3.87Å; F105-F107 HydrophobicContact CE1-CE1 4.09Å; F105-F107 HydrophobicContact CE1-CG 4.11Å; F105-F107 HydrophobicContact CE1-CZ 4.5Å; F107-A120 HydrophobicContact CE2-CB 3.81Å; F107-A120 HydrophobicContact CZ-CB 3.96Å; F107-L132 HydrophobicContact CE1-CB 4.01Å; F107-L132 HydrophobicContact CE1-CD1 4.37Å; F107-L132 HydrophobicContact CZ-CB 4Å; F107-L132 HydrophobicContact CZ-CD1 4.1Å; F107-S133 WeakPolarHBondContact CZ-O 3.22Å; F107-D134 HydrophobicContact CD1-CB 3.71Å; F107-D134 HydrophobicContact CE1-CB 3.92Å; F107-D134 HydrophobicContact CG-CB 4.46Å; F107-L140 HydrophobicContact CD1-CD1 3.84Å; F107-L140 HydrophobicContact CE1-CD1 3.8Å | ||
| 108 | G | 79.7 | Confident | 80.1 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | trans | 75.7 | 166.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S106 E110 S111 | S106-G108 PolarHBondContact O-N 3.01Å; G108-E110 VanDerWaalsContact C-N 3.33Å; G108-E110 PolarHBondContact O-N 2.97Å; G108-S111 PolarHBondContact O-OG 2.88Å | ||
| 109 | S | 64.4 | Low | 80.2 | Confident | 128 Ų | 128 | 70.8 Ų | 70.8 | 90% | 0.895 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14.3 | -168.4 | -46.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 110 | E | 57.8 | Low | 80.5 | Confident | 176 Ų | 176 | 69 Ų | 69 | 82% | 0.822 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -12.2 | -173.8 | -62.2 | -174.7 | 166.5 | 0 | 0 | 113.2 | G108 G112 | G108-E110 VanDerWaalsContact C-N 3.33Å; G108-E110 PolarHBondContact O-N 2.97Å; E110-G112 PolarHBondContact O-N 2.7Å; E110-G112 VanDerWaalsContact O-N 3.11Å |
| 111 | S | 56.1 | Low | 80.7 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -4.2 | -175.6 | 58.8 | 0 | 0 | 0 | 0 | 115.3 | G108 R117 | G108-S111 PolarHBondContact O-OG 2.88Å; S111-R117 PolarHBondContact O-NH1 2.87Å |
| 112 | G | 55.5 | Low | 80.9 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | E110 | E110-G112 PolarHBondContact O-N 2.7Å; E110-G112 VanDerWaalsContact O-N 3.11Å |
| 113 | Q | 59.5 | Low | 81.1 | Confident | 180 Ų | 180 | 57.1 Ų | 57.1 | 84% | 0.841 | 33% | 0.331 | S | S | * | . | trans | -97 | -4.7 | -169.1 | -65 | -170.3 | -4.2 | 0 | 0 | 115.8 | E115 | Q113-E115 PolarHBondContact O-N 3.31Š| ||
| 114 | A | 66.7 | Low | 81.2 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | trans | -78.2 | 124 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D116 R117 A136 | A114-D116 VanDerWaalsContact C-N 3.33Å; A114-D116 PolarHBondContact O-N 2.98Å; A114-R117 HydrophobicContact CB-CB 4.19Å; A114-R117 WeakPolarHBondContact O-CB 3.5Å; A114-R117 PolarHBondContact O-N 3.14Å; A114-A136 HydrophobicContact CB-CB 3.67Å | ||
| 115 | E | 68.7 | Low | 81.2 | Confident | 163 Ų | 163 | 54.4 Ų | 54.4 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -42.2 | -175.3 | -172.1 | 168.9 | -175.9 | 0 | 0 | 111.7 | K50 Q113 | K50-E115 VanDerWaalsContact CE-O 3.24Å; K50-E115 WeakPolarHBondContact CE-O 3.16Å; K50-E115 PolarHBondContact NZ-O 3.48Å; Q113-E115 PolarHBondContact O-N 3.31Å |
| 116 | D | 79.9 | Confident | 81.2 | Confident | 77 Ų | 77 | 54 Ų | 54 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 31.5 | -175.4 | -62.7 | -36.6 | 0 | 0 | 0 | 114.2 | K50 H53 A114 P166 | K50-D116 IonicContact NZ-OD1 2.88Å; K50-D116 PolarHBondContact NZ-OD1 3.17Å; H53-D116 IonicContact CE1-OD1 2.92Å; H53-D116 PolarHBondContact CE1-OD1 2.84Å; H53-D116 IonicContact NE2-OD1 2.72Å; A114-D116 VanDerWaalsContact C-N 3.33Å; A114-D116 PolarHBondContact O-N 2.98Å; D116-P166 VanDerWaalsContact O-CG 3.31Å; D116-P166 WeakPolarHBondContact O-CG 3.47Å |
| 117 | R | 86.1 | Confident | 81.2 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 145 | 178.9 | 169.6 | 175.6 | 157.2 | 159.9 | -2.6 | 113 | E45 L47 S111 A114 G135 | E45-R117 IonicContact OE1-CZ 2.7Å; E45-R117 IonicContact OE1-NE 3.23Å; E45-R117 IonicContact OE1-NH2 3.32Å; E45-R117 PolarHBondContact OE1-NH2 2.93Å; E45-R117 IonicContact OE2-NH2 3.31Å; E45-R117 PolarHBondContact OE2-NH2 3.41Å; L47-R117 HydrophobicContact CD1-CG 3.95Å; L47-R117 WeakPolarHBondContact CD1-O 3.32Å; S111-R117 PolarHBondContact O-NH1 2.87Å; A114-R117 HydrophobicContact CB-CB 4.19Å; A114-R117 WeakPolarHBondContact O-CB 3.5Å; A114-R117 PolarHBondContact O-N 3.14Å; R117-G135 CarbonylContact C-O 3.48Å; R117-G135 WeakPolarHBondContact CA-O 3.47Å |
| 118 | L | 88.9 | Confident | 81.5 | Confident | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 167.4 | 169.8 | -52.5 | -179.9 | 0 | 0 | 0 | 111.4 | L47 F62 A120 G135 P166 F167 | L47-L118 WeakPolarHBondContact CD1-O 3.43Å; F62-L118 HydrophobicContact CD1-CD2 4.31Å; F62-L118 HydrophobicContact CE1-CD2 3.14Å; F62-L118 HydrophobicContact CE1-CG 4.47Å; F62-L118 HydrophobicContact CE2-CD2 4.11Å; F62-L118 HydrophobicContact CZ-CD2 3.04Å; F62-L118 HydrophobicContact CZ-CG 4.47Å; L118-A120 PolarHBondContact O-N 3.46Å; L118-G135 PolarHBondContact N-O 2.81Å; L118-G135 WeakPolarHBondContact O-CA 3.32Å; L118-P166 HydrophobicContact CD1-CB 4Å; L118-P166 HydrophobicContact CG-CB 3.74Å; L118-F167 VanDerWaalsContact CD1-C 3.46Å |
| 119 | C | 91.1 | Very high | 82.2 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 9% | 0.088 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 140.3 | 168.2 | -64.8 | 0 | 0 | 0 | 0 | 109.6 | L47 F65 S121 | L47-C119 PolarHBondContact N-SG 2.94Å; F65-C119 HydrophobicContact CD1-CB 4.13Å; F65-C119 HydrophobicContact CE1-CB 3.75Å; F65-C119 HydrophobicContact CZ-CB 4.37Å; C119-S121 PolarHBondContact O-N 3.14Å |
| 120 | A | 93.6 | Very high | 83.8 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 139.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | E45 F65 V81 F107 L118 S133 | E45-A120 PolarHBondContact OE1-N 3.35Å; F65-A120 WeakPolarHBondContact CZ-O 3.31Å; V81-A120 HydrophobicContact CB-CB 4.31Å; V81-A120 HydrophobicContact CG1-CB 4.04Å; V81-A120 HydrophobicContact CG2-CB 3.99Å; F107-A120 HydrophobicContact CE2-CB 3.81Å; F107-A120 HydrophobicContact CZ-CB 3.96Å; L118-A120 PolarHBondContact O-N 3.46Å; A120-S133 VanDerWaalsContact CA-O 3.23Å; A120-S133 WeakPolarHBondContact CA-O 3.24Å; A120-S133 WeakPolarHBondContact CB-O 3.21Å |
| 121 | S | 95.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.2 | -179 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | C119 L132 S133 I169 | C119-S121 PolarHBondContact O-N 3.14Å; S121-L132 WeakPolarHBondContact O-CA 3.34Å; S121-S133 PolarHBondContact N-O 3.43Å; S121-S133 VanDerWaalsContact N-O 3.16Å; S121-S133 PolarHBondContact O-N 3.06Å; S121-S133 VanDerWaalsContact OG-CB 3.29Å; S121-S133 WeakPolarHBondContact OG-CB 3.34Å; S121-I169 PolarHBondContact OG-N 2.93Å |
| 122 | I | 97 | Very high | 87.7 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.8 | -175.8 | -52 | 172 | 0 | 0 | 0 | 108.4 | L79 V81 V87 L124 L132 | L79-I122 HydrophobicContact CB-CD1 4.22Å; V81-I122 HydrophobicContact CG2-CD1 3.75Å; V81-I122 HydrophobicContact CG2-CG1 4.02Å; V87-I122 HydrophobicContact CG1-CD1 3.85Å; I122-L124 HydrophobicContact CG2-CD2 4.45Å; I122-L132 HydrophobicContact CB-CD2 3.92Å; I122-L132 HydrophobicContact CG1-CD2 3.64Å; I122-L132 HydrophobicContact CG2-CD2 3.77Å |
| 123 | S | 96.9 | Very high | 89.6 | Confident | 15 Ų | 15 | 34.4 Ų | 34.4 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 124.5 | 167.2 | -168.4 | 0 | 0 | 0 | 0 | 110.1 | T125 A130 A131 S172 | S123-T125 PolarHBondContact O-N 3.46Å; S123-A130 CarbonylContact O-C 3.57Å; S123-A130 WeakPolarHBondContact O-CA 3.42Å; S123-A131 PolarHBondContact N-O 2.95Å; S123-A131 PolarHBondContact O-N 3.12Å; S123-S172 VanDerWaalsContact CB-OG 3.25Å; S123-S172 WeakPolarHBondContact CB-OG 3.39Å; S123-S172 WeakPolarHBondContact OG-CB 3.11Å; S123-S172 PolarHBondContact OG-N 2.79Å; S123-S172 PolarHBondContact OG-OG 2.89Å |
| 124 | L | 96.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 101 | 179.2 | -61.4 | 177.1 | 0 | 0 | 0 | 109.1 | Q69 D71 W73 L79 I122 S126 A130 W155 | Q69-L124 HydrophobicContact CG-CG 4.47Å; D71-L124 HydrophobicContact CB-CD1 3.89Å; W73-L124 HydrophobicContact CZ3-CB 3.92Å; L79-L124 HydrophobicContact CD1-CD1 4.07Å; I122-L124 HydrophobicContact CG2-CD2 4.45Å; L124-S126 VanDerWaalsContact C-N 3.33Å; L124-S126 PolarHBondContact O-N 3.37Å; L124-A130 HydrophobicContact CD2-CB 3.95Å; L124-W155 HydrophobicContact CD2-CH2 4.11Å |
| 125 | T | 95.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 24.2 Ų | 24.2 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -24.7 | -171.1 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | S123 W129 A131 S172 S174 V183 | S123-T125 PolarHBondContact O-N 3.46Å; T125-W129 PolarHBondContact N-O 2.86Å; T125-W129 VanDerWaalsContact N-O 3.14Å; T125-W129 WeakPolarHBondContact OG1-CB 3.41Å; T125-W129 PolarHBondContact OG1-O 2.88Å; T125-A131 HydrophobicContact CG2-CB 3.73Å; T125-S172 WeakPolarHBondContact CG2-OG 3.35Å; T125-S174 WeakPolarHBondContact O-CB 3.5Å; T125-S174 PolarHBondContact O-N 2.87Å; T125-V183 HydrophobicContact CG2-CG1 3.51Å |
| 126 | S | 95 | Very high | 93.4 | Very high | 19 Ų | 19 | 17.1 Ų | 17.1 | 13% | 0.133 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | -179.2 | 171.9 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | W73 L124 T128 W129 R147 | W73-S126 VanDerWaalsContact CZ2-C 3.47Å; W73-S126 VanDerWaalsContact CZ2-CA 3.43Å; W73-S126 WeakPolarHBondContact CZ3-O 3.44Å; L124-S126 VanDerWaalsContact C-N 3.33Å; L124-S126 PolarHBondContact O-N 3.37Å; S126-T128 PolarHBondContact O-N 3.44Å; S126-T128 PolarHBondContact OG-N 2.77Å; S126-W129 PolarHBondContact N-O 2.89Å; S126-W129 PolarHBondContact O-N 2.98Å; S126-W129 VanDerWaalsContact O-O 3.11Å; S126-W129 WeakPolarHBondContact OG-CB 3.44Å; S126-W129 PolarHBondContact OG-N 2.81Å; S126-W129 VanDerWaalsContact OG-N 3.14Å; S126-R147 PolarHBondContact O-NH1 3.14Å; S126-R147 PolarHBondContact O-NH2 2.83Å |
| 127 | A | 93.3 | Very high | 94 | Very high | 28 Ų | 28 | 13.5 Ų | 13.5 | 23% | 0.231 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -16.2 | 170 | 0 | 0 | 0 | 0 | 0 | 114.5 | W73 R147 | W73-A127 HydrophobicContact CB-CB 4.33Å; W73-A127 HydrophobicContact CD2-CB 3.88Å; W73-A127 VanDerWaalsContact CE2-N 3.29Å; W73-A127 HydrophobicContact CG-CB 3.68Å; A127-R147 PolarHBondContact O-NH1 2.82Å |
| 128 | T | 93.4 | Very high | 94.4 | Very high | 49 Ų | 49 | 14.1 Ų | 14.1 | 30% | 0.301 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | 4.7 | -174.4 | 59.6 | 0 | 0 | 0 | 0 | 115.1 | S126 T144 G145 R146 | S126-T128 PolarHBondContact O-N 3.44Å; S126-T128 PolarHBondContact OG-N 2.77Å; T128-T144 WeakPolarHBondContact CA-OG1 3.02Å; T128-T144 PolarHBondContact O-N 2.9Å; T128-T144 PolarHBondContact O-OG1 2.92Å; T128-G145 WeakPolarHBondContact CA-O 3.35Å; T128-R146 HydrophobicContact CG2-CG 4.3Å |
| 129 | W | 95.1 | Very high | 94.8 | Very high | 22 Ų | 22 | 13.2 Ų | 13.2 | 8% | 0.083 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152.7 | -178.5 | -73.4 | 79 | 0 | 0 | 0 | 111.9 | T125 S126 L141 L142 R147 L158 H181 Y223 | T125-W129 PolarHBondContact N-O 2.86Å; T125-W129 VanDerWaalsContact N-O 3.14Å; T125-W129 WeakPolarHBondContact OG1-CB 3.41Å; T125-W129 PolarHBondContact OG1-O 2.88Å; S126-W129 PolarHBondContact N-O 2.89Å; S126-W129 PolarHBondContact O-N 2.98Å; S126-W129 VanDerWaalsContact O-O 3.11Å; S126-W129 WeakPolarHBondContact OG-CB 3.44Å; S126-W129 PolarHBondContact OG-N 2.81Å; S126-W129 VanDerWaalsContact OG-N 3.14Å; W129-L141 HydrophobicContact CE3-CB 4.43Å; W129-L141 HydrophobicContact CZ3-CB 4.23Å; W129-L142 VanDerWaalsContact CA-O 3.31Å; W129-L142 WeakPolarHBondContact CA-O 3.33Å; W129-R147 PolarHBondContact O-NH1 3.35Å; W129-L158 HydrophobicContact CH2-CB 4.11Å; W129-L158 HydrophobicContact CH2-CD1 3.22Å; W129-L158 HydrophobicContact CH2-CG 4.28Å; W129-L158 HydrophobicContact CZ2-CD1 3.75Å; W129-L158 HydrophobicContact CZ3-CB 4.18Å; W129-L158 HydrophobicContact CZ3-CD1 3.86Å; W129-H181 AromaticContact CD2-CE1 3.55Å; W129-H181 AromaticContact CE2-CE1 3.32Å; W129-H181 AromaticContact CE2-ND1 3.91Å; W129-H181 AromaticContact CE2-NE2 3.88Å; W129-H181 AromaticContact CE3-CE1 3.9Å; W129-H181 AromaticContact CH2-CE1 3.83Å; W129-H181 AromaticContact CH2-ND1 3.93Å; W129-H181 AromaticContact CZ2-CE1 3.5Å; W129-H181 VanDerWaalsContact CZ2-CE1 3.5Å; W129-H181 WeakPolarHBondContact CZ2-CE1 3.38Å; W129-H181 AromaticContact CZ2-ND1 3.63Å; W129-H181 AromaticContact NE1-CE1 3.73Å; W129-H181 AromaticContact NE1-NE2 3.82Å; W129-Y223 HydrophobicContact CH2-CD2 4.27Å; W129-Y223 AromaticContact CH2-CE1 3.96Å; W129-Y223 HydrophobicContact CH2-CE1 3.96Å; W129-Y223 AromaticContact CH2-CE2 3.48Å; W129-Y223 HydrophobicContact CH2-CE2 3.48Å; W129-Y223 VanDerWaalsContact CH2-CE2 3.48Å; W129-Y223 AromaticContact CH2-CZ 3.29Å; W129-Y223 WeakPolarHBondContact CH2-OH 3.49Å; W129-Y223 HydrophobicContact CZ2-CE2 4.3Å; W129-Y223 AromaticContact CZ2-CZ 3.87Å; W129-Y223 VanDerWaalsContact CZ2-OH 3.27Å; W129-Y223 WeakPolarHBondContact CZ2-OH 3.3Å; W129-Y223 HydrophobicContact CZ3-CE1 4.47Å; W129-Y223 HydrophobicContact CZ3-CE2 4.34Å |
| 130 | A | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | S123 L124 L142 T144 W155 | S123-A130 CarbonylContact O-C 3.57Å; S123-A130 WeakPolarHBondContact O-CA 3.42Å; L124-A130 HydrophobicContact CD2-CB 3.95Å; A130-L142 PolarHBondContact N-O 2.93Å; A130-L142 PolarHBondContact O-N 3.24Å; A130-T144 HydrophobicContact CB-CG2 3.74Å; A130-W155 HydrophobicContact CB-CE3 4.18Å; A130-W155 HydrophobicContact CB-CH2 3.92Å; A130-W155 HydrophobicContact CB-CZ3 3.59Å |
| 131 | A | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.9 | 167 | 0 | 0 | 0 | 0 | 0 | 108.7 | S123 T125 L140 L141 I169 V185 | S123-A131 PolarHBondContact N-O 2.95Å; S123-A131 PolarHBondContact O-N 3.12Å; T125-A131 HydrophobicContact CG2-CB 3.73Å; A131-L140 CarbonylContact C-O 3.53Å; A131-L140 WeakPolarHBondContact CA-O 3.33Å; A131-L141 HydrophobicContact CB-CD2 3.57Å; A131-I169 HydrophobicContact CB-CD1 4.01Å; A131-V185 HydrophobicContact CB-CG1 4.35Å; A131-V185 HydrophobicContact CB-CG2 4.31Å |
| 132 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.2 | 177.1 | -61.1 | -179.5 | 0 | 0 | 0 | 110.5 | V87 F105 F107 S121 I122 L140 L142 W155 | V87-L132 HydrophobicContact CG2-CD1 3.98Å; V87-L132 HydrophobicContact CG2-CD2 4.49Å; F105-L132 HydrophobicContact CD1-CD1 3.39Å; F105-L132 HydrophobicContact CE1-CD1 3.76Å; F105-L132 HydrophobicContact CG-CD1 4.06Å; F107-L132 HydrophobicContact CE1-CB 4.01Å; F107-L132 HydrophobicContact CE1-CD1 4.37Å; F107-L132 HydrophobicContact CZ-CB 4Å; F107-L132 HydrophobicContact CZ-CD1 4.1Å; S121-L132 WeakPolarHBondContact O-CA 3.34Å; I122-L132 HydrophobicContact CB-CD2 3.92Å; I122-L132 HydrophobicContact CG1-CD2 3.64Å; I122-L132 HydrophobicContact CG2-CD2 3.77Å; L132-L140 HydrophobicContact CB-CB 4.24Å; L132-L140 PolarHBondContact N-O 2.96Å; L132-L140 PolarHBondContact O-N 2.98Å; L132-L142 HydrophobicContact CB-CD1 4Å; L132-L142 HydrophobicContact CD1-CD1 3.49Å; L132-L142 VanDerWaalsContact CD1-CD1 3.49Å; L132-L142 HydrophobicContact CD1-CD2 4.15Å; L132-L142 HydrophobicContact CG-CD1 3.52Å; L132-W155 HydrophobicContact CD1-CE3 4.4Å; L132-W155 HydrophobicContact CD1-CZ3 4.36Å; L132-W155 HydrophobicContact CD2-CZ3 4.34Å |
| 133 | S | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.8 | 162.4 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | F107 A120 S121 G135 Q138 F167 | F107-S133 WeakPolarHBondContact CZ-O 3.22Å; A120-S133 VanDerWaalsContact CA-O 3.23Å; A120-S133 WeakPolarHBondContact CA-O 3.24Å; A120-S133 WeakPolarHBondContact CB-O 3.21Å; S121-S133 PolarHBondContact N-O 3.43Å; S121-S133 VanDerWaalsContact N-O 3.16Å; S121-S133 PolarHBondContact O-N 3.06Å; S121-S133 VanDerWaalsContact OG-CB 3.29Å; S121-S133 WeakPolarHBondContact OG-CB 3.34Å; S133-G135 PolarHBondContact O-N 2.83Å; S133-G135 PolarHBondContact OG-N 2.89Å; S133-G135 VanDerWaalsContact OG-N 3.1Å; S133-Q138 WeakPolarHBondContact CA-O 3.4Å; S133-F167 VanDerWaalsContact CB-CE2 3.5Å; S133-F167 WeakPolarHBondContact OG-CE2 3.27Å; S133-F167 PolarHBondContact OG-O 3.05Å |
| 134 | D | 92.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | trans | -77.5 | -4.1 | 169.5 | 72.2 | -17.5 | 0 | 0 | 0 | 112.9 | F107 A136 G137 Q138 | F107-D134 HydrophobicContact CD1-CB 3.71Å; F107-D134 HydrophobicContact CE1-CB 3.92Å; F107-D134 HydrophobicContact CG-CB 4.46Å; D134-A136 PolarHBondContact O-N 3.46Å; D134-A136 WeakPolarHBondContact OD1-CA 3.35Å; D134-A136 PolarHBondContact OD1-N 3.49Å; D134-G137 PolarHBondContact OD1-N 2.8Å; D134-G137 VanDerWaalsContact OD1-N 3.14Å; D134-Q138 HydrophobicContact CB-CB 4.3Å; D134-Q138 PolarHBondContact N-O 3.27Å; D134-Q138 WeakPolarHBondContact OD1-CB 3.39Å; D134-Q138 PolarHBondContact OD1-N 2.89Å; D134-Q138 VanDerWaalsContact OD2-CB 3.26Å; D134-Q138 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 135 | G | 91.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 74.7 | -3.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R117 L118 S133 P166 | R117-G135 CarbonylContact C-O 3.48Å; R117-G135 WeakPolarHBondContact CA-O 3.47Å; L118-G135 PolarHBondContact N-O 2.81Å; L118-G135 WeakPolarHBondContact O-CA 3.32Å; S133-G135 PolarHBondContact O-N 2.83Å; S133-G135 PolarHBondContact OG-N 2.89Å; S133-G135 VanDerWaalsContact OG-N 3.1Å; G135-P166 WeakPolarHBondContact O-CB 3.27Å |
| 136 | A | 91.3 | Very high | 93.9 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 12% | 0.124 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -105.7 | 4.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A114 D134 H162 | A114-A136 HydrophobicContact CB-CB 3.67Å; D134-A136 PolarHBondContact O-N 3.46Å; D134-A136 WeakPolarHBondContact OD1-CA 3.35Å; D134-A136 PolarHBondContact OD1-N 3.49Å; A136-H162 PolarHBondContact O-CE1 3.41Å |
| 137 | G | 92.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 109.1 | 5.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | D134 H162 M163 E165 F167 | D134-G137 PolarHBondContact OD1-N 2.8Å; D134-G137 VanDerWaalsContact OD1-N 3.14Å; G137-H162 CarbonylContact O-C 3.47Å; G137-M163 PolarHBondContact O-N 3.46Å; G137-E165 VanDerWaalsContact CA-O 3.29Å; G137-E165 WeakPolarHBondContact CA-O 3.21Å; G137-F167 WeakPolarHBondContact O-CE1 3.38Å |
| 138 | Q | 94.9 | Very high | 92.2 | Very high | 59 Ų | 59 | 26.5 Ų | 26.5 | 28% | 0.276 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.4 | 174.2 | -163.3 | 176.3 | 18 | 0 | 0 | 111.3 | S133 D134 L140 S160 | S133-Q138 WeakPolarHBondContact CA-O 3.4Å; D134-Q138 HydrophobicContact CB-CB 4.3Å; D134-Q138 PolarHBondContact N-O 3.27Å; D134-Q138 WeakPolarHBondContact OD1-CB 3.39Å; D134-Q138 PolarHBondContact OD1-N 2.89Å; D134-Q138 VanDerWaalsContact OD2-CB 3.26Å; D134-Q138 WeakPolarHBondContact OD2-CB 3.35Å; Q138-L140 HydrophobicContact CG-CD2 4.3Å; Q138-L140 HydrophobicContact CG-CG 4.49Å; Q138-S160 PolarHBondContact NE2-OG 3.13Å |
| 139 | L | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.9 | 170.3 | 179.9 | 61.8 | 0 | 0 | 0 | 109.7 | F159 S160 D161 M163 F167 I169 V185 | L139-F159 HydrophobicContact CB-CE1 4.3Å; L139-F159 HydrophobicContact CD2-CE1 4.05Å; L139-F159 HydrophobicContact CG-CD1 4.49Å; L139-F159 HydrophobicContact CG-CE1 4.1Å; L139-S160 WeakPolarHBondContact O-CA 3.31Å; L139-D161 PolarHBondContact N-O 3.16Å; L139-D161 PolarHBondContact O-N 2.73Å; L139-D161 VanDerWaalsContact O-N 3.09Å; L139-M163 HydrophobicContact CB-CG 3.65Å; L139-M163 HydrophobicContact CB-SD 4.39Å; L139-M163 HydrophobicContact CD2-CG 4.34Å; L139-M163 HydrophobicContact CD2-SD 4.42Å; L139-F167 HydrophobicContact CB-CZ 3.81Å; L139-F167 HydrophobicContact CD1-CE2 4.37Å; L139-F167 HydrophobicContact CD1-CZ 4.35Å; L139-I169 HydrophobicContact CD1-CD1 4.03Å; L139-V185 HydrophobicContact CD1-CG1 4.3Å |
| 140 | L | 97.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134 | 175.6 | -58.5 | 167.8 | 0 | 0 | 0 | 109.9 | F105 F107 A131 L132 Q138 L142 V157 F159 S160 | F105-L140 HydrophobicContact CE1-CD1 3.86Å; F105-L140 HydrophobicContact CZ-CD1 3.8Å; F107-L140 HydrophobicContact CD1-CD1 3.84Å; F107-L140 HydrophobicContact CE1-CD1 3.8Å; A131-L140 CarbonylContact C-O 3.53Å; A131-L140 WeakPolarHBondContact CA-O 3.33Å; L132-L140 HydrophobicContact CB-CB 4.24Å; L132-L140 PolarHBondContact N-O 2.96Å; L132-L140 PolarHBondContact O-N 2.98Å; Q138-L140 HydrophobicContact CG-CD2 4.3Å; Q138-L140 HydrophobicContact CG-CG 4.49Å; L140-L142 HydrophobicContact CB-CD1 3.82Å; L140-V157 HydrophobicContact CD2-CG1 4.03Å; L140-F159 WeakPolarHBondContact CA-O 3.21Å; L140-S160 WeakPolarHBondContact CD2-OG 3.16Å |
| 141 | L | 97.1 | Very high | 87 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.6 | 163.2 | -54.3 | -179.8 | 0 | 0 | 0 | 109.8 | W129 A131 L158 F159 V183 V185 V211 | W129-L141 HydrophobicContact CE3-CB 4.43Å; W129-L141 HydrophobicContact CZ3-CB 4.23Å; A131-L141 HydrophobicContact CB-CD2 3.57Å; L141-L158 PolarHBondContact O-N 2.8Å; L141-F159 HydrophobicContact CB-CB 3.79Å; L141-F159 HydrophobicContact CD1-CB 4.18Å; L141-F159 HydrophobicContact CD1-CD1 4.35Å; L141-F159 HydrophobicContact CD1-CG 4.41Å; L141-F159 HydrophobicContact CG-CB 3.99Å; L141-F159 HydrophobicContact CG-CD1 3.94Å; L141-F159 HydrophobicContact CG-CG 4.3Å; L141-F159 PolarHBondContact N-O 3.25Å; L141-F159 PolarHBondContact O-N 2.82Å; L141-V183 HydrophobicContact CD1-CB 3.89Å; L141-V183 HydrophobicContact CD1-CG1 4.32Å; L141-V183 HydrophobicContact CD1-CG2 4.02Å; L141-V183 HydrophobicContact CD2-CG1 4.14Å; L141-V185 HydrophobicContact CD2-CG2 4.15Å; L141-V211 HydrophobicContact CD1-CB 3.58Å; L141-V211 HydrophobicContact CD1-CG1 3.56Å; L141-V211 HydrophobicContact CD1-CG2 4.03Å |
| 142 | L | 95.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140 | -174.2 | -52.6 | 93.1 | 0 | 0 | 0 | 111.2 | F105 W129 A130 L132 L140 W155 E156 V157 | F105-L142 HydrophobicContact CD1-CD2 4.23Å; F105-L142 HydrophobicContact CD2-CD2 3.3Å; F105-L142 HydrophobicContact CE1-CD2 4.29Å; F105-L142 HydrophobicContact CE2-CD2 3.4Å; F105-L142 HydrophobicContact CG-CD2 3.75Å; F105-L142 HydrophobicContact CZ-CD2 3.91Å; W129-L142 VanDerWaalsContact CA-O 3.31Å; W129-L142 WeakPolarHBondContact CA-O 3.33Å; A130-L142 PolarHBondContact N-O 2.93Å; A130-L142 PolarHBondContact O-N 3.24Å; L132-L142 HydrophobicContact CB-CD1 4Å; L132-L142 HydrophobicContact CD1-CD1 3.49Å; L132-L142 VanDerWaalsContact CD1-CD1 3.49Å; L132-L142 HydrophobicContact CD1-CD2 4.15Å; L132-L142 HydrophobicContact CG-CD1 3.52Å; L140-L142 HydrophobicContact CB-CD1 3.82Å; L142-W155 HydrophobicContact CB-CB 4.11Å; L142-W155 HydrophobicContact CB-CE3 4.43Å; L142-W155 HydrophobicContact CD2-CB 3.85Å; L142-W155 HydrophobicContact CD2-CE3 4.33Å; L142-E156 CarbonylContact C-O 3.11Å; L142-E156 WeakPolarHBondContact CA-O 3.43Å; L142-V157 HydrophobicContact CD2-CG2 3.8Å; L142-V157 HydrophobicContact CG-CG2 4.23Å |
| 143 | R | 93.4 | Very high | 83.6 | Confident | 122 Ų | 122 | 43.8 Ų | 43.8 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 117.8 | 165.1 | 176.5 | 168.5 | 69.8 | 171.5 | 2.1 | 108.4 | E156 L158 | R143-E156 IonicContact CZ-OE2 3.26Å; R143-E156 PolarHBondContact N-O 2.61Å; R143-E156 IonicContact NE-OE2 2.67Å; R143-E156 PolarHBondContact NE-OE2 2.87Å; R143-E156 IonicContact NH2-OE1 2.7Å; R143-E156 PolarHBondContact NH2-OE1 2.81Å; R143-E156 IonicContact NH2-OE2 3.17Å; R143-E156 PolarHBondContact NH2-OE2 3.07Å; R143-E156 PolarHBondContact O-N 2.86Å; R143-L158 HydrophobicContact CB-CD1 3.6Å; R143-L158 HydrophobicContact CB-CG 4.33Å |
| 144 | T | 92.7 | Very high | 83 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | trans | -92.3 | -17.2 | -177.6 | 69.3 | 0 | 0 | 0 | 0 | 113 | T128 A130 R147 W155 | T128-T144 WeakPolarHBondContact CA-OG1 3.02Å; T128-T144 PolarHBondContact O-N 2.9Å; T128-T144 PolarHBondContact O-OG1 2.92Å; A130-T144 HydrophobicContact CB-CG2 3.74Å; T144-R147 PolarHBondContact OG1-NH1 3.42Å; T144-W155 HydrophobicContact CG2-CD2 3.57Å; T144-W155 VanDerWaalsContact CG2-CE2 3.42Å; T144-W155 HydrophobicContact CG2-CE3 3.99Å; T144-W155 HydrophobicContact CG2-CG 3.96Å; T144-W155 HydrophobicContact CG2-CH2 4.1Å; T144-W155 HydrophobicContact CG2-CZ2 3.72Å; T144-W155 HydrophobicContact CG2-CZ3 4.24Å | ||
| 145 | G | 86.4 | Confident | 83 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 32% | 0.32 | 28% | 0.278 | S | S | . | . | trans | 66.6 | -169.3 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T128 R147 | T128-G145 WeakPolarHBondContact CA-O 3.35Å; G145-R147 PolarHBondContact O-N 2.8Å | ||
| 146 | R | 84 | Confident | 83.1 | Confident | 175 Ų | 175 | 57.9 Ų | 57.9 | 66% | 0.66 | 30% | 0.297 | S | S | * | . | trans | -79.7 | 109.1 | 177 | -67.2 | -178.6 | -179.3 | -175.2 | -0.8 | 109.5 | T128 G148 D149 | T128-R146 HydrophobicContact CG2-CG 4.3Å; R146-G148 PolarHBondContact O-N 2.87Å; R146-D149 WeakPolarHBondContact CD-OD2 3.34Å | ||
| 147 | R | 85.8 | Confident | 83.2 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -21.1 | -169 | -65.1 | -179.2 | -64.9 | -99.1 | 3.9 | 115.2 | D71 W73 Y74 S126 A127 W129 T144 G145 | D71-R147 IonicContact OD1-CZ 3.17Å; D71-R147 IonicContact OD1-NE 2.59Å; D71-R147 IonicContact OD1-NH2 3.08Å; D71-R147 PolarHBondContact OD1-NH2 2.87Å; D71-R147 VanDerWaalsContact OD1-NH2 3.14Å; D71-R147 IonicContact OD2-CZ 2.94Å; D71-R147 IonicContact OD2-NE 3.49Å; D71-R147 PolarHBondContact OD2-NE 2.89Å; D71-R147 IonicContact OD2-NH2 2.75Å; D71-R147 PolarHBondContact OD2-NH2 3.44Å; W73-R147 VanDerWaalsContact CE3-NH2 3.31Å; Y74-R147 HydrophobicContact CD2-CB 4.06Å; Y74-R147 HydrophobicContact CE2-CB 3.99Å; S126-R147 PolarHBondContact O-NH1 3.14Å; S126-R147 PolarHBondContact O-NH2 2.83Å; A127-R147 PolarHBondContact O-NH1 2.82Å; W129-R147 PolarHBondContact O-NH1 3.35Å; T144-R147 PolarHBondContact OG1-NH1 3.42Å; G145-R147 PolarHBondContact O-N 2.8Å |
| 148 | G | 67.4 | Low | 83.3 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y74 R146 G150 | Y74-G148 VanDerWaalsContact CZ-N 3.28Å; R146-G148 PolarHBondContact O-N 2.87Å; G148-G150 PolarHBondContact O-N 3.17Å; G148-G150 VanDerWaalsContact O-N 3.14Å |
| 149 | D | 61.8 | Low | 83.3 | Confident | 108 Ų | 108 | 60 Ų | 60 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -79.5 | 12.2 | -176 | -76.8 | -19.1 | 0 | 0 | 0 | 113.4 | R146 D151 | R146-D149 WeakPolarHBondContact CD-OD2 3.34Å; D149-D151 PolarHBondContact O-N 3.39Å |
| 150 | G | 57.6 | Low | 83.2 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 71.9 | -16.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G148 H152 | G148-G150 PolarHBondContact O-N 3.17Å; G148-G150 VanDerWaalsContact O-N 3.14Å; G150-H152 PolarHBondContact O-CD2 3.22Å; G150-H152 VanDerWaalsContact O-CD2 3.29Å; G150-H152 PolarHBondContact O-N 3.31Å; G150-H152 VanDerWaalsContact O-N 3.12Å |
| 151 | D | 55.6 | Low | 83.1 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 67% | 0.674 | 35% | 0.347 | S | S | * | . | trans | -74 | 92.9 | 167.5 | -90 | -15.5 | 0 | 0 | 0 | 109.6 | D149 C153 | D149-D151 PolarHBondContact O-N 3.39Å; D151-C153 PolarHBondContact O-N 3.26Å | ||
| 152 | H | 59.6 | Low | 83 | Confident | 75 Ų | 75 | 71.8 Ų | 71.8 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | trans | -73.2 | 81.4 | 170.2 | -58.7 | -76.1 | 0 | 0 | 0 | 109.4 | K102 G150 | K102-H152 WeakPolarHBondContact CD-CD2 3.42Å; K102-H152 VanDerWaalsContact CD-NE2 3.32Å; K102-H152 WeakPolarHBondContact CD-NE2 3.29Å; K102-H152 PolarHBondContact NZ-CD2 2.84Å; K102-H152 PolarHBondContact NZ-NE2 3.05Å; G150-H152 PolarHBondContact O-CD2 3.22Å; G150-H152 VanDerWaalsContact O-CD2 3.29Å; G150-H152 PolarHBondContact O-N 3.31Å; G150-H152 VanDerWaalsContact O-N 3.12Å | ||
| 153 | C | 65.8 | Low | 82.8 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 49% | 0.493 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 133.9 | 169.4 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | D151 W155 | D151-C153 PolarHBondContact O-N 3.26Å; C153-W155 PolarHBondContact O-N 2.83Å |
| 154 | R | 82.8 | Confident | 82.7 | Confident | 203 Ų | 203 | 68.7 Ų | 68.7 | 77% | 0.766 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 133.3 | 164.8 | -83.3 | -177.9 | 171.5 | 174.9 | -4.5 | 108.8 | ||
| 155 | W | 93.2 | Very high | 82.5 | Confident | 18 Ų | 18 | 73.1 Ų | 73.1 | 7% | 0.068 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -69 | 139.1 | -180 | -64.6 | -0.9 | 0 | 0 | 0 | 110.6 | L79 V87 V104 F105 L124 A130 L132 L142 T144 C153 | L79-W155 HydrophobicContact CD2-CH2 3.44Å; L79-W155 VanDerWaalsContact CD2-CH2 3.44Å; L79-W155 HydrophobicContact CD2-CZ2 3.56Å; V87-W155 HydrophobicContact CG1-CH2 4.49Å; V87-W155 HydrophobicContact CG1-CZ3 4.37Å; V104-W155 HydrophobicContact CB-CD2 4.29Å; V104-W155 HydrophobicContact CB-CG 4.42Å; V104-W155 HydrophobicContact CB-CZ2 4.4Å; V104-W155 HydrophobicContact CG2-CD2 4.12Å; V104-W155 HydrophobicContact CG2-CE3 4.48Å; V104-W155 HydrophobicContact CG2-CH2 4.27Å; V104-W155 HydrophobicContact CG2-CZ2 3.85Å; V104-W155 PolarHBondContact O-N 3.3Å; F105-W155 HydrophobicContact CB-CB 4.42Å; F105-W155 HydrophobicContact CB-CE3 4.23Å; L124-W155 HydrophobicContact CD2-CH2 4.11Å; A130-W155 HydrophobicContact CB-CE3 4.18Å; A130-W155 HydrophobicContact CB-CH2 3.92Å; A130-W155 HydrophobicContact CB-CZ3 3.59Å; L132-W155 HydrophobicContact CD1-CE3 4.4Å; L132-W155 HydrophobicContact CD1-CZ3 4.36Å; L132-W155 HydrophobicContact CD2-CZ3 4.34Å; L142-W155 HydrophobicContact CB-CB 4.11Å; L142-W155 HydrophobicContact CB-CE3 4.43Å; L142-W155 HydrophobicContact CD2-CB 3.85Å; L142-W155 HydrophobicContact CD2-CE3 4.33Å; T144-W155 HydrophobicContact CG2-CD2 3.57Å; T144-W155 VanDerWaalsContact CG2-CE2 3.42Å; T144-W155 HydrophobicContact CG2-CE3 3.99Å; T144-W155 HydrophobicContact CG2-CG 3.96Å; T144-W155 HydrophobicContact CG2-CH2 4.1Å; T144-W155 HydrophobicContact CG2-CZ2 3.72Å; T144-W155 HydrophobicContact CG2-CZ3 4.24Å; C153-W155 PolarHBondContact O-N 2.83Å |
| 156 | E | 92.9 | Very high | 82.8 | Confident | 84 Ų | 84 | 73.3 Ų | 73.3 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.3 | -177.2 | -179.8 | -172.3 | -176.7 | 0 | 0 | 110.2 | L142 R143 L158 | L142-E156 CarbonylContact C-O 3.11Å; L142-E156 WeakPolarHBondContact CA-O 3.43Å; R143-E156 IonicContact CZ-OE2 3.26Å; R143-E156 PolarHBondContact N-O 2.61Å; R143-E156 IonicContact NE-OE2 2.67Å; R143-E156 PolarHBondContact NE-OE2 2.87Å; R143-E156 IonicContact NH2-OE1 2.7Å; R143-E156 PolarHBondContact NH2-OE1 2.81Å; R143-E156 IonicContact NH2-OE2 3.17Å; R143-E156 PolarHBondContact NH2-OE2 3.07Å; R143-E156 PolarHBondContact O-N 2.86Å; E156-L158 HydrophobicContact CG-CD2 4.2Å; E156-L158 HydrophobicContact CG-CG 4.5Å; E156-L158 PolarHBondContact O-N 2.84Å |
| 157 | V | 94.3 | Very high | 83.3 | Confident | 62 Ų | 62 | 65 Ų | 65 | 38% | 0.376 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 119.9 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | F105 L140 L142 F159 | F105-V157 HydrophobicContact CE2-CG2 3.56Å; F105-V157 HydrophobicContact CZ-CG2 4.03Å; L140-V157 HydrophobicContact CD2-CG1 4.03Å; L142-V157 HydrophobicContact CD2-CG2 3.8Å; L142-V157 HydrophobicContact CG-CG2 4.23Å; V157-F159 WeakPolarHBondContact CG1-O 3.5Å |
| 158 | L | 94.4 | Very high | 83.7 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -16.4 | 177.8 | -67.1 | 177.8 | 0 | 0 | 0 | 113 | W129 L141 R143 E156 Y223 | W129-L158 HydrophobicContact CH2-CB 4.11Å; W129-L158 HydrophobicContact CH2-CD1 3.22Å; W129-L158 HydrophobicContact CH2-CG 4.28Å; W129-L158 HydrophobicContact CZ2-CD1 3.75Å; W129-L158 HydrophobicContact CZ3-CB 4.18Å; W129-L158 HydrophobicContact CZ3-CD1 3.86Å; L141-L158 PolarHBondContact O-N 2.8Å; R143-L158 HydrophobicContact CB-CD1 3.6Å; R143-L158 HydrophobicContact CB-CG 4.33Å; E156-L158 HydrophobicContact CG-CD2 4.2Å; E156-L158 HydrophobicContact CG-CG 4.5Å; E156-L158 PolarHBondContact O-N 2.84Å; L158-Y223 HydrophobicContact CB-CD2 3.94Å; L158-Y223 HydrophobicContact CB-CE2 4.18Å; L158-Y223 HydrophobicContact CD1-CE2 4.29Å |
| 159 | F | 95.4 | Very high | 85.1 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.3 | 172.1 | 177.2 | -100.5 | 0 | 0 | 0 | 109.1 | L139 L140 L141 V157 D161 V211 Y223 V225 | L139-F159 HydrophobicContact CB-CE1 4.3Å; L139-F159 HydrophobicContact CD2-CE1 4.05Å; L139-F159 HydrophobicContact CG-CD1 4.49Å; L139-F159 HydrophobicContact CG-CE1 4.1Å; L140-F159 WeakPolarHBondContact CA-O 3.21Å; L141-F159 HydrophobicContact CB-CB 3.79Å; L141-F159 HydrophobicContact CD1-CB 4.18Å; L141-F159 HydrophobicContact CD1-CD1 4.35Å; L141-F159 HydrophobicContact CD1-CG 4.41Å; L141-F159 HydrophobicContact CG-CB 3.99Å; L141-F159 HydrophobicContact CG-CD1 3.94Å; L141-F159 HydrophobicContact CG-CG 4.3Å; L141-F159 PolarHBondContact N-O 3.25Å; L141-F159 PolarHBondContact O-N 2.82Å; V157-F159 WeakPolarHBondContact CG1-O 3.5Å; F159-D161 HydrophobicContact CE1-CB 3.76Å; F159-D161 HydrophobicContact CE2-CB 3.91Å; F159-D161 HydrophobicContact CZ-CB 3.28Å; F159-V211 HydrophobicContact CB-CG1 4.43Å; F159-V211 HydrophobicContact CD1-CG1 4.27Å; F159-V211 HydrophobicContact CD2-CG1 3.69Å; F159-V211 HydrophobicContact CE1-CG1 4.47Å; F159-V211 HydrophobicContact CE1-CG2 4.19Å; F159-V211 HydrophobicContact CE2-CG1 3.93Å; F159-V211 HydrophobicContact CG-CG1 3.86Å; F159-V211 HydrophobicContact CZ-CG1 4.29Å; F159-V211 HydrophobicContact CZ-CG2 4.23Å; F159-Y223 WeakPolarHBondContact CD2-O 3.34Å; F159-V225 HydrophobicContact CE2-CG2 4.13Å; F159-V225 HydrophobicContact CZ-CG2 3.68Å |
| 160 | S | 95.3 | Very high | 86.7 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 118.4 | 171.9 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | Q138 L139 L140 | Q138-S160 PolarHBondContact NE2-OG 3.13Å; L139-S160 WeakPolarHBondContact O-CA 3.31Å; L140-S160 WeakPolarHBondContact CD2-OG 3.16Å |
| 161 | D | 94.7 | Very high | 88.6 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 151.4 | 177.3 | -160.9 | 8.7 | 0 | 0 | 0 | 110.9 | L139 F159 M163 | L139-D161 PolarHBondContact N-O 3.16Å; L139-D161 PolarHBondContact O-N 2.73Å; L139-D161 VanDerWaalsContact O-N 3.09Å; F159-D161 HydrophobicContact CE1-CB 3.76Å; F159-D161 HydrophobicContact CE2-CB 3.91Å; F159-D161 HydrophobicContact CZ-CB 3.28Å; D161-M163 HydrophobicContact CB-SD 4.41Å |
| 162 | H | 94.1 | Very high | 90.6 | Very high | 119 Ų | 119 | 54.6 Ų | 54.6 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110.6 | 178.8 | -168.9 | 77 | 0 | 0 | 0 | 109.4 | A136 G137 G164 | A136-H162 PolarHBondContact O-CE1 3.41Å; G137-H162 CarbonylContact O-C 3.47Å; H162-G164 PolarHBondContact CE1-O 2.68Å; H162-G164 PolarHBondContact NE2-O 3.01Å; H162-G164 VanDerWaalsContact NE2-O 3.08Å; H162-G164 PolarHBondContact O-N 3.18Å |
| 163 | M | 92 | Very high | 92.4 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | trans | -86.3 | 15.7 | -174.1 | -53.2 | -60 | -60.9 | 0 | 0 | 112.7 | G137 L139 D161 F167 L187 R189 V209 | G137-M163 PolarHBondContact O-N 3.46Å; L139-M163 HydrophobicContact CB-CG 3.65Å; L139-M163 HydrophobicContact CB-SD 4.39Å; L139-M163 HydrophobicContact CD2-CG 4.34Å; L139-M163 HydrophobicContact CD2-SD 4.42Å; D161-M163 HydrophobicContact CB-SD 4.41Å; M163-F167 HydrophobicContact CB-CD1 4.27Å; M163-F167 HydrophobicContact CB-CE1 3.75Å; M163-F167 HydrophobicContact CG-CE1 4.01Å; M163-F167 HydrophobicContact CG-CZ 4.36Å; M163-L187 HydrophobicContact CB-CD1 4.49Å; M163-L187 HydrophobicContact CG-CD1 4.38Å; M163-R189 PolarHBondContact O-NH2 3.12Å; M163-V209 HydrophobicContact CE-CG1 4.11Å; M163-V209 HydrophobicContact CE-CG2 3.84Å | ||
| 164 | G | 90 | Very high | 93.8 | Very high | 37 Ų | 37 | 50 Ų | 50 | 38% | 0.381 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 90.1 | -124.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H162 | H162-G164 PolarHBondContact CE1-O 2.68Å; H162-G164 PolarHBondContact NE2-O 3.01Å; H162-G164 VanDerWaalsContact NE2-O 3.08Å; H162-G164 PolarHBondContact O-N 3.18Å |
| 165 | E | 90.1 | Very high | 94.3 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -62.8 | 167.6 | -174.6 | -70.9 | -175.5 | 175.2 | 0 | 0 | 113.3 | G137 R189 Q191 | G137-E165 VanDerWaalsContact CA-O 3.29Å; G137-E165 WeakPolarHBondContact CA-O 3.21Å; E165-R189 PolarHBondContact O-NH1 2.99Å; E165-Q191 VanDerWaalsContact OE2-CG 3.3Å; E165-Q191 WeakPolarHBondContact OE2-CG 3.37Å; E165-Q191 PolarHBondContact OE2-NE2 3.36Å |
| 166 | P | 92.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 22% | 0.221 | 25% | 0.254 | C | S | . | . | trans | -55.1 | 143.2 | 169.2 | -29.8 | 39 | 0 | 0 | 0 | 113.4 | D116 L118 G135 | D116-P166 VanDerWaalsContact O-CG 3.31Å; D116-P166 WeakPolarHBondContact O-CG 3.47Å; L118-P166 HydrophobicContact CD1-CB 4Å; L118-P166 HydrophobicContact CG-CB 3.74Å; G135-P166 WeakPolarHBondContact O-CB 3.27Å | ||
| 167 | F | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -151.2 | 157.3 | 177.4 | 65.3 | -96 | 0 | 0 | 0 | 113 | L118 S133 G137 L139 M163 I169 L187 L188 R189 | L118-F167 VanDerWaalsContact CD1-C 3.46Å; S133-F167 VanDerWaalsContact CB-CE2 3.5Å; S133-F167 WeakPolarHBondContact OG-CE2 3.27Å; S133-F167 PolarHBondContact OG-O 3.05Å; G137-F167 WeakPolarHBondContact O-CE1 3.38Å; L139-F167 HydrophobicContact CB-CZ 3.81Å; L139-F167 HydrophobicContact CD1-CE2 4.37Å; L139-F167 HydrophobicContact CD1-CZ 4.35Å; M163-F167 HydrophobicContact CB-CD1 4.27Å; M163-F167 HydrophobicContact CB-CE1 3.75Å; M163-F167 HydrophobicContact CG-CE1 4.01Å; M163-F167 HydrophobicContact CG-CZ 4.36Å; F167-I169 HydrophobicContact CD2-CG1 4.39Å; F167-I169 HydrophobicContact CE2-CG1 4.01Å; F167-L187 HydrophobicContact CB-CB 4.2Å; F167-L187 HydrophobicContact CD1-CD1 4.26Å; F167-L187 HydrophobicContact CD2-CB 3.89Å; F167-L187 HydrophobicContact CD2-CD1 3.98Å; F167-L187 HydrophobicContact CD2-CD2 3.68Å; F167-L187 HydrophobicContact CD2-CG 4.06Å; F167-L187 HydrophobicContact CE1-CD1 4.31Å; F167-L187 HydrophobicContact CE2-CD1 4.04Å; F167-L187 HydrophobicContact CE2-CD2 3.62Å; F167-L187 HydrophobicContact CE2-CG 4.3Å; F167-L187 HydrophobicContact CG-CB 4.12Å; F167-L187 HydrophobicContact CG-CD1 4.12Å; F167-L187 HydrophobicContact CZ-CD1 4.23Å; F167-L187 HydrophobicContact CZ-CD2 4.45Å; F167-L188 VanDerWaalsContact CA-O 3.31Å; F167-L188 WeakPolarHBondContact CA-O 3.45Å; F167-L188 WeakPolarHBondContact CB-O 3.28Å; F167-R189 HydrophobicContact CB-CG 3.8Å | ||
| 168 | T | 94.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.5 | 172 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | F65 L170 L187 L188 | F65-T168 HydrophobicContact CD2-CG2 3.93Å; F65-T168 HydrophobicContact CE2-CG2 3.57Å; T168-L170 PolarHBondContact O-N 2.9Å; T168-L187 CarbonylContact O-C 3.51Å; T168-L187 WeakPolarHBondContact O-CA 3.43Å; T168-L188 PolarHBondContact N-O 3.2Å; T168-L188 PolarHBondContact O-N 3.12Å |
| 169 | I | 97.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.5 | 173.1 | -58 | 171.1 | 0 | 0 | 0 | 108.8 | S121 A131 L139 F167 V185 L187 | S121-I169 PolarHBondContact OG-N 2.93Å; A131-I169 HydrophobicContact CB-CD1 4.01Å; L139-I169 HydrophobicContact CD1-CD1 4.03Å; F167-I169 HydrophobicContact CD2-CG1 4.39Å; F167-I169 HydrophobicContact CE2-CG1 4.01Å; I169-V185 HydrophobicContact CD1-CG1 4.44Å; I169-V185 HydrophobicContact CG1-CG1 4.28Å; I169-V185 HydrophobicContact CG2-CG1 3.78Å; I169-L187 HydrophobicContact CG1-CD2 3.98Å |
| 170 | L | 95.5 | Very high | 92.4 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -42.3 | 176.3 | -67.1 | -172.3 | 0 | 0 | 0 | 112.6 | T168 L186 L188 L206 P237 A240 | T168-L170 PolarHBondContact O-N 2.9Å; L170-L186 HydrophobicContact CB-CD2 4.35Å; L170-L186 PolarHBondContact N-O 2.88Å; L170-L188 HydrophobicContact CD1-CB 3.81Å; L170-L188 HydrophobicContact CD1-CD2 4.38Å; L170-L188 HydrophobicContact CD1-CG 4.47Å; L170-L188 HydrophobicContact CD2-CB 3.96Å; L170-L188 HydrophobicContact CD2-CD2 3.9Å; L170-L188 HydrophobicContact CG-CB 3.68Å; L170-L188 HydrophobicContact CG-CD2 4.45Å; L170-L206 HydrophobicContact CD1-CD2 3.68Å; L170-P237 HydrophobicContact CD1-CG 4.04Å; L170-A240 HydrophobicContact CD1-CB 3.83Å |
| 171 | H | 97 | Very high | 92.3 | Very high | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.125 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 153.1 | -176.7 | -172.4 | -99.7 | 0 | 0 | 0 | 110.3 | L186 V242 | H171-L186 HydrophobicContact CB-CB 4.5Å; H171-L186 PolarHBondContact O-N 3.09Å; H171-V242 PolarHBondContact CE1-O 2.95Å; H171-V242 PolarHBondContact ND1-N 2.91Å |
| 172 | S | 97.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 151.9 | 172.7 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | S123 T125 E184 | S123-S172 VanDerWaalsContact CB-OG 3.25Å; S123-S172 WeakPolarHBondContact CB-OG 3.39Å; S123-S172 WeakPolarHBondContact OG-CB 3.11Å; S123-S172 PolarHBondContact OG-N 2.79Å; S123-S172 PolarHBondContact OG-OG 2.89Å; T125-S172 WeakPolarHBondContact CG2-OG 3.35Å; S172-E184 CarbonylContact C-O 3.58Å; S172-E184 WeakPolarHBondContact CA-O 3.17Å; S172-E184 VanDerWaalsContact CB-O 3.29Å; S172-E184 WeakPolarHBondContact CB-O 3.34Å |
| 173 | V | 96.8 | Very high | 92.5 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 131.9 | 177.7 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | E184 V242 | V173-E184 HydrophobicContact CG1-CB 3.83Å; V173-E184 HydrophobicContact CG1-CG 4.16Å; V173-E184 PolarHBondContact N-O 2.84Å; V173-E184 PolarHBondContact O-N 2.9Å; V173-V242 HydrophobicContact CG1-CB 4.22Å; V173-V242 HydrophobicContact CG1-CG1 4.08Å |
| 174 | S | 95.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 143.5 | 172.8 | 159.6 | 0 | 0 | 0 | 0 | 110.8 | T125 H181 S182 | T125-S174 WeakPolarHBondContact O-CB 3.5Å; T125-S174 PolarHBondContact O-N 2.87Å; S174-H181 PolarHBondContact OG-CD2 2.7Å; S174-H181 VanDerWaalsContact OG-CD2 3.31Å; S174-H181 PolarHBondContact OG-NE2 3.31Å; S174-S182 WeakPolarHBondContact CA-O 3.43Å |
| 175 | H | 93.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 9% | 0.093 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 163.8 | 173.8 | 62.3 | -85.1 | 0 | 0 | 0 | 111.2 | S182 E184 R245 | H175-S182 PolarHBondContact N-O 3.08Å; H175-S182 PolarHBondContact O-N 3.32Å; H175-S182 VanDerWaalsContact O-O 3.09Å; H175-E184 IonicContact CE1-OE1 3.71Å; H175-E184 PolarHBondContact CE1-OE1 2.7Å; H175-E184 VanDerWaalsContact CE1-OE1 3.32Å; H175-R245 HydrophobicContact CB-CB 4.45Å; H175-R245 HydrophobicContact CB-CG 4.3Å |
| 176 | V | 91.8 | Very high | 93.5 | Very high | 104 Ų | 104 | 34.3 Ų | 34.3 | 63% | 0.63 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.3 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | C180 H181 | V176-C180 WeakPolarHBondContact CA-O 3.34Å; V176-H181 HydrophobicContact CG2-CB 4.3Å |
| 177 | Q | 85.1 | Confident | 93.8 | Very high | 135 Ų | 135 | 32.7 Ų | 32.7 | 63% | 0.631 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.1 | 178.2 | -164.8 | 179 | 24.2 | 0 | 0 | 109.3 | G179 C180 | Q177-G179 PolarHBondContact O-N 2.64Å; Q177-G179 VanDerWaalsContact O-N 3.17Å; Q177-C180 PolarHBondContact N-O 2.79Å; Q177-C180 PolarHBondContact O-N 2.88Å |
| 178 | G | 82.1 | Confident | 93.9 | Very high | 90 Ų | 90 | 33.1 Ų | 33.1 | 93% | 0.928 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 27.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | C180 | G178-C180 PolarHBondContact O-N 2.9Š|
| 179 | G | 83.6 | Confident | 93.8 | Very high | 76 Ų | 76 | 32.8 Ų | 32.8 | 78% | 0.784 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -0.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q177 | Q177-G179 PolarHBondContact O-N 2.64Å; Q177-G179 VanDerWaalsContact O-N 3.17Å |
| 180 | C | 87.3 | Confident | 93.5 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.2 | 174.2 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | V176 Q177 G178 G213 | V176-C180 WeakPolarHBondContact CA-O 3.34Å; Q177-C180 PolarHBondContact N-O 2.79Å; Q177-C180 PolarHBondContact O-N 2.88Å; G178-C180 PolarHBondContact O-N 2.9Å; C180-G213 PolarHBondContact SG-O 3.04Å |
| 181 | H | 93.1 | Very high | 93 | Very high | 29 Ų | 29 | 32 Ų | 32 | 13% | 0.134 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.7 | 170.7 | 173.6 | -107.1 | 0 | 0 | 0 | 109.7 | W129 S174 V176 V183 G213 Y223 | W129-H181 AromaticContact CD2-CE1 3.55Å; W129-H181 AromaticContact CE2-CE1 3.32Å; W129-H181 AromaticContact CE2-ND1 3.91Å; W129-H181 AromaticContact CE2-NE2 3.88Å; W129-H181 AromaticContact CE3-CE1 3.9Å; W129-H181 AromaticContact CH2-CE1 3.83Å; W129-H181 AromaticContact CH2-ND1 3.93Å; W129-H181 AromaticContact CZ2-CE1 3.5Å; W129-H181 VanDerWaalsContact CZ2-CE1 3.5Å; W129-H181 WeakPolarHBondContact CZ2-CE1 3.38Å; W129-H181 AromaticContact CZ2-ND1 3.63Å; W129-H181 AromaticContact NE1-CE1 3.73Å; W129-H181 AromaticContact NE1-NE2 3.82Å; S174-H181 PolarHBondContact OG-CD2 2.7Å; S174-H181 VanDerWaalsContact OG-CD2 3.31Å; S174-H181 PolarHBondContact OG-NE2 3.31Å; V176-H181 HydrophobicContact CG2-CB 4.3Å; H181-V183 VanDerWaalsContact CE1-CG2 3.43Å; H181-V183 WeakPolarHBondContact CE1-CG2 3.37Å; H181-G213 PolarHBondContact O-N 3.46Å; H181-Y223 AromaticContact ND1-CE1 3.34Å; H181-Y223 VanDerWaalsContact ND1-CE1 3.34Å; H181-Y223 WeakPolarHBondContact ND1-CE1 3.44Å; H181-Y223 AromaticContact ND1-CZ 3.51Å; H181-Y223 PolarHBondContact ND1-OH 2.74Å |
| 182 | S | 95.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.6 | 179.2 | -63.8 | 0 | 0 | 0 | 0 | 110 | S174 H175 V211 | S174-S182 WeakPolarHBondContact CA-O 3.43Å; H175-S182 PolarHBondContact N-O 3.08Å; H175-S182 PolarHBondContact O-N 3.32Å; H175-S182 VanDerWaalsContact O-O 3.09Å; S182-V211 CarbonylContact C-O 3.46Å; S182-V211 WeakPolarHBondContact CA-O 3.23Å |
| 183 | V | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.9 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 108 | T125 L141 H181 V185 V211 | T125-V183 HydrophobicContact CG2-CG1 3.51Å; L141-V183 HydrophobicContact CD1-CB 3.89Å; L141-V183 HydrophobicContact CD1-CG1 4.32Å; L141-V183 HydrophobicContact CD1-CG2 4.02Å; L141-V183 HydrophobicContact CD2-CG1 4.14Å; H181-V183 VanDerWaalsContact CE1-CG2 3.43Å; H181-V183 WeakPolarHBondContact CE1-CG2 3.37Å; V183-V185 HydrophobicContact CG1-CG2 3.86Å; V183-V211 PolarHBondContact N-O 3.04Å; V183-V211 PolarHBondContact O-N 2.86Å |
| 184 | E | 97.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 131.3 | 169.5 | -56.2 | -62 | 153 | 0 | 0 | 108.6 | S172 V173 H175 W208 V209 T210 R229 V242 | S172-E184 CarbonylContact C-O 3.58Å; S172-E184 WeakPolarHBondContact CA-O 3.17Å; S172-E184 VanDerWaalsContact CB-O 3.29Å; S172-E184 WeakPolarHBondContact CB-O 3.34Å; V173-E184 HydrophobicContact CG1-CB 3.83Å; V173-E184 HydrophobicContact CG1-CG 4.16Å; V173-E184 PolarHBondContact N-O 2.84Å; V173-E184 PolarHBondContact O-N 2.9Å; H175-E184 IonicContact CE1-OE1 3.71Å; H175-E184 PolarHBondContact CE1-OE1 2.7Å; H175-E184 VanDerWaalsContact CE1-OE1 3.32Å; E184-W208 PolarHBondContact OE2-NE1 3.32Å; E184-V209 CarbonylContact C-O 3.6Å; E184-V209 WeakPolarHBondContact CA-O 3.39Å; E184-T210 VanDerWaalsContact CD-OG1 3.24Å; E184-T210 WeakPolarHBondContact OE1-CG2 3.17Å; E184-T210 PolarHBondContact OE1-OG1 2.8Å; E184-T210 VanDerWaalsContact OE1-OG1 3.08Å; E184-T210 PolarHBondContact OE2-OG1 2.96Å; E184-R229 IonicContact OE2-NH2 2.64Å; E184-R229 PolarHBondContact OE2-NH2 3.1Å; E184-V242 HydrophobicContact CB-CG1 3.91Å; E184-V242 HydrophobicContact CG-CG1 4.18Å |
| 185 | V | 98.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.3 | 178.3 | -164.3 | 0 | 0 | 0 | 0 | 108.8 | A131 L139 L141 I169 V183 L187 V209 | A131-V185 HydrophobicContact CB-CG1 4.35Å; A131-V185 HydrophobicContact CB-CG2 4.31Å; L139-V185 HydrophobicContact CD1-CG1 4.3Å; L141-V185 HydrophobicContact CD2-CG2 4.15Å; I169-V185 HydrophobicContact CD1-CG1 4.44Å; I169-V185 HydrophobicContact CG1-CG1 4.28Å; I169-V185 HydrophobicContact CG2-CG1 3.78Å; V183-V185 HydrophobicContact CG1-CG2 3.86Å; V185-L187 HydrophobicContact CB-CD2 4.3Å; V185-L187 HydrophobicContact CG1-CD2 3.52Å; V185-V209 PolarHBondContact N-O 3.07Å; V185-V209 PolarHBondContact O-N 2.92Å |
| 186 | L | 98.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.5 | 176.8 | -171.8 | 67.6 | 0 | 0 | 0 | 109.9 | L170 H171 L206 W208 A240 V242 L249 | L170-L186 HydrophobicContact CB-CD2 4.35Å; L170-L186 PolarHBondContact N-O 2.88Å; H171-L186 HydrophobicContact CB-CB 4.5Å; H171-L186 PolarHBondContact O-N 3.09Å; L186-L206 HydrophobicContact CD1-CB 4.27Å; L186-W208 HydrophobicContact CD1-CB 4.01Å; L186-A240 HydrophobicContact CD2-CB 3.6Å; L186-V242 HydrophobicContact CB-CG2 4.06Å; L186-L249 HydrophobicContact CD1-CD1 4.09Å; L186-L249 HydrophobicContact CD2-CD1 3.71Å |
| 187 | L | 97.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.3 | -177.2 | -40.2 | -179.6 | 0 | 0 | 0 | 110.1 | M163 F167 T168 I169 V185 L206 E207 V209 | M163-L187 HydrophobicContact CB-CD1 4.49Å; M163-L187 HydrophobicContact CG-CD1 4.38Å; F167-L187 HydrophobicContact CB-CB 4.2Å; F167-L187 HydrophobicContact CD1-CD1 4.26Å; F167-L187 HydrophobicContact CD2-CB 3.89Å; F167-L187 HydrophobicContact CD2-CD1 3.98Å; F167-L187 HydrophobicContact CD2-CD2 3.68Å; F167-L187 HydrophobicContact CD2-CG 4.06Å; F167-L187 HydrophobicContact CE1-CD1 4.31Å; F167-L187 HydrophobicContact CE2-CD1 4.04Å; F167-L187 HydrophobicContact CE2-CD2 3.62Å; F167-L187 HydrophobicContact CE2-CG 4.3Å; F167-L187 HydrophobicContact CG-CB 4.12Å; F167-L187 HydrophobicContact CG-CD1 4.12Å; F167-L187 HydrophobicContact CZ-CD1 4.23Å; F167-L187 HydrophobicContact CZ-CD2 4.45Å; T168-L187 CarbonylContact O-C 3.51Å; T168-L187 WeakPolarHBondContact O-CA 3.43Å; I169-L187 HydrophobicContact CG1-CD2 3.98Å; V185-L187 HydrophobicContact CB-CD2 4.3Å; V185-L187 HydrophobicContact CG1-CD2 3.52Å; L187-L206 CarbonylContact O-C 3.54Å; L187-L206 VanDerWaalsContact O-CA 3.28Å; L187-L206 WeakPolarHBondContact O-CA 3.36Å; L187-E207 HydrophobicContact CB-CB 4.18Å; L187-E207 HydrophobicContact CD1-CB 4.48Å; L187-E207 PolarHBondContact N-O 2.76Å; L187-E207 PolarHBondContact O-N 3.47Å; L187-V209 HydrophobicContact CD1-CG2 3.89Å; L187-V209 HydrophobicContact CG-CG2 4.27Å |
| 188 | L | 96.1 | Very high | 82.9 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.4 | 173.4 | 173.5 | 67.6 | 0 | 0 | 0 | 110.5 | A61 F167 T168 L170 V204 L206 V236 | A61-L188 HydrophobicContact CB-CD2 3.94Å; F167-L188 VanDerWaalsContact CA-O 3.31Å; F167-L188 WeakPolarHBondContact CA-O 3.45Å; F167-L188 WeakPolarHBondContact CB-O 3.28Å; T168-L188 PolarHBondContact N-O 3.2Å; T168-L188 PolarHBondContact O-N 3.12Å; L170-L188 HydrophobicContact CD1-CB 3.81Å; L170-L188 HydrophobicContact CD1-CD2 4.38Å; L170-L188 HydrophobicContact CD1-CG 4.47Å; L170-L188 HydrophobicContact CD2-CB 3.96Å; L170-L188 HydrophobicContact CD2-CD2 3.9Å; L170-L188 HydrophobicContact CG-CB 3.68Å; L170-L188 HydrophobicContact CG-CD2 4.45Å; L188-V204 HydrophobicContact CD1-CG1 3.52Å; L188-L206 HydrophobicContact CB-CD2 4.19Å; L188-L206 HydrophobicContact CD1-CD2 3.69Å; L188-V236 HydrophobicContact CD1-CG1 4.44Å; L188-V236 HydrophobicContact CD2-CG1 3.85Å |
| 189 | R | 93.5 | Very high | 82 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.5 | 174.4 | -58.1 | 168.3 | -176 | -81.5 | 3.5 | 110.2 | M163 E165 F167 Q191 V204 S205 E207 | M163-R189 PolarHBondContact O-NH2 3.12Å; E165-R189 PolarHBondContact O-NH1 2.99Å; F167-R189 HydrophobicContact CB-CG 3.8Å; R189-Q191 HydrophobicContact CB-CG 3.89Å; R189-V204 WeakPolarHBondContact O-CA 3.29Å; R189-S205 WeakPolarHBondContact CB-OG 3.11Å; R189-S205 PolarHBondContact N-O 3.13Å; R189-S205 PolarHBondContact O-N 2.85Å; R189-E207 IonicContact CZ-OE2 3.19Å; R189-E207 VanDerWaalsContact CZ-OE2 3.31Å; R189-E207 IonicContact NE-OE2 3.09Å; R189-E207 PolarHBondContact NE-OE2 2.67Å; R189-E207 IonicContact NH2-OE2 2.69Å; R189-E207 PolarHBondContact NH2-OE2 3.06Å |
| 190 | V | 90.1 | Very high | 81.2 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.5 | 167 | -175.4 | 0 | 0 | 0 | 0 | 106.3 | E57 H58 A61 Y202 V236 | E57-V190 HydrophobicContact CB-CG1 4.03Å; H58-V190 VanDerWaalsContact CE1-CG1 3.48Å; H58-V190 WeakPolarHBondContact CE1-CG1 3.01Å; A61-V190 HydrophobicContact CB-CG2 3.93Å; V190-Y202 HydrophobicContact CG1-CD1 4.26Å; V190-Y202 HydrophobicContact CG1-CG 4.49Å; V190-V236 HydrophobicContact CG2-CG2 4.42Å |
| 191 | Q | 85.4 | Confident | 80.5 | Confident | 31 Ų | 31 | 50 Ų | 50 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.2 | -168.2 | -54.2 | -176.9 | -69 | 0 | 0 | 109.9 | E165 R189 E193 Y202 S203 S205 | E165-Q191 VanDerWaalsContact OE2-CG 3.3Å; E165-Q191 WeakPolarHBondContact OE2-CG 3.37Å; E165-Q191 PolarHBondContact OE2-NE2 3.36Å; R189-Q191 HydrophobicContact CB-CG 3.89Å; Q191-E193 PolarHBondContact O-N 2.98Å; Q191-Y202 CarbonylContact O-C 3.57Å; Q191-Y202 VanDerWaalsContact O-CA 3.28Å; Q191-Y202 WeakPolarHBondContact O-CA 3.25Å; Q191-S203 PolarHBondContact N-O 3.27Å; Q191-S203 PolarHBondContact O-N 3.25Å; Q191-S205 PolarHBondContact OE1-OG 2.81Å |
| 192 | K | 81.4 | Confident | 80 | Confident | 155 Ų | 155 | 49.9 Ų | 49.9 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130.7 | 176.4 | -167.7 | 173.6 | -175.5 | 173.5 | 0 | 110.2 | P194 Y202 | K192-P194 WeakPolarHBondContact O-CD 3.49Å; K192-Y202 HydrophobicContact CB-CD1 4.05Å; K192-Y202 HydrophobicContact CB-CE1 3.79Å; K192-Y202 HydrophobicContact CG-CE1 4.15Å |
| 193 | E | 77.3 | Confident | 79.5 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | trans | -112 | 94.9 | 177.8 | -167.2 | 160 | -145.7 | 0 | 0 | 109.7 | Q191 L195 E196 G201 S203 | Q191-E193 PolarHBondContact O-N 2.98Å; E193-L195 PolarHBondContact O-N 2.91Å; E193-E196 HydrophobicContact CG-CB 4.33Å; E193-E196 PolarHBondContact O-N 2.84Å; E193-G201 PolarHBondContact N-O 3.14Å; E193-S203 WeakPolarHBondContact OE2-CB 3.38Å | ||
| 194 | P | 62.2 | Low | 79.3 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 77% | 0.766 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.4 | -169.4 | 24.9 | -32.4 | 0 | 0 | 0 | 114.7 | K192 | K192-P194 WeakPolarHBondContact O-CD 3.49Š|
| 195 | L | 62.4 | Low | 79.1 | Confident | 165 Ų | 165 | 49.3 Ų | 49.3 | 86% | 0.864 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -4.9 | -176.7 | -73.9 | 157.1 | 0 | 0 | 0 | 113.2 | E193 S197 | E193-L195 PolarHBondContact O-N 2.91Å; L195-S197 PolarHBondContact O-N 3.5Å |
| 196 | E | 56.5 | Low | 79 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | trans | -85.3 | 104.4 | -177.7 | -144.4 | -177 | -160.7 | 0 | 0 | 110.2 | E193 T198 K234 | E193-E196 HydrophobicContact CG-CB 4.33Å; E193-E196 PolarHBondContact O-N 2.84Å; E196-T198 VanDerWaalsContact C-N 3.28Å; E196-K234 IonicContact OE1-NZ 2.93Å; E196-K234 PolarHBondContact OE1-NZ 3.44Å | ||
| 197 | S | 51.9 | Low | 79 | Confident | 119 Ų | 119 | 49.8 Ų | 49.8 | 83% | 0.832 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -81.5 | -6.8 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | L195 | L195-S197 PolarHBondContact O-N 3.5Š|
| 198 | T | 53.3 | Low | 79 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 69% | 0.687 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -135.5 | 87.8 | -175.3 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | E196 | E196-T198 VanDerWaalsContact C-N 3.28Š|
| 199 | G | 63 | Low | 79.1 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 65% | 0.649 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 158.1 | -169.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G201 | G199-G201 PolarHBondContact O-N 3.43Š|
| 200 | S | 67.1 | Low | 79.2 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -73.9 | -8.3 | 174.5 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | E57 Y202 | E57-S200 PolarHBondContact OE2-OG 2.8Å; S200-Y202 VanDerWaalsContact C-N 3.3Å; S200-Y202 WeakPolarHBondContact O-CD2 3.2Å |
| 201 | G | 74.1 | Confident | 79.5 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 76.7 | 16.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E193 G199 | E193-G201 PolarHBondContact N-O 3.14Å; G199-G201 PolarHBondContact O-N 3.43Å |
| 202 | Y | 81 | Confident | 79.9 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.5 | 176.9 | -68.4 | -90.7 | 0 | 0 | 0 | 111.2 | A52 T55 H58 V190 Q191 K192 S200 | A52-Y202 PolarHBondContact O-OH 2.83Å; T55-Y202 HydrophobicContact CG2-CD2 3.44Å; T55-Y202 VanDerWaalsContact CG2-CD2 3.44Å; T55-Y202 HydrophobicContact CG2-CE2 3.44Å; T55-Y202 VanDerWaalsContact CG2-CE2 3.44Å; T55-Y202 HydrophobicContact CG2-CG 4.48Å; H58-Y202 AromaticContact CE1-CD1 3.43Å; H58-Y202 VanDerWaalsContact CE1-CD1 3.43Å; H58-Y202 WeakPolarHBondContact CE1-CD1 3.39Å; H58-Y202 AromaticContact CE1-CE1 3.42Å; H58-Y202 VanDerWaalsContact CE1-CE1 3.42Å; H58-Y202 WeakPolarHBondContact CE1-CE1 3.22Å; H58-Y202 AromaticContact CE1-CG 3.76Å; H58-Y202 AromaticContact CE1-CZ 3.71Å; H58-Y202 AromaticContact NE2-CE1 3.96Å; V190-Y202 HydrophobicContact CG1-CD1 4.26Å; V190-Y202 HydrophobicContact CG1-CG 4.49Å; Q191-Y202 CarbonylContact O-C 3.57Å; Q191-Y202 VanDerWaalsContact O-CA 3.28Å; Q191-Y202 WeakPolarHBondContact O-CA 3.25Å; K192-Y202 HydrophobicContact CB-CD1 4.05Å; K192-Y202 HydrophobicContact CB-CE1 3.79Å; K192-Y202 HydrophobicContact CG-CE1 4.15Å; S200-Y202 VanDerWaalsContact C-N 3.3Å; S200-Y202 WeakPolarHBondContact O-CD2 3.2Å |
| 203 | S | 85.6 | Confident | 80.2 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151.7 | 174.2 | 66 | 0 | 0 | 0 | 0 | 110.6 | Q191 E193 R232 | Q191-S203 PolarHBondContact N-O 3.27Å; Q191-S203 PolarHBondContact O-N 3.25Å; E193-S203 WeakPolarHBondContact OE2-CB 3.38Å; S203-R232 PolarHBondContact OG-NH1 2.95Å |
| 204 | V | 92 | Very high | 80 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.8 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | E57 L188 R189 R232 G233 V236 F257 | E57-V204 HydrophobicContact CB-CG2 4.24Å; E57-V204 HydrophobicContact CG-CG2 4.01Å; L188-V204 HydrophobicContact CD1-CG1 3.52Å; R189-V204 WeakPolarHBondContact O-CA 3.29Å; V204-R232 WeakPolarHBondContact O-CA 3.29Å; V204-G233 PolarHBondContact N-O 2.62Å; V204-G233 PolarHBondContact O-N 2.76Å; V204-V236 HydrophobicContact CG1-CG2 4.45Å; V204-V236 HydrophobicContact CG2-CG2 3.9Å; V204-F257 HydrophobicContact CB-CZ 4.43Å; V204-F257 HydrophobicContact CG1-CE1 4.15Å; V204-F257 HydrophobicContact CG1-CZ 3.91Å |
| 205 | S | 94.3 | Very high | 79.7 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140.7 | 171.9 | 64.3 | 0 | 0 | 0 | 0 | 111.7 | R189 Q191 L231 | R189-S205 WeakPolarHBondContact CB-OG 3.11Å; R189-S205 PolarHBondContact N-O 3.13Å; R189-S205 PolarHBondContact O-N 2.85Å; Q191-S205 PolarHBondContact OE1-OG 2.81Å; S205-L231 CarbonylContact C-O 3.51Å; S205-L231 VanDerWaalsContact CA-O 3.25Å; S205-L231 WeakPolarHBondContact CA-O 3.34Å |
| 206 | L | 96.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.5 | 170.9 | -63.3 | 176.4 | 0 | 0 | 0 | 108.3 | L170 L186 L187 L188 V230 L231 P237 L251 F257 | L170-L206 HydrophobicContact CD1-CD2 3.68Å; L186-L206 HydrophobicContact CD1-CB 4.27Å; L187-L206 CarbonylContact O-C 3.54Å; L187-L206 VanDerWaalsContact O-CA 3.28Å; L187-L206 WeakPolarHBondContact O-CA 3.36Å; L188-L206 HydrophobicContact CB-CD2 4.19Å; L188-L206 HydrophobicContact CD1-CD2 3.69Å; L206-V230 CarbonylContact O-C 3.58Å; L206-V230 WeakPolarHBondContact O-CA 3.49Å; L206-L231 HydrophobicContact CB-CB 4.3Å; L206-L231 HydrophobicContact CB-CD1 4.31Å; L206-L231 PolarHBondContact N-O 2.92Å; L206-L231 PolarHBondContact O-N 2.71Å; L206-P237 HydrophobicContact CD1-CG 4.14Å; L206-P237 HydrophobicContact CD2-CG 4.12Å; L206-L251 HydrophobicContact CD1-CD1 3.7Å; L206-L251 HydrophobicContact CD1-CD2 3.58Å; L206-L251 HydrophobicContact CD1-CG 4.34Å; L206-F257 HydrophobicContact CD1-CD1 3.95Å; L206-F257 HydrophobicContact CD1-CE1 3.76Å; L206-F257 HydrophobicContact CD1-CG 4.45Å; L206-F257 HydrophobicContact CD1-CZ 4.1Å; L206-F257 HydrophobicContact CG-CD1 4.19Å; L206-F257 HydrophobicContact CG-CE1 3.7Å; L206-F257 HydrophobicContact CG-CZ 4.25Å |
| 207 | E | 97 | Very high | 78.9 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111.5 | 179 | -172.6 | 178 | -172.9 | 0 | 0 | 109.2 | L187 R189 V209 R228 V230 | L187-E207 HydrophobicContact CB-CB 4.18Å; L187-E207 HydrophobicContact CD1-CB 4.48Å; L187-E207 PolarHBondContact N-O 2.76Å; L187-E207 PolarHBondContact O-N 3.47Å; R189-E207 IonicContact CZ-OE2 3.19Å; R189-E207 VanDerWaalsContact CZ-OE2 3.31Å; R189-E207 IonicContact NE-OE2 3.09Å; R189-E207 PolarHBondContact NE-OE2 2.67Å; R189-E207 IonicContact NH2-OE2 2.69Å; R189-E207 PolarHBondContact NH2-OE2 3.06Å; E207-V209 HydrophobicContact CG-CG2 3.79Å; E207-R228 HydrophobicContact CG-CG 4.11Å; E207-R228 WeakPolarHBondContact OE1-CD 3.39Å; E207-R228 VanDerWaalsContact OE1-CG 3.28Å; E207-R228 WeakPolarHBondContact OE1-CG 3.3Å; E207-V230 HydrophobicContact CG-CG2 4.24Å |
| 208 | W | 97.8 | Very high | 79 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 104.9 | 176.7 | -178.4 | 12 | 0 | 0 | 0 | 109.7 | E184 L186 R229 V242 G246 L249 L434 | E184-W208 PolarHBondContact OE2-NE1 3.32Å; L186-W208 HydrophobicContact CD1-CB 4.01Å; W208-R229 HydrophobicContact CB-CB 4.39Å; W208-R229 VanDerWaalsContact CD2-CZ 3.42Å; W208-R229 VanDerWaalsContact CE2-CZ 3.45Å; W208-R229 PolarHBondContact N-O 2.81Å; W208-R229 PolarHBondContact O-N 2.93Å; W208-V242 HydrophobicContact CZ2-CG1 3.68Å; W208-G246 WeakPolarHBondContact CH2-O 3.49Å; W208-G246 VanDerWaalsContact CZ2-O 3.3Å; W208-G246 WeakPolarHBondContact CZ2-O 3.31Å; W208-L249 HydrophobicContact CE3-CB 4.24Å; W208-L249 HydrophobicContact CZ3-CB 4.1Å; W208-L434 HydrophobicContact CZ3-CD2 4.12Å |
| 209 | V | 97.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.1 | -175.2 | -171 | 0 | 0 | 0 | 0 | 109.8 | M163 E184 V185 L187 E207 V211 V225 K227 | M163-V209 HydrophobicContact CE-CG1 4.11Å; M163-V209 HydrophobicContact CE-CG2 3.84Å; E184-V209 CarbonylContact C-O 3.6Å; E184-V209 WeakPolarHBondContact CA-O 3.39Å; V185-V209 PolarHBondContact N-O 3.07Å; V185-V209 PolarHBondContact O-N 2.92Å; L187-V209 HydrophobicContact CD1-CG2 3.89Å; L187-V209 HydrophobicContact CG-CG2 4.27Å; E207-V209 HydrophobicContact CG-CG2 3.79Å; V209-V211 HydrophobicContact CG1-CG2 3.91Å; V209-V225 HydrophobicContact CG1-CG1 3.85Å; V209-V225 HydrophobicContact CG1-CG2 4.23Å; V209-K227 WeakPolarHBondContact CA-O 3.17Å |
| 210 | T | 97.1 | Very high | 78.3 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.7 | 167.5 | -51.9 | 0 | 0 | 0 | 0 | 108.4 | E184 R226 K227 R229 | E184-T210 VanDerWaalsContact CD-OG1 3.24Å; E184-T210 WeakPolarHBondContact OE1-CG2 3.17Å; E184-T210 PolarHBondContact OE1-OG1 2.8Å; E184-T210 VanDerWaalsContact OE1-OG1 3.08Å; E184-T210 PolarHBondContact OE2-OG1 2.96Å; T210-R226 HydrophobicContact CG2-CB 4.26Å; T210-R226 PolarHBondContact O-N 2.89Å; T210-K227 PolarHBondContact N-O 3.02Å; T210-K227 PolarHBondContact O-N 2.81Å; T210-R229 PolarHBondContact OG1-NH2 3.23Å |
| 211 | V | 96.5 | Very high | 78.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.9 | 173.6 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | L141 F159 S182 V183 V209 Y223 E224 V225 | L141-V211 HydrophobicContact CD1-CB 3.58Å; L141-V211 HydrophobicContact CD1-CG1 3.56Å; L141-V211 HydrophobicContact CD1-CG2 4.03Å; F159-V211 HydrophobicContact CB-CG1 4.43Å; F159-V211 HydrophobicContact CD1-CG1 4.27Å; F159-V211 HydrophobicContact CD2-CG1 3.69Å; F159-V211 HydrophobicContact CE1-CG1 4.47Å; F159-V211 HydrophobicContact CE1-CG2 4.19Å; F159-V211 HydrophobicContact CE2-CG1 3.93Å; F159-V211 HydrophobicContact CG-CG1 3.86Å; F159-V211 HydrophobicContact CZ-CG1 4.29Å; F159-V211 HydrophobicContact CZ-CG2 4.23Å; S182-V211 CarbonylContact C-O 3.46Å; S182-V211 WeakPolarHBondContact CA-O 3.23Å; V183-V211 PolarHBondContact N-O 3.04Å; V183-V211 PolarHBondContact O-N 2.86Å; V209-V211 HydrophobicContact CG1-CG2 3.91Å; V211-Y223 HydrophobicContact CG1-CD1 4.34Å; V211-E224 WeakPolarHBondContact CA-O 3.47Å; V211-V225 HydrophobicContact CG2-CG2 4.43Å |
| 212 | G | 93.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y223 E224 | G212-Y223 WeakPolarHBondContact O-CA 3.3Å; G212-E224 PolarHBondContact N-O 3.27Å; G212-E224 PolarHBondContact O-N 3.21Å |
| 213 | G | 87.4 | Confident | 79.1 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 155.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | C180 H181 R226 | C180-G213 PolarHBondContact SG-O 3.04Å; H181-G213 PolarHBondContact O-N 3.46Å; G213-R226 PolarHBondContact O-NH2 2.8Å; G213-R226 VanDerWaalsContact O-NH2 3.12Å |
| 214 | A | 72.4 | Confident | 79.5 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | trans | -66.4 | 129.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G216 K222 | A214-G216 PolarHBondContact O-N 2.84Å; A214-K222 PolarHBondContact N-O 3.01Å | ||
| 215 | A | 56 | Low | 79.7 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 79% | 0.793 | 35% | 0.347 | S | S | * | . | trans | -83.5 | 99.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 216 | G | 56.5 | Low | 79.7 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | trans | -169.7 | 134 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A214 G218 | A214-G216 PolarHBondContact O-N 2.84Å; G216-G218 PolarHBondContact O-N 2.94Å | ||
| 217 | P | 46.5 | Very low | 79.5 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 93% | 0.929 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 119.4 | 173.1 | 26.2 | -30 | 0 | 0 | 0 | 110.3 | ||
| 218 | G | 53.5 | Low | 79.5 | Confident | 89 Ų | 89 | 73.6 Ų | 73.6 | 92% | 0.918 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.9 | 1.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | G216 | G216-G218 PolarHBondContact O-N 2.94Š|
| 219 | Q | 46.7 | Very low | 79.4 | Confident | 154 Ų | 154 | 73.9 Ų | 73.9 | 72% | 0.72 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -94.2 | 141.4 | 169.5 | -132.9 | 168.1 | 1.6 | 0 | 0 | 109.6 | K221 | Q219-K221 PolarHBondContact O-N 2.8Š|
| 220 | E | 54.1 | Low | 79.3 | Confident | 184 Ų | 184 | 74.9 Ų | 74.9 | 86% | 0.86 | 41% | 0.411 | S | S | * | . | trans | -47.9 | 134 | 169.3 | -77.9 | -179.1 | 161.5 | 0 | 0 | 109.1 | K222 | E220-K222 PolarHBondContact O-N 2.82Š| ||
| 221 | K | 64.4 | Low | 79.2 | Confident | 164 Ų | 164 | 74.6 Ų | 74.6 | 71% | 0.713 | 41% | 0.409 | S | S | * | . | trans | -67.2 | 75.9 | -176 | -70.3 | -176.6 | 178.4 | -178.5 | 0 | 110.1 | Q219 Y223 | Q219-K221 PolarHBondContact O-N 2.8Å; K221-Y223 HydrophobicContact CB-CE2 4.26Å; K221-Y223 WeakPolarHBondContact O-CD2 3.35Å; K221-Y223 PolarHBondContact O-N 2.79Å | ||
| 222 | K | 83.6 | Confident | 79 | Confident | 155 Ų | 155 | 78.2 Ų | 78.2 | 67% | 0.674 | 42% | 0.423 | S | S | * | . | trans | -73.5 | 123.5 | 172 | -168 | 175.4 | -179.7 | -177.1 | 0 | 107.8 | A214 E220 | A214-K222 PolarHBondContact N-O 3.01Å; E220-K222 PolarHBondContact O-N 2.82Å | ||
| 223 | Y | 92.1 | Very high | 78.7 | Confident | 14 Ų | 14 | 78.6 Ų | 78.6 | 6% | 0.055 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 142.1 | 172.2 | -77.3 | -93.8 | 0 | 0 | 0 | 109.2 | W129 L158 F159 H181 V211 G212 K221 | W129-Y223 HydrophobicContact CH2-CD2 4.27Å; W129-Y223 AromaticContact CH2-CE1 3.96Å; W129-Y223 HydrophobicContact CH2-CE1 3.96Å; W129-Y223 AromaticContact CH2-CE2 3.48Å; W129-Y223 HydrophobicContact CH2-CE2 3.48Å; W129-Y223 VanDerWaalsContact CH2-CE2 3.48Å; W129-Y223 AromaticContact CH2-CZ 3.29Å; W129-Y223 WeakPolarHBondContact CH2-OH 3.49Å; W129-Y223 HydrophobicContact CZ2-CE2 4.3Å; W129-Y223 AromaticContact CZ2-CZ 3.87Å; W129-Y223 VanDerWaalsContact CZ2-OH 3.27Å; W129-Y223 WeakPolarHBondContact CZ2-OH 3.3Å; W129-Y223 HydrophobicContact CZ3-CE1 4.47Å; W129-Y223 HydrophobicContact CZ3-CE2 4.34Å; L158-Y223 HydrophobicContact CB-CD2 3.94Å; L158-Y223 HydrophobicContact CB-CE2 4.18Å; L158-Y223 HydrophobicContact CD1-CE2 4.29Å; F159-Y223 WeakPolarHBondContact CD2-O 3.34Å; H181-Y223 AromaticContact ND1-CE1 3.34Å; H181-Y223 VanDerWaalsContact ND1-CE1 3.34Å; H181-Y223 WeakPolarHBondContact ND1-CE1 3.44Å; H181-Y223 AromaticContact ND1-CZ 3.51Å; H181-Y223 PolarHBondContact ND1-OH 2.74Å; V211-Y223 HydrophobicContact CG1-CD1 4.34Å; G212-Y223 WeakPolarHBondContact O-CA 3.3Å; K221-Y223 HydrophobicContact CB-CE2 4.26Å; K221-Y223 WeakPolarHBondContact O-CD2 3.35Å; K221-Y223 PolarHBondContact O-N 2.79Å |
| 224 | E | 94.1 | Very high | 78.5 | Confident | 84 Ų | 84 | 82.4 Ų | 82.4 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.9 | 177.1 | 64.8 | -169.9 | 167 | 0 | 0 | 111.1 | V211 G212 R226 | V211-E224 WeakPolarHBondContact CA-O 3.47Å; G212-E224 PolarHBondContact N-O 3.27Å; G212-E224 PolarHBondContact O-N 3.21Å; E224-R226 PolarHBondContact O-N 2.89Å; E224-R226 IonicContact OE1-CZ 3.31Å; E224-R226 IonicContact OE1-NH1 2.79Å; E224-R226 PolarHBondContact OE1-NH1 3.42Å; E224-R226 IonicContact OE1-NH2 3.56Å; E224-R226 PolarHBondContact OE1-NH2 3.49Å |
| 225 | V | 95.3 | Very high | 79.3 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 30% | 0.297 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 119.1 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | F159 V209 V211 | F159-V225 HydrophobicContact CE2-CG2 4.13Å; F159-V225 HydrophobicContact CZ-CG2 3.68Å; V209-V225 HydrophobicContact CG1-CG1 3.85Å; V209-V225 HydrophobicContact CG1-CG2 4.23Å; V211-V225 HydrophobicContact CG2-CG2 4.43Å |
| 226 | R | 93.9 | Very high | 81 | Confident | 110 Ų | 110 | 76.5 Ų | 76.5 | 42% | 0.415 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -40.3 | 179.7 | -66.2 | -66 | -176.4 | -154.8 | -12.9 | 112.8 | T210 G213 E224 | T210-R226 HydrophobicContact CG2-CB 4.26Å; T210-R226 PolarHBondContact O-N 2.89Å; G213-R226 PolarHBondContact O-NH2 2.8Å; G213-R226 VanDerWaalsContact O-NH2 3.12Å; E224-R226 PolarHBondContact O-N 2.89Å; E224-R226 IonicContact OE1-CZ 3.31Å; E224-R226 IonicContact OE1-NH1 2.79Å; E224-R226 PolarHBondContact OE1-NH1 3.42Å; E224-R226 IonicContact OE1-NH2 3.56Å; E224-R226 PolarHBondContact OE1-NH2 3.49Å |
| 227 | K | 94.8 | Very high | 82.7 | Confident | 104 Ų | 104 | 75.2 Ų | 75.2 | 45% | 0.452 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 146.5 | -179.1 | -57.9 | -179.8 | 178.4 | 178.3 | 0 | 109.7 | V209 T210 D263 | V209-K227 WeakPolarHBondContact CA-O 3.17Å; T210-K227 PolarHBondContact N-O 3.02Å; T210-K227 PolarHBondContact O-N 2.81Å; K227-D263 VanDerWaalsContact CA-OD1 3.31Å; K227-D263 WeakPolarHBondContact CA-OD1 3.47Å |
| 228 | R | 95.5 | Very high | 85 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 109.9 | 176.8 | -169.5 | 173.8 | 76.6 | 164.4 | -2.7 | 109.9 | E207 D263 | E207-R228 HydrophobicContact CG-CG 4.11Å; E207-R228 WeakPolarHBondContact OE1-CD 3.39Å; E207-R228 VanDerWaalsContact OE1-CG 3.28Å; E207-R228 WeakPolarHBondContact OE1-CG 3.3Å; R228-D263 PolarHBondContact N-OD1 3.46Å; R228-D263 PolarHBondContact O-N 2.96Å |
| 229 | R | 96.3 | Very high | 87 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.4 | -177 | -62.5 | 156.8 | -78.6 | -169.6 | -2.9 | 109.2 | E184 W208 T210 F259 H261 I262 L434 | E184-R229 IonicContact OE2-NH2 2.64Å; E184-R229 PolarHBondContact OE2-NH2 3.1Å; W208-R229 HydrophobicContact CB-CB 4.39Å; W208-R229 VanDerWaalsContact CD2-CZ 3.42Å; W208-R229 VanDerWaalsContact CE2-CZ 3.45Å; W208-R229 PolarHBondContact N-O 2.81Å; W208-R229 PolarHBondContact O-N 2.93Å; T210-R229 PolarHBondContact OG1-NH2 3.23Å; R229-F259 HydrophobicContact CB-CD1 4.1Å; R229-F259 HydrophobicContact CB-CE1 3.75Å; R229-H261 WeakPolarHBondContact CA-O 3.35Å; R229-I262 HydrophobicContact CG-CG2 4.33Å; R229-L434 HydrophobicContact CG-CD1 3.99Å |
| 230 | V | 95.6 | Very high | 89.3 | Confident | 21 Ų | 21 | 61 Ų | 61 | 13% | 0.127 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.3 | -174.5 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | L206 E207 F259 T260 H261 | L206-V230 CarbonylContact O-C 3.58Å; L206-V230 WeakPolarHBondContact O-CA 3.49Å; E207-V230 HydrophobicContact CG-CG2 4.24Å; V230-F259 WeakPolarHBondContact O-CA 3.15Å; V230-T260 PolarHBondContact O-N 3.42Å; V230-T260 PolarHBondContact O-OG1 2.88Å; V230-H261 HydrophobicContact CB-CB 4.06Å; V230-H261 HydrophobicContact CG2-CB 4.15Å; V230-H261 PolarHBondContact N-O 2.74Å; V230-H261 PolarHBondContact O-N 2.65Å |
| 231 | L | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 141.6 | 168.6 | -53.2 | 87 | 0 | 0 | 0 | 109.6 | S205 L206 L249 L251 F257 V258 F259 F429 | S205-L231 CarbonylContact C-O 3.51Å; S205-L231 VanDerWaalsContact CA-O 3.25Å; S205-L231 WeakPolarHBondContact CA-O 3.34Å; L206-L231 HydrophobicContact CB-CB 4.3Å; L206-L231 HydrophobicContact CB-CD1 4.31Å; L206-L231 PolarHBondContact N-O 2.92Å; L206-L231 PolarHBondContact O-N 2.71Å; L231-L249 HydrophobicContact CD1-CD2 3.77Å; L231-L249 HydrophobicContact CD2-CD2 3.87Å; L231-L251 HydrophobicContact CD2-CD1 4.03Å; L231-F257 HydrophobicContact CB-CB 4.29Å; L231-F257 HydrophobicContact CB-CD1 3.97Å; L231-F257 HydrophobicContact CD2-CB 4.18Å; L231-V258 CarbonylContact C-O 3.59Å; L231-V258 WeakPolarHBondContact CA-O 3.3Å; L231-F259 HydrophobicContact CD1-CD1 3.93Å; L231-F259 HydrophobicContact CD1-CE1 3.35Å; L231-F259 HydrophobicContact CD1-CE2 4.41Å; L231-F259 HydrophobicContact CD1-CZ 3.65Å; L231-F259 HydrophobicContact CD2-CD1 4.42Å; L231-F259 HydrophobicContact CD2-CD2 3.97Å; L231-F259 HydrophobicContact CD2-CE1 4.06Å; L231-F259 HydrophobicContact CD2-CE2 3.6Å; L231-F259 HydrophobicContact CD2-CG 4.38Å; L231-F259 HydrophobicContact CD2-CZ 3.65Å; L231-F259 HydrophobicContact CG-CD1 3.68Å; L231-F259 HydrophobicContact CG-CD2 4.06Å; L231-F259 HydrophobicContact CG-CE1 3.52Å; L231-F259 HydrophobicContact CG-CE2 3.94Å; L231-F259 HydrophobicContact CG-CG 3.96Å; L231-F259 HydrophobicContact CG-CZ 3.67Å; L231-F429 HydrophobicContact CD2-CD2 4.49Å; L231-F429 HydrophobicContact CD2-CE1 4.49Å; L231-F429 HydrophobicContact CD2-CE2 4.27Å; L231-F429 HydrophobicContact CD2-CZ 4.26Å |
| 232 | R | 91.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141 | 171.2 | -71.2 | -174.3 | 177.2 | -107.8 | -5.4 | 110.2 | S203 V204 F257 V258 T260 | S203-R232 PolarHBondContact OG-NH1 2.95Å; V204-R232 WeakPolarHBondContact O-CA 3.29Å; R232-F257 WeakPolarHBondContact O-CA 3.41Å; R232-V258 PolarHBondContact N-O 3.32Å; R232-V258 PolarHBondContact O-N 2.9Å; R232-T260 HydrophobicContact CB-CG2 3.85Å; R232-T260 HydrophobicContact CG-CG2 3.94Å |
| 233 | G | 88 | Confident | 93.5 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 171.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V204 | V204-G233 PolarHBondContact N-O 2.62Å; V204-G233 PolarHBondContact O-N 2.76Å |
| 234 | K | 83.8 | Confident | 93.5 | Very high | 86 Ų | 86 | 38.4 Ų | 38.4 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -105.5 | 7.9 | -178 | -70.2 | -168.6 | 179.3 | -131.3 | 0 | 113.4 | E196 K255 | E196-K234 IonicContact OE1-NZ 2.93Å; E196-K234 PolarHBondContact OE1-NZ 3.44Å; K234-K255 HydrophobicContact CB-CB 4.16Å; K234-K255 HydrophobicContact CB-CD 3.36Å; K234-K255 HydrophobicContact CB-CG 4.38Å |
| 235 | S | 88.3 | Confident | 93.4 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -149.8 | 152.6 | 176.8 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | K255 F257 | S235-K255 WeakPolarHBondContact OG-CB 3.13Å; S235-K255 PolarHBondContact OG-N 3.25Å; S235-F257 WeakPolarHBondContact O-CE2 3.42Å; S235-F257 WeakPolarHBondContact O-CZ 3.34Å |
| 236 | V | 91.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | trans | -70.9 | 131.2 | 173.8 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | E57 R60 A61 L188 V190 V204 | E57-V236 HydrophobicContact CB-CG2 4.21Å; E57-V236 WeakPolarHBondContact O-CG2 3.41Å; R60-V236 HydrophobicContact CB-CB 4.08Å; R60-V236 HydrophobicContact CB-CG2 4.26Å; A61-V236 HydrophobicContact CB-CG1 4.26Å; A61-V236 HydrophobicContact CB-CG2 3.97Å; L188-V236 HydrophobicContact CD1-CG1 4.44Å; L188-V236 HydrophobicContact CD2-CG1 3.85Å; V190-V236 HydrophobicContact CG2-CG2 4.42Å; V204-V236 HydrophobicContact CG1-CG2 4.45Å; V204-V236 HydrophobicContact CG2-CG2 3.9Å | ||
| 237 | P | 93.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | trans | -66.4 | 139.3 | 177.8 | 30 | -36.4 | 0 | 0 | 0 | 110.5 | L170 L206 Y239 A240 A252 A253 F257 | L170-P237 HydrophobicContact CD1-CG 4.04Å; L206-P237 HydrophobicContact CD1-CG 4.14Å; L206-P237 HydrophobicContact CD2-CG 4.12Å; P237-Y239 VanDerWaalsContact C-N 3.33Å; P237-A240 HydrophobicContact CB-CB 4.31Å; P237-A240 HydrophobicContact CG-CB 4.12Å; P237-A252 CarbonylContact C-O 3.57Å; P237-A252 WeakPolarHBondContact CA-O 3.28Å; P237-A253 HydrophobicContact CB-CB 4.23Å; P237-F257 HydrophobicContact CB-CE2 4.46Å | ||
| 238 | H | 93 | Very high | 93.2 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 31% | 0.31 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -74.1 | -30.4 | 170.8 | -73.1 | 89.4 | 0 | 0 | 0 | 111.6 | A252 E254 F424 F447 | H238-A252 PolarHBondContact N-O 2.88Å; H238-E254 IonicContact CE1-OE1 3.29Å; H238-E254 PolarHBondContact CE1-OE1 2.93Å; H238-F424 HydrophobicContact CB-CE2 4.47Å; H238-F424 HydrophobicContact CB-CZ 4.45Å; H238-F424 AromaticContact ND1-CE2 3.76Å; H238-F447 HydrophobicContact CB-CB 4.03Å; H238-F447 HydrophobicContact CB-CD1 3.76Å; H238-F447 HydrophobicContact CB-CD2 4.15Å; H238-F447 HydrophobicContact CB-CE1 4.21Å; H238-F447 HydrophobicContact CB-CG 3.71Å; H238-F447 WeakPolarHBondContact O-CE1 3.34Å; H238-F447 VanDerWaalsContact O-CZ 3.25Å; H238-F447 WeakPolarHBondContact O-CZ 3.44Å |
| 239 | Y | 95.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 136.1 | 176.8 | 176.9 | -90.2 | 0 | 0 | 0 | 109.5 | P237 A241 M250 L251 A252 F447 P459 L461 P474 | P237-Y239 VanDerWaalsContact C-N 3.33Å; Y239-A241 HydrophobicContact CE1-CB 3.92Å; Y239-A241 WeakPolarHBondContact OH-CB 3.37Å; Y239-M250 HydrophobicContact CE1-CB 4.07Å; Y239-L251 CarbonylContact O-C 3.6Å; Y239-L251 WeakPolarHBondContact O-CA 3.5Å; Y239-A252 PolarHBondContact N-O 2.87Å; Y239-A252 PolarHBondContact O-N 2.89Å; Y239-F447 HydrophobicContact CD2-CE2 4.46Å; Y239-P459 HydrophobicContact CE2-CB 4.18Å; Y239-P459 VanDerWaalsContact CE2-O 3.3Å; Y239-P459 WeakPolarHBondContact CE2-O 3.31Å; Y239-P459 PolarHBondContact OH-O 3.44Å; Y239-L461 HydrophobicContact CD2-CB 4.05Å; Y239-L461 HydrophobicContact CE2-CB 4.21Å; Y239-L461 HydrophobicContact CG-CB 4.5Å; Y239-P474 WeakPolarHBondContact OH-CG 3.39Å |
| 240 | A | 96.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 30 Ų | 30 | 12% | 0.116 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 121.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L170 L186 P237 M250 L251 | L170-A240 HydrophobicContact CD1-CB 3.83Å; L186-A240 HydrophobicContact CD2-CB 3.6Å; P237-A240 HydrophobicContact CB-CB 4.31Å; P237-A240 HydrophobicContact CG-CB 4.12Å; A240-M250 WeakPolarHBondContact CA-O 3.36Å; A240-L251 HydrophobicContact CB-CD2 3.41Å; A240-L251 VanDerWaalsContact CB-CD2 3.41Å |
| 241 | A | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 139.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y239 M250 M458 P459 | Y239-A241 HydrophobicContact CE1-CB 3.92Å; Y239-A241 WeakPolarHBondContact OH-CB 3.37Å; A241-M250 PolarHBondContact N-O 2.75Å; A241-M250 PolarHBondContact O-N 3.34Å; A241-M458 HydrophobicContact CB-CE 3.52Å; A241-M458 WeakPolarHBondContact O-CE 3.41Å; A241-P459 HydrophobicContact CB-CG 4.37Å |
| 242 | V | 97 | Very high | 93.3 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.3 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | H171 V173 E184 L186 W208 L249 | H171-V242 PolarHBondContact CE1-O 2.95Å; H171-V242 PolarHBondContact ND1-N 2.91Å; V173-V242 HydrophobicContact CG1-CB 4.22Å; V173-V242 HydrophobicContact CG1-CG1 4.08Å; E184-V242 HydrophobicContact CB-CG1 3.91Å; E184-V242 HydrophobicContact CG-CG1 4.18Å; L186-V242 HydrophobicContact CB-CG2 4.06Å; W208-V242 HydrophobicContact CZ2-CG1 3.68Å; V242-L249 HydrophobicContact CG2-CD1 4.22Å |
| 243 | A | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 152.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R245 G246 G248 M458 P476 | A243-R245 PolarHBondContact O-N 2.83Å; A243-G246 PolarHBondContact O-N 3.23Å; A243-G248 PolarHBondContact N-O 2.98Å; A243-M458 HydrophobicContact CB-SD 3.98Å; A243-P476 HydrophobicContact CB-CB 4.15Å; A243-P476 HydrophobicContact CB-CG 4.2Å |
| 244 | P | 93.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 25% | 0.253 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -49.2 | 141.9 | 175.2 | -27.5 | 36.3 | 0 | 0 | 0 | 111.2 | G246 | P244-G246 PolarHBondContact O-N 3.09Å; P244-G246 VanDerWaalsContact O-N 3.12Å |
| 245 | R | 91.5 | Very high | 93.3 | Very high | 163 Ų | 163 | 27.9 Ų | 27.9 | 62% | 0.615 | 13% | 0.134 | S | C | * | . | G | 310 helix | trans | 63.2 | 8.2 | -176.5 | -51.2 | 171.6 | 178.1 | 176 | 1.4 | 115.8 | H175 A243 E247 | H175-R245 HydrophobicContact CB-CB 4.45Å; H175-R245 HydrophobicContact CB-CG 4.3Å; A243-R245 PolarHBondContact O-N 2.83Å; R245-E247 VanDerWaalsContact C-N 3.3Å; R245-E247 HydrophobicContact CB-CG 4.08Å; R245-E247 WeakPolarHBondContact CD-OE1 3.27Å; R245-E247 IonicContact NH1-OE1 2.72Å |
| 246 | G | 91.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | 73.3 | 22.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | W208 A243 P244 G248 | W208-G246 WeakPolarHBondContact CH2-O 3.49Å; W208-G246 VanDerWaalsContact CZ2-O 3.3Å; W208-G246 WeakPolarHBondContact CZ2-O 3.31Å; A243-G246 PolarHBondContact O-N 3.23Å; P244-G246 PolarHBondContact O-N 3.09Å; P244-G246 VanDerWaalsContact O-N 3.12Å; G246-G248 PolarHBondContact O-N 3.07Å |
| 247 | E | 92.7 | Very high | 93 | Very high | 107 Ų | 107 | 30.6 Ų | 30.6 | 50% | 0.5 | 15% | 0.15 | S | C | . | . | trans | -77.7 | -3.7 | -176.2 | -69.3 | 173.4 | -174.8 | 0 | 0 | 113.4 | R245 G431 | R245-E247 VanDerWaalsContact C-N 3.3Å; R245-E247 HydrophobicContact CB-CG 4.08Å; R245-E247 WeakPolarHBondContact CD-OE1 3.27Å; R245-E247 IonicContact NH1-OE1 2.72Å; E247-G431 VanDerWaalsContact O-CA 3.32Å; E247-G431 WeakPolarHBondContact O-CA 3.35Å; E247-G431 PolarHBondContact O-N 2.69Å | ||
| 248 | G | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A243 G246 F429 | A243-G248 PolarHBondContact N-O 2.98Å; G246-G248 PolarHBondContact O-N 3.07Å; G248-F429 CarbonylContact C-O 3.59Å; G248-F429 WeakPolarHBondContact CA-O 3.31Å |
| 249 | L | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 130.8 | 178.4 | 173.8 | 68.8 | 0 | 0 | 0 | 109.2 | L186 W208 L231 V242 L251 F429 | L186-L249 HydrophobicContact CD1-CD1 4.09Å; L186-L249 HydrophobicContact CD2-CD1 3.71Å; W208-L249 HydrophobicContact CE3-CB 4.24Å; W208-L249 HydrophobicContact CZ3-CB 4.1Å; L231-L249 HydrophobicContact CD1-CD2 3.77Å; L231-L249 HydrophobicContact CD2-CD2 3.87Å; V242-L249 HydrophobicContact CG2-CD1 4.22Å; L249-L251 HydrophobicContact CD1-CD2 4.02Å; L249-L251 HydrophobicContact CD2-CD1 4.17Å; L249-L251 HydrophobicContact CD2-CD2 4.21Å; L249-L251 HydrophobicContact CD2-CG 4.19Å; L249-L251 HydrophobicContact CG-CD2 4.06Å; L249-L251 HydrophobicContact CG-CG 4.09Å; L249-F429 HydrophobicContact CB-CB 4.35Å; L249-F429 PolarHBondContact N-O 3.16Å; L249-F429 PolarHBondContact O-N 2.85Å |
| 250 | M | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.8 | 172.7 | -66.1 | -171.6 | -171.8 | 0 | 0 | 110.9 | Y239 A240 A241 T427 H428 M458 P474 P476 L482 | Y239-M250 HydrophobicContact CE1-CB 4.07Å; A240-M250 WeakPolarHBondContact CA-O 3.36Å; A241-M250 PolarHBondContact N-O 2.75Å; A241-M250 PolarHBondContact O-N 3.34Å; M250-T427 CarbonylContact C-O 3.54Å; M250-T427 WeakPolarHBondContact CA-O 3.47Å; M250-H428 HydrophobicContact CG-CB 4.23Å; M250-M458 HydrophobicContact CB-CE 3.74Å; M250-M458 HydrophobicContact CE-SD 4.06Å; M250-M458 HydrophobicContact CG-CE 3.74Å; M250-M458 HydrophobicContact CG-SD 4.37Å; M250-M458 HydrophobicContact SD-CE 3.89Å; M250-M458 HydrophobicContact SD-SD 3.99Å; M250-P474 HydrophobicContact CE-CB 4.01Å; M250-P474 HydrophobicContact SD-CB 3.61Å; M250-P474 HydrophobicContact SD-CG 4.17Å; M250-P476 HydrophobicContact CE-CB 4.38Å; M250-L482 HydrophobicContact CE-CD2 4.26Å |
| 251 | L | 95.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133 | -179 | -60.2 | -177.6 | 0 | 0 | 0 | 110.7 | L206 L231 Y239 A240 L249 F257 L426 T427 F429 | L206-L251 HydrophobicContact CD1-CD1 3.7Å; L206-L251 HydrophobicContact CD1-CD2 3.58Å; L206-L251 HydrophobicContact CD1-CG 4.34Å; L231-L251 HydrophobicContact CD2-CD1 4.03Å; Y239-L251 CarbonylContact O-C 3.6Å; Y239-L251 WeakPolarHBondContact O-CA 3.5Å; A240-L251 HydrophobicContact CB-CD2 3.41Å; A240-L251 VanDerWaalsContact CB-CD2 3.41Å; L249-L251 HydrophobicContact CD1-CD2 4.02Å; L249-L251 HydrophobicContact CD2-CD1 4.17Å; L249-L251 HydrophobicContact CD2-CD2 4.21Å; L249-L251 HydrophobicContact CD2-CG 4.19Å; L249-L251 HydrophobicContact CG-CD2 4.06Å; L249-L251 HydrophobicContact CG-CG 4.09Å; L251-F257 HydrophobicContact CD1-CB 3.83Å; L251-F257 HydrophobicContact CD1-CD2 4.14Å; L251-F257 HydrophobicContact CD1-CG 3.92Å; L251-L426 CarbonylContact O-C 3.53Å; L251-L426 WeakPolarHBondContact O-CA 3.34Å; L251-T427 PolarHBondContact N-O 3.26Å; L251-T427 PolarHBondContact O-N 3.06Å; L251-F429 HydrophobicContact CD1-CD2 4.39Å; L251-F429 HydrophobicContact CD1-CE2 3.8Å; L251-F429 HydrophobicContact CG-CE2 4.21Å |
| 252 | A | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P237 H238 Y239 F424 S425 L426 L442 | P237-A252 CarbonylContact C-O 3.57Å; P237-A252 WeakPolarHBondContact CA-O 3.28Å; H238-A252 PolarHBondContact N-O 2.88Å; Y239-A252 PolarHBondContact N-O 2.87Å; Y239-A252 PolarHBondContact O-N 2.89Å; A252-F424 HydrophobicContact CB-CE2 4.21Å; A252-F424 HydrophobicContact CB-CZ 4.16Å; A252-S425 VanDerWaalsContact CA-O 3.29Å; A252-S425 WeakPolarHBondContact CA-O 3.17Å; A252-L426 HydrophobicContact CB-CD1 3.96Å; A252-L442 HydrophobicContact CB-CD1 4.36Å |
| 253 | A | 92.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 148.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P237 K255 F257 F424 S425 | P237-A253 HydrophobicContact CB-CB 4.23Å; A253-K255 WeakPolarHBondContact CB-O 3.44Å; A253-K255 PolarHBondContact O-N 2.87Å; A253-F257 HydrophobicContact CB-CD2 3.89Å; A253-F257 HydrophobicContact CB-CE2 3.67Å; A253-F424 VanDerWaalsContact O-CD2 3.31Å; A253-F424 WeakPolarHBondContact O-CD2 3.29Å; A253-S425 PolarHBondContact N-O 2.84Å; A253-S425 PolarHBondContact O-N 2.85Å |
| 254 | E | 87.2 | Confident | 91.5 | Very high | 44 Ų | 44 | 41 Ų | 41 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -69.5 | -22 | 179.3 | -74.4 | -179.2 | -168.9 | 0 | 0 | 113.3 | R60 H238 P420 G423 F424 | R60-E254 IonicContact CZ-OE1 3.03Å; R60-E254 IonicContact CZ-OE2 3.97Å; R60-E254 VanDerWaalsContact CZ-OE2 3.29Å; R60-E254 IonicContact NH1-OE1 2.69Å; R60-E254 PolarHBondContact NH1-OE1 3.19Å; R60-E254 VanDerWaalsContact NH1-OE1 3.09Å; R60-E254 IonicContact NH1-OE2 2.78Å; R60-E254 PolarHBondContact NH1-OE2 3Å; R60-E254 IonicContact NH2-OE1 2.67Å; R60-E254 PolarHBondContact NH2-OE1 2.88Å; R60-E254 IonicContact NH2-OE2 3.35Å; R60-E254 PolarHBondContact NH2-OE2 2.98Å; H238-E254 IonicContact CE1-OE1 3.29Å; H238-E254 PolarHBondContact CE1-OE1 2.93Å; E254-P420 HydrophobicContact CG-CB 4.14Å; E254-G423 CarbonylContact C-O 3.55Å; E254-G423 CarbonylContact O-C 3.5Å; E254-F424 HydrophobicContact CG-CD2 4.01Å |
| 255 | K | 85.4 | Confident | 91.3 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -132.1 | 142.4 | 177.9 | -62.5 | -176.6 | -176.7 | 169.9 | 0 | 107.6 | K234 S235 A253 | K234-K255 HydrophobicContact CB-CB 4.16Å; K234-K255 HydrophobicContact CB-CD 3.36Å; K234-K255 HydrophobicContact CB-CG 4.38Å; S235-K255 WeakPolarHBondContact OG-CB 3.13Å; S235-K255 PolarHBondContact OG-N 3.25Å; A253-K255 WeakPolarHBondContact CB-O 3.44Å; A253-K255 PolarHBondContact O-N 2.87Å |
| 256 | P | 83.7 | Confident | 91.1 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 38% | 0.383 | 24% | 0.239 | S | C | . | . | trans | -64.8 | 152.9 | -175.6 | 26.4 | -34.6 | 0 | 0 | 0 | 111.5 | ||||
| 257 | F | 89.8 | Confident | 90.9 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | trans | -107.1 | 143.4 | 172.3 | -83.6 | -97.7 | 0 | 0 | 0 | 110.1 | V204 L206 L231 R232 S235 P237 L251 A253 F429 | V204-F257 HydrophobicContact CB-CZ 4.43Å; V204-F257 HydrophobicContact CG1-CE1 4.15Å; V204-F257 HydrophobicContact CG1-CZ 3.91Å; L206-F257 HydrophobicContact CD1-CD1 3.95Å; L206-F257 HydrophobicContact CD1-CE1 3.76Å; L206-F257 HydrophobicContact CD1-CG 4.45Å; L206-F257 HydrophobicContact CD1-CZ 4.1Å; L206-F257 HydrophobicContact CG-CD1 4.19Å; L206-F257 HydrophobicContact CG-CE1 3.7Å; L206-F257 HydrophobicContact CG-CZ 4.25Å; L231-F257 HydrophobicContact CB-CB 4.29Å; L231-F257 HydrophobicContact CB-CD1 3.97Å; L231-F257 HydrophobicContact CD2-CB 4.18Å; R232-F257 WeakPolarHBondContact O-CA 3.41Å; S235-F257 WeakPolarHBondContact O-CE2 3.42Å; S235-F257 WeakPolarHBondContact O-CZ 3.34Å; P237-F257 HydrophobicContact CB-CE2 4.46Å; L251-F257 HydrophobicContact CD1-CB 3.83Å; L251-F257 HydrophobicContact CD1-CD2 4.14Å; L251-F257 HydrophobicContact CD1-CG 3.92Å; A253-F257 HydrophobicContact CB-CD2 3.89Å; A253-F257 HydrophobicContact CB-CE2 3.67Å; F257-F429 WeakPolarHBondContact O-CZ 3.36Å | ||
| 258 | V | 89.1 | Confident | 89.8 | Confident | 39 Ų | 39 | 51 Ų | 51 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.7 | 176 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | L231 R232 T260 | L231-V258 CarbonylContact C-O 3.59Å; L231-V258 WeakPolarHBondContact CA-O 3.3Å; R232-V258 PolarHBondContact N-O 3.32Å; R232-V258 PolarHBondContact O-N 2.9Å; V258-T260 HydrophobicContact CG2-CG2 4.19Å; V258-T260 PolarHBondContact O-N 3.23Å |
| 259 | F | 91.7 | Very high | 88.2 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 128.1 | 170.4 | -75.6 | -87.2 | 0 | 0 | 0 | 109.6 | R229 V230 L231 F429 L434 | R229-F259 HydrophobicContact CB-CD1 4.1Å; R229-F259 HydrophobicContact CB-CE1 3.75Å; V230-F259 WeakPolarHBondContact O-CA 3.15Å; L231-F259 HydrophobicContact CD1-CD1 3.93Å; L231-F259 HydrophobicContact CD1-CE1 3.35Å; L231-F259 HydrophobicContact CD1-CE2 4.41Å; L231-F259 HydrophobicContact CD1-CZ 3.65Å; L231-F259 HydrophobicContact CD2-CD1 4.42Å; L231-F259 HydrophobicContact CD2-CD2 3.97Å; L231-F259 HydrophobicContact CD2-CE1 4.06Å; L231-F259 HydrophobicContact CD2-CE2 3.6Å; L231-F259 HydrophobicContact CD2-CG 4.38Å; L231-F259 HydrophobicContact CD2-CZ 3.65Å; L231-F259 HydrophobicContact CG-CD1 3.68Å; L231-F259 HydrophobicContact CG-CD2 4.06Å; L231-F259 HydrophobicContact CG-CE1 3.52Å; L231-F259 HydrophobicContact CG-CE2 3.94Å; L231-F259 HydrophobicContact CG-CG 3.96Å; L231-F259 HydrophobicContact CG-CZ 3.67Å; F259-F429 HydrophobicContact CD2-CD1 4.16Å; F259-F429 HydrophobicContact CD2-CE1 4.42Å; F259-F429 HydrophobicContact CE2-CB 4.14Å; F259-F429 AromaticContact CE2-CD1 3.61Å; F259-F429 HydrophobicContact CE2-CD1 3.61Å; F259-F429 HydrophobicContact CE2-CE1 4.21Å; F259-F429 AromaticContact CE2-CG 3.97Å; F259-F429 HydrophobicContact CE2-CG 3.97Å; F259-L434 HydrophobicContact CD1-CB 4.39Å; F259-L434 HydrophobicContact CD1-CD1 4.23Å; F259-L434 HydrophobicContact CD2-CB 3.81Å; F259-L434 WeakPolarHBondContact CD2-O 3.38Å; F259-L434 HydrophobicContact CE1-CB 4.35Å; F259-L434 HydrophobicContact CE1-CD1 4.26Å; F259-L434 HydrophobicContact CE1-CD2 4.11Å; F259-L434 HydrophobicContact CE1-CG 4.48Å; F259-L434 HydrophobicContact CE2-CB 3.74Å; F259-L434 HydrophobicContact CE2-CD2 4.42Å; F259-L434 WeakPolarHBondContact CE2-O 3.13Å; F259-L434 HydrophobicContact CG-CB 4.13Å; F259-L434 HydrophobicContact CZ-CB 4.02Å; F259-L434 HydrophobicContact CZ-CD2 3.88Å; F259-L434 HydrophobicContact CZ-CG 4.39Å |
| 260 | T | 90.6 | Very high | 86.2 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -27.1 | -179.9 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | V230 R232 V258 P266 V267 | V230-T260 PolarHBondContact O-N 3.42Å; V230-T260 PolarHBondContact O-OG1 2.88Å; R232-T260 HydrophobicContact CB-CG2 3.85Å; R232-T260 HydrophobicContact CG-CG2 3.94Å; V258-T260 HydrophobicContact CG2-CG2 4.19Å; V258-T260 PolarHBondContact O-N 3.23Å; T260-P266 CarbonylContact O-C 3.56Å; T260-P266 VanDerWaalsContact O-CA 3.26Å; T260-P266 WeakPolarHBondContact O-CA 3.37Å; T260-V267 PolarHBondContact O-N 2.97Å |
| 261 | H | 92.3 | Very high | 83.8 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 138.9 | 178.8 | -59.1 | 71.6 | 0 | 0 | 0 | 111.2 | R229 V230 R265 | R229-H261 WeakPolarHBondContact CA-O 3.35Å; V230-H261 HydrophobicContact CB-CB 4.06Å; V230-H261 HydrophobicContact CG2-CB 4.15Å; V230-H261 PolarHBondContact N-O 2.74Å; V230-H261 PolarHBondContact O-N 2.65Å; H261-R265 CarbonylContact C-O 3.53Å; H261-R265 WeakPolarHBondContact CA-O 3.37Å |
| 262 | I | 92.8 | Very high | 81.4 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 120.6 | 171.9 | -59.8 | 164.3 | 0 | 0 | 0 | 107.4 | R229 G264 R265 V267 L434 | R229-I262 HydrophobicContact CG-CG2 4.33Å; I262-G264 PolarHBondContact O-N 3.05Å; I262-G264 VanDerWaalsContact O-N 3.14Å; I262-R265 PolarHBondContact N-O 2.85Å; I262-R265 WeakPolarHBondContact O-CB 3.39Å; I262-R265 PolarHBondContact O-N 2.87Å; I262-V267 HydrophobicContact CB-CG2 4.27Å; I262-V267 HydrophobicContact CD1-CG2 3.42Å; I262-V267 VanDerWaalsContact CD1-CG2 3.42Å; I262-V267 HydrophobicContact CG1-CG2 3.55Å; I262-L434 HydrophobicContact CD1-CD1 3.48Å; I262-L434 VanDerWaalsContact CD1-CD1 3.48Å; I262-L434 HydrophobicContact CG1-CD1 3.73Å |
| 263 | D | 92.1 | Very high | 79.1 | Confident | 90 Ų | 90 | 65.6 Ų | 65.6 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 39.9 | -178.7 | -57.5 | -34.4 | 0 | 0 | 0 | 112.8 | K227 R228 R265 | K227-D263 VanDerWaalsContact CA-OD1 3.31Å; K227-D263 WeakPolarHBondContact CA-OD1 3.47Å; R228-D263 PolarHBondContact N-OD1 3.46Å; R228-D263 PolarHBondContact O-N 2.96Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 PolarHBondContact O-N 3.16Å |
| 264 | G | 86.8 | Confident | 76.8 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 42% | 0.423 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -2.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I262 | I262-G264 PolarHBondContact O-N 3.05Å; I262-G264 VanDerWaalsContact O-N 3.14Å |
| 265 | R | 89.5 | Confident | 74.8 | Confident | 194 Ų | 194 | 75.3 Ų | 75.3 | 73% | 0.732 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132 | 176 | -58.2 | -179.8 | -176.3 | -178.3 | 1.3 | 110.1 | H261 I262 D263 | H261-R265 CarbonylContact C-O 3.53Å; H261-R265 WeakPolarHBondContact CA-O 3.37Å; I262-R265 PolarHBondContact N-O 2.85Å; I262-R265 WeakPolarHBondContact O-CB 3.39Å; I262-R265 PolarHBondContact O-N 2.87Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 PolarHBondContact O-N 3.16Å |
| 266 | P | 88.3 | Confident | 72.7 | Confident | 103 Ų | 103 | 77.1 Ų | 77.1 | 67% | 0.669 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 142.2 | 175.2 | 28.3 | -33.6 | 0 | 0 | 0 | 110.3 | T260 | T260-P266 CarbonylContact O-C 3.56Å; T260-P266 VanDerWaalsContact O-CA 3.26Å; T260-P266 WeakPolarHBondContact O-CA 3.37Å |
| 267 | V | 86.1 | Confident | 70.7 | Confident | 55 Ų | 55 | 80.1 Ų | 80.1 | 33% | 0.333 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -98 | 134.5 | 171.4 | -174.4 | 0 | 0 | 0 | 0 | 107.4 | T260 I262 | T260-V267 PolarHBondContact O-N 2.97Å; I262-V267 HydrophobicContact CB-CG2 4.27Å; I262-V267 HydrophobicContact CD1-CG2 3.42Å; I262-V267 VanDerWaalsContact CD1-CG2 3.42Å; I262-V267 HydrophobicContact CG1-CG2 3.55Å |
| 268 | E | 70.9 | Confident | 68.5 | Low | 177 Ų | 177 | 86.1 Ų | 86.1 | 83% | 0.827 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 128.1 | 174.2 | -73.3 | -176.3 | 171.2 | 0 | 0 | 109.3 | ||
| 269 | P | 59.7 | Low | 66.2 | Low | 91 Ų | 91 | 91.9 Ų | 91.9 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 141.6 | 174 | 26 | -31.9 | 0 | 0 | 0 | 108.4 | ||
| 270 | P | 54.2 | Low | 63.8 | Low | 49 Ų | 49 | 97.7 Ų | 97.7 | 32% | 0.318 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 140.2 | 170.5 | 21 | -31.8 | 0 | 0 | 0 | 109.5 | V4 | V4-P270 HydrophobicContact CB-CG 4.2Å; V4-P270 HydrophobicContact CG1-CB 3.85Å; V4-P270 HydrophobicContact CG1-CG 3.33Å; V4-P270 HydrophobicContact CG2-CG 4.22Å |
| 271 | P | 46.3 | Very low | 62.1 | Low | 68 Ų | 68 | 101.6 Ų | 101.6 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 142.3 | -176.7 | 20.5 | -31 | 0 | 0 | 0 | 110.2 | L275 | P271-L275 HydrophobicContact CB-CB 4.34Å; P271-L275 HydrophobicContact CB-CD1 4.25Å |
| 272 | P | 46.2 | Very low | 60.4 | Low | 65 Ų | 65 | 105 Ų | 105 | 42% | 0.422 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -46.7 | 145 | 177.1 | -28 | 30.9 | 0 | 0 | 0 | 112.2 | E274 L275 R276 | P272-E274 PolarHBondContact O-N 2.78Å; P272-L275 PolarHBondContact O-N 2.8Å; P272-R276 PolarHBondContact O-N 3.43Å |
| 273 | P | 45.5 | Very low | 59.3 | Low | 39 Ų | 39 | 104 Ų | 104 | 25% | 0.253 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -52.4 | -31 | 177.8 | 26.2 | -38.9 | 0 | 0 | 0 | 112.6 | E3 L275 R276 E277 | E3-P273 HydrophobicContact CB-CG 4.21Å; E3-P273 WeakPolarHBondContact O-CB 3.34Å; E3-P273 VanDerWaalsContact O-CD 3.31Å; E3-P273 WeakPolarHBondContact O-CD 3.38Å; E3-P273 WeakPolarHBondContact O-CG 3.49Å; P273-L275 PolarHBondContact O-N 2.87Å; P273-R276 CarbonylContact O-C 3.56Å; P273-R276 WeakPolarHBondContact O-CA 3.29Å; P273-R276 PolarHBondContact O-N 2.81Å; P273-E277 WeakPolarHBondContact O-CG 3.44Å; P273-E277 PolarHBondContact O-N 3.4Å |
| 274 | E | 45.3 | Very low | 58.5 | Low | 152 Ų | 152 | 102.3 Ų | 102.3 | 71% | 0.71 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -55.7 | -35.5 | 174.8 | -65.1 | 164.7 | -176.1 | 0 | 0 | 112.8 | P272 L278 | P272-E274 PolarHBondContact O-N 2.78Å; E274-L278 WeakPolarHBondContact O-CD1 3.47Å |
| 275 | L | 43.8 | Very low | 58.3 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -82.5 | -21.7 | 175 | -69.5 | 171.8 | 0 | 0 | 0 | 113 | P271 P272 P273 L278 | P271-L275 HydrophobicContact CB-CB 4.34Å; P271-L275 HydrophobicContact CB-CD1 4.25Å; P272-L275 PolarHBondContact O-N 2.8Å; P273-L275 PolarHBondContact O-N 2.87Å; L275-L278 HydrophobicContact CD2-CD1 4.29Å |
| 276 | R | 41.7 | Very low | 58.1 | Low | 132 Ų | 132 | 94 Ų | 94 | 50% | 0.498 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -83.1 | -31.8 | 173.6 | -87.7 | 179.9 | 163.9 | -179.3 | -2.6 | 112.9 | P272 P273 L278 E279 | P272-R276 PolarHBondContact O-N 3.43Å; P273-R276 CarbonylContact O-C 3.56Å; P273-R276 WeakPolarHBondContact O-CA 3.29Å; P273-R276 PolarHBondContact O-N 2.81Å; R276-L278 PolarHBondContact O-N 2.88Å; R276-E279 CarbonylContact O-C 3.52Å; R276-E279 WeakPolarHBondContact O-CA 3.49Å; R276-E279 WeakPolarHBondContact O-CB 3.33Å; R276-E279 PolarHBondContact O-N 3.34Å |
| 277 | E | 41.1 | Very low | 58.1 | Low | 122 Ų | 122 | 89.4 Ų | 89.4 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.3 | -29.7 | 171 | -74.3 | -121.1 | 115.3 | 0 | 0 | 111.3 | P273 E279 K280 | P273-E277 WeakPolarHBondContact O-CG 3.44Å; P273-E277 PolarHBondContact O-N 3.4Å; E277-E279 PolarHBondContact O-N 2.85Å; E277-K280 PolarHBondContact O-N 3.19Å; E277-K280 IonicContact OE1-NZ 2.71Å; E277-K280 PolarHBondContact OE1-NZ 2.94Å |
| 278 | L | 43.7 | Very low | 58.2 | Low | 137 Ų | 137 | 90.8 Ų | 90.8 | 72% | 0.717 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.8 | 168.3 | -87.3 | 153.9 | 0 | 0 | 0 | 113.7 | E274 L275 R276 | E274-L278 WeakPolarHBondContact O-CD1 3.47Å; L275-L278 HydrophobicContact CD2-CD1 4.29Å; R276-L278 PolarHBondContact O-N 2.88Å |
| 279 | E | 41 | Very low | 58.9 | Low | 160 Ų | 160 | 82.9 Ų | 82.9 | 75% | 0.748 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 15.5 | 171.9 | -68.6 | -172.9 | 156.1 | 0 | 0 | 113 | R276 E277 A281 | R276-E279 CarbonylContact O-C 3.52Å; R276-E279 WeakPolarHBondContact O-CA 3.49Å; R276-E279 WeakPolarHBondContact O-CB 3.33Å; R276-E279 PolarHBondContact O-N 3.34Å; E277-E279 PolarHBondContact O-N 2.85Å; E279-A281 PolarHBondContact O-N 2.94Å |
| 280 | K | 41.8 | Very low | 60.1 | Low | 143 Ų | 143 | 81.6 Ų | 81.6 | 62% | 0.622 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -60.6 | 113.5 | 152.2 | -82.4 | 175.2 | -178 | 155.1 | 0 | 105.9 | E277 E282 | E277-K280 PolarHBondContact O-N 3.19Å; E277-K280 IonicContact OE1-NZ 2.71Å; E277-K280 PolarHBondContact OE1-NZ 2.94Å; K280-E282 PolarHBondContact O-N 2.91Å |
| 281 | A | 55.2 | Low | 61.3 | Low | 96 Ų | 96 | 81.8 Ų | 81.8 | 79% | 0.793 | 43% | 0.428 | S | S | * | . | trans | -47.7 | 120.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107 | E279 | E279-A281 PolarHBondContact O-N 2.94Š| ||
| 282 | E | 57.5 | Low | 63.1 | Low | 138 Ų | 138 | 80 Ų | 80 | 65% | 0.645 | 42% | 0.419 | S | S | * | . | trans | -44.8 | 128.9 | -175.4 | -70.1 | -166.9 | 135.4 | 0 | 0 | 109.6 | K280 L284 R299 | K280-E282 PolarHBondContact O-N 2.91Å; E282-L284 PolarHBondContact O-N 2.79Å; E282-R299 IonicContact OE1-NH1 2.69Å; E282-R299 PolarHBondContact OE1-NH1 3.04Å; E282-R299 IonicContact OE2-NH1 3.26Å; E282-R299 PolarHBondContact OE2-NH1 2.99Å | ||
| 283 | P | 68.9 | Low | 65 | Low | 31 Ų | 31 | 79.8 Ų | 79.8 | 20% | 0.201 | 41% | 0.414 | C | S | . | . | trans | -57 | 135.9 | 179.7 | 26.3 | -36.1 | 0 | 0 | 0 | 108.9 | Y285 F286 E376 | P283-Y285 PolarHBondContact O-N 2.99Å; P283-F286 HydrophobicContact CB-CE1 4.46Å; P283-F286 HydrophobicContact CG-CD1 4.21Å; P283-F286 HydrophobicContact CG-CE1 3.39Å; P283-F286 HydrophobicContact CG-CE2 4.09Å; P283-F286 HydrophobicContact CG-CZ 3.34Å; P283-E376 HydrophobicContact CB-CB 4.13Å; P283-E376 HydrophobicContact CG-CB 4.26Å | ||
| 284 | L | 74.4 | Confident | 67.1 | Low | 56 Ų | 56 | 77.9 Ų | 77.9 | 29% | 0.293 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -67.3 | -29.6 | -176.1 | -78.9 | 145 | 0 | 0 | 0 | 112.3 | E282 R374 | E282-L284 PolarHBondContact O-N 2.79Å; L284-R374 HydrophobicContact CD1-CB 3.86Å; L284-R374 HydrophobicContact CD1-CG 4.43Å; L284-R374 PolarHBondContact N-O 3.27Å |
| 285 | Y | 82.4 | Confident | 69.2 | Low | 3 Ų | 3 | 72.6 Ų | 72.6 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 145.3 | 179.8 | 66.5 | -86.8 | 0 | 0 | 0 | 110.7 | P283 W287 V296 C297 L329 L368 G375 E376 | P283-Y285 PolarHBondContact O-N 2.99Å; Y285-W287 AromaticContact CE2-CD1 3.75Å; Y285-W287 HydrophobicContact CE2-CG 4.41Å; Y285-V296 HydrophobicContact CD2-CG1 3.72Å; Y285-V296 HydrophobicContact CE2-CG1 4.49Å; Y285-V296 HydrophobicContact CG-CG1 4.27Å; Y285-C297 CarbonylContact C-O 3.46Å; Y285-C297 VanDerWaalsContact CA-O 3.23Å; Y285-C297 WeakPolarHBondContact CA-O 3.31Å; Y285-L329 HydrophobicContact CD1-CD1 4.23Å; Y285-L329 HydrophobicContact CD1-CD2 4.34Å; Y285-L329 HydrophobicContact CD2-CD2 4.4Å; Y285-L329 HydrophobicContact CE1-CD1 3.59Å; Y285-L329 HydrophobicContact CE1-CD2 4.3Å; Y285-L329 HydrophobicContact CE1-CG 4.46Å; Y285-L329 HydrophobicContact CE2-CD2 4.34Å; Y285-L329 HydrophobicContact CG-CD2 4.39Å; Y285-L368 HydrophobicContact CD2-CD2 4.11Å; Y285-L368 HydrophobicContact CE2-CB 4.36Å; Y285-L368 HydrophobicContact CE2-CD2 3.52Å; Y285-G375 WeakPolarHBondContact O-CA 3.34Å; Y285-E376 PolarHBondContact O-N 2.79Å; Y285-E376 VanDerWaalsContact O-N 3.09Å |
| 286 | F | 85.8 | Confident | 71.4 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 146.6 | 169.3 | -61.2 | -86 | 0 | 0 | 0 | 107.7 | P283 V296 C297 E376 V378 | P283-F286 HydrophobicContact CB-CE1 4.46Å; P283-F286 HydrophobicContact CG-CD1 4.21Å; P283-F286 HydrophobicContact CG-CE1 3.39Å; P283-F286 HydrophobicContact CG-CE2 4.09Å; P283-F286 HydrophobicContact CG-CZ 3.34Å; F286-V296 CarbonylContact O-C 3.54Å; F286-V296 WeakPolarHBondContact O-CA 3.48Å; F286-C297 PolarHBondContact N-O 3.19Å; F286-C297 PolarHBondContact O-N 3.12Å; F286-E376 CarbonylContact C-O 3.56Å; F286-E376 WeakPolarHBondContact CA-O 3.42Å; F286-E376 HydrophobicContact CD1-CB 4.04Å; F286-E376 HydrophobicContact CE1-CB 4.31Å; F286-V378 HydrophobicContact CB-CG2 4.07Å; F286-V378 HydrophobicContact CD1-CG2 3.78Å; F286-V378 HydrophobicContact CG-CG2 4.35Å |
| 287 | W | 88.8 | Confident | 73.5 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.3 | 174.6 | 64 | -72.3 | 0 | 0 | 0 | 111.3 | Y285 Q289 L294 T295 V296 W365 L368 E376 L377 V378 | Y285-W287 AromaticContact CE2-CD1 3.75Å; Y285-W287 HydrophobicContact CE2-CG 4.41Å; W287-Q289 HydrophobicContact CZ3-CB 4.24Å; W287-Q289 HydrophobicContact CZ3-CG 4.43Å; W287-L294 HydrophobicContact CE3-CD2 3.84Å; W287-L294 HydrophobicContact CZ3-CD2 3.73Å; W287-T295 CarbonylContact C-O 3.59Å; W287-T295 WeakPolarHBondContact CA-O 3.28Å; W287-V296 HydrophobicContact CB-CB 4.31Å; W287-V296 HydrophobicContact CB-CG1 4.28Å; W287-V296 HydrophobicContact CB-CG2 4Å; W287-W365 HydrophobicContact CH2-CB 4.22Å; W287-W365 WeakPolarHBondContact CH2-O 3.43Å; W287-W365 HydrophobicContact CZ3-CB 4.29Å; W287-L368 HydrophobicContact CB-CD2 4.5Å; W287-L368 HydrophobicContact CD2-CB 4.04Å; W287-L368 HydrophobicContact CE3-CB 4.39Å; W287-L368 HydrophobicContact CE3-CD1 4.41Å; W287-L368 HydrophobicContact CG-CB 4.37Å; W287-L368 HydrophobicContact CG-CD2 4.46Å; W287-L368 HydrophobicContact CZ2-CB 4.42Å; W287-E376 VanDerWaalsContact CD1-O 3.26Å; W287-E376 PolarHBondContact N-O 2.85Å; W287-L377 HydrophobicContact CD2-CD1 3.98Å; W287-L377 HydrophobicContact CE3-CD1 3.8Å; W287-L377 HydrophobicContact CH2-CB 4.48Å; W287-L377 HydrophobicContact CH2-CD1 3.89Å; W287-L377 HydrophobicContact CH2-CD2 4.36Å; W287-L377 HydrophobicContact CH2-CG 4.47Å; W287-L377 HydrophobicContact CZ2-CB 3.86Å; W287-L377 HydrophobicContact CZ2-CD1 4.04Å; W287-L377 HydrophobicContact CZ2-CD2 4.45Å; W287-L377 HydrophobicContact CZ2-CG 4.33Å; W287-L377 HydrophobicContact CZ3-CD1 3.76Å; W287-L377 CarbonylContact O-C 3.54Å; W287-L377 WeakPolarHBondContact O-CA 3.29Å; W287-V378 PolarHBondContact O-N 3.05Å |
| 288 | Q | 87 | Confident | 75.6 | Confident | 83 Ų | 83 | 58 Ų | 58 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 156.5 | -179.1 | -55.9 | -168.8 | -45.3 | 0 | 0 | 108 | L294 T295 V378 | Q288-L294 CarbonylContact O-C 3.58Å; Q288-L294 WeakPolarHBondContact O-CA 3.3Å; Q288-T295 PolarHBondContact N-O 3.31Å; Q288-T295 PolarHBondContact O-N 3.27Å; Q288-V378 HydrophobicContact CG-CB 4.06Å; Q288-V378 WeakPolarHBondContact CG-O 3.32Å |
| 289 | Q | 86.7 | Confident | 77.2 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.4 | 179.6 | 75.3 | 177 | -58.9 | 0 | 0 | 112.5 | W287 D293 L294 M364 W365 L377 Q383 | W287-Q289 HydrophobicContact CZ3-CB 4.24Å; W287-Q289 HydrophobicContact CZ3-CG 4.43Å; Q289-D293 CarbonylContact C-O 3.57Å; Q289-D293 WeakPolarHBondContact CA-O 3.36Å; Q289-L294 HydrophobicContact CB-CD2 3.35Å; Q289-L294 HydrophobicContact CB-CG 4.48Å; Q289-M364 HydrophobicContact CG-SD 3.65Å; Q289-W365 PolarHBondContact NE2-O 3.19Å; Q289-L377 HydrophobicContact CG-CD1 4.29Å; Q289-Q383 PolarHBondContact O-NE2 2.82Å |
| 290 | T | 83.6 | Confident | 78.7 | Confident | 65 Ų | 65 | 51 Ų | 51 | 40% | 0.399 | 28% | 0.278 | S | S | . | . | trans | -118.3 | -176 | 164.5 | 69.2 | 0 | 0 | 0 | 0 | 109 | A292 D293 K358 | T290-A292 PolarHBondContact O-N 3.18Å; T290-A292 PolarHBondContact OG1-N 3.2Å; T290-D293 PolarHBondContact N-O 3.03Å; T290-D293 PolarHBondContact OG1-N 2.98Å; T290-K358 PolarHBondContact O-NZ 3.19Å | ||
| 291 | A | 81.3 | Confident | 79.7 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -60.8 | -29.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 292 | A | 82.3 | Confident | 79.9 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -103.8 | -35.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T290 K358 | T290-A292 PolarHBondContact O-N 3.18Å; T290-A292 PolarHBondContact OG1-N 3.2Å; A292-K358 WeakPolarHBondContact O-CB 3.23Å; A292-K358 VanDerWaalsContact O-CG 3.29Å; A292-K358 WeakPolarHBondContact O-CG 3.12Å; A292-K358 PolarHBondContact O-N 3.05Å |
| 293 | D | 87.5 | Confident | 80.3 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 162.1 | -164.5 | -52.7 | -33.3 | 0 | 0 | 0 | 113.2 | Q289 T290 L356 Q357 | Q289-D293 CarbonylContact C-O 3.57Å; Q289-D293 WeakPolarHBondContact CA-O 3.36Å; T290-D293 PolarHBondContact N-O 3.03Å; T290-D293 PolarHBondContact OG1-N 2.98Å; D293-L356 CarbonylContact C-O 3.59Å; D293-L356 WeakPolarHBondContact CA-O 3.32Å; D293-Q357 PolarHBondContact OD1-NE2 3.12Å; D293-Q357 PolarHBondContact OD1-OE1 2.75Å |
| 294 | L | 89.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.5 | 171.3 | -61.5 | 158.7 | 0 | 0 | 0 | 109.3 | W287 Q288 Q289 S355 L356 W365 L368 | W287-L294 HydrophobicContact CE3-CD2 3.84Å; W287-L294 HydrophobicContact CZ3-CD2 3.73Å; Q288-L294 CarbonylContact O-C 3.58Å; Q288-L294 WeakPolarHBondContact O-CA 3.3Å; Q289-L294 HydrophobicContact CB-CD2 3.35Å; Q289-L294 HydrophobicContact CB-CG 4.48Å; L294-S355 CarbonylContact O-C 3.58Å; L294-S355 WeakPolarHBondContact O-CA 3.33Å; L294-L356 HydrophobicContact CB-CB 4.15Å; L294-L356 HydrophobicContact CD1-CB 4.46Å; L294-L356 HydrophobicContact CD1-CD1 4.35Å; L294-L356 PolarHBondContact N-O 3.38Å; L294-L356 PolarHBondContact O-N 3.45Å; L294-W365 HydrophobicContact CD1-CD2 3.85Å; L294-W365 HydrophobicContact CD1-CE3 3.55Å; L294-W365 HydrophobicContact CD1-CH2 3.62Å; L294-W365 HydrophobicContact CD1-CZ2 3.91Å; L294-W365 HydrophobicContact CD1-CZ3 3.45Å; L294-W365 VanDerWaalsContact CD1-CZ3 3.45Å; L294-W365 HydrophobicContact CD2-CD2 4.47Å; L294-W365 HydrophobicContact CD2-CE3 4.46Å; L294-L368 HydrophobicContact CD1-CD1 4.09Å |
| 295 | T | 89 | Confident | 80.5 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.8 | 171.9 | -58.3 | 0 | 0 | 0 | 0 | 108.8 | W287 Q288 E353 V354 | W287-T295 CarbonylContact C-O 3.59Å; W287-T295 WeakPolarHBondContact CA-O 3.28Å; Q288-T295 PolarHBondContact N-O 3.31Å; Q288-T295 PolarHBondContact O-N 3.27Å; T295-E353 HydrophobicContact CG2-CG 3.69Å; T295-V354 CarbonylContact C-O 3.6Å; T295-V354 WeakPolarHBondContact CA-O 3.49Å |
| 296 | V | 89.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.4 | -175.1 | -172.9 | 0 | 0 | 0 | 0 | 109 | Y285 F286 W287 I298 L329 E353 V354 L368 | Y285-V296 HydrophobicContact CD2-CG1 3.72Å; Y285-V296 HydrophobicContact CE2-CG1 4.49Å; Y285-V296 HydrophobicContact CG-CG1 4.27Å; F286-V296 CarbonylContact O-C 3.54Å; F286-V296 WeakPolarHBondContact O-CA 3.48Å; W287-V296 HydrophobicContact CB-CB 4.31Å; W287-V296 HydrophobicContact CB-CG1 4.28Å; W287-V296 HydrophobicContact CB-CG2 4Å; V296-I298 HydrophobicContact CG1-CG1 4.21Å; V296-L329 HydrophobicContact CG1-CD2 4.26Å; V296-E353 CarbonylContact O-C 3.44Å; V296-E353 VanDerWaalsContact O-CA 3.31Å; V296-E353 WeakPolarHBondContact O-CA 3.48Å; V296-V354 HydrophobicContact CB-CB 4.18Å; V296-V354 PolarHBondContact N-O 2.79Å; V296-V354 PolarHBondContact O-N 2.88Å; V296-L368 HydrophobicContact CB-CD2 4.36Å; V296-L368 HydrophobicContact CG1-CD2 3.85Å; V296-L368 HydrophobicContact CG2-CD1 3.91Å; V296-L368 HydrophobicContact CG2-CD2 3.54Å; V296-L368 HydrophobicContact CG2-CG 4.39Å |
| 297 | C | 85.9 | Confident | 80 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.3 | -179.1 | -65.8 | 0 | 0 | 0 | 0 | 110.2 | Y285 F286 L352 | Y285-C297 CarbonylContact C-O 3.46Å; Y285-C297 VanDerWaalsContact CA-O 3.23Å; Y285-C297 WeakPolarHBondContact CA-O 3.31Å; F286-C297 PolarHBondContact N-O 3.19Å; F286-C297 PolarHBondContact O-N 3.12Å; C297-L352 CarbonylContact C-O 3.59Å; C297-L352 WeakPolarHBondContact CA-O 3.31Å |
| 298 | I | 85.3 | Confident | 79.6 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.2 | -179.6 | -48 | -178.9 | 0 | 0 | 0 | 108.8 | V296 V320 L328 L329 S351 L352 | V296-I298 HydrophobicContact CG1-CG1 4.21Å; I298-V320 HydrophobicContact CD1-CG1 3.42Å; I298-V320 VanDerWaalsContact CD1-CG1 3.42Å; I298-V320 HydrophobicContact CD1-CG2 4.34Å; I298-L328 HydrophobicContact CG2-CB 4.34Å; I298-L328 HydrophobicContact CG2-CD1 4.14Å; I298-L329 HydrophobicContact CD1-CB 4.22Å; I298-L329 HydrophobicContact CD1-CD2 4.32Å; I298-S351 CarbonylContact O-C 3.49Å; I298-S351 WeakPolarHBondContact O-CA 3.4Å; I298-L352 HydrophobicContact CB-CB 4.34Å; I298-L352 PolarHBondContact N-O 3.34Å; I298-L352 PolarHBondContact O-N 3.49Å |
| 299 | R | 77.6 | Confident | 79.5 | Confident | 135 Ų | 135 | 61.3 Ų | 61.3 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 128.5 | 175.7 | -70.3 | -177.2 | 179.9 | 174 | 1 | 110.4 | E282 | E282-R299 IonicContact OE1-NH1 2.69Å; E282-R299 PolarHBondContact OE1-NH1 3.04Å; E282-R299 IonicContact OE2-NH1 3.26Å; E282-R299 PolarHBondContact OE2-NH1 2.99Å |
| 300 | L | 73.3 | Confident | 79.4 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | trans | -101 | 144.6 | 175.2 | -62 | 177.5 | 0 | 0 | 0 | 110 | G302 V304 V322 L328 N350 L352 | L300-G302 PolarHBondContact O-N 3.09Å; L300-V304 HydrophobicContact CB-CG2 4.36Å; L300-V304 HydrophobicContact CD1-CB 4.15Å; L300-V304 HydrophobicContact CD1-CG1 4.42Å; L300-V304 HydrophobicContact CD1-CG2 4.32Å; L300-V322 HydrophobicContact CD2-CG2 4.36Å; L300-L328 HydrophobicContact CD2-CD1 3.78Å; L300-N350 PolarHBondContact N-O 2.98Å; L300-L352 HydrophobicContact CD1-CB 4Å; L300-L352 HydrophobicContact CD2-CB 4.29Å; L300-L352 HydrophobicContact CG-CB 4.11Å | ||
| 301 | R | 62.6 | Low | 79.7 | Confident | 246 Ų | 246 | 61.8 Ų | 61.8 | 93% | 0.928 | 34% | 0.343 | S | S | * | . | trans | -77.3 | 106.6 | 168.4 | -62.5 | -178.1 | 179.9 | -179.2 | -1 | 106.3 | ||||
| 302 | G | 59.7 | Low | 80 | Confident | 51 Ų | 51 | 67 Ų | 67 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -44.3 | 155.4 | -159.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | L300 N350 | L300-G302 PolarHBondContact O-N 3.09Å; G302-N350 WeakPolarHBondContact CA-OD1 3.19Å |
| 303 | G | 64.5 | Low | 80.4 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 74% | 0.742 | 35% | 0.346 | S | S | * | . | trans | 97.6 | 16 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 304 | V | 73.1 | Confident | 80.6 | Confident | 26 Ų | 26 | 67 Ų | 67 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | trans | -80.7 | 118.5 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 110 | L300 D308 V309 V322 | L300-V304 HydrophobicContact CB-CG2 4.36Å; L300-V304 HydrophobicContact CD1-CB 4.15Å; L300-V304 HydrophobicContact CD1-CG1 4.42Å; L300-V304 HydrophobicContact CD1-CG2 4.32Å; V304-D308 HydrophobicContact CG1-CB 4.06Å; V304-V309 HydrophobicContact CG1-CG2 3.95Å; V304-V322 HydrophobicContact CG1-CG1 4.4Å; V304-V322 HydrophobicContact CG1-CG2 4.21Å; V304-V322 HydrophobicContact CG2-CG2 4.19Å | ||
| 305 | A | 76.1 | Confident | 80.5 | Confident | 45 Ų | 45 | 69 Ų | 69 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | trans | -77.3 | 156.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E307 D308 | A305-E307 PolarHBondContact O-N 2.93Å; A305-D308 PolarHBondContact N-OD2 2.74Å; A305-D308 PolarHBondContact O-N 2.96Å | ||
| 306 | K | 76.7 | Confident | 80.5 | Confident | 154 Ų | 154 | 70.9 Ų | 70.9 | 67% | 0.67 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -55.1 | -30.5 | 178.4 | -169 | 179.8 | 179.2 | 176.7 | 0 | 112.6 | D308 W344 | K306-D308 VanDerWaalsContact C-N 3.27Å; K306-D308 PolarHBondContact O-N 3.11Å; K306-W344 HydrophobicContact CG-CH2 3.54Å; K306-W344 HydrophobicContact CG-CZ2 4.47Å; K306-W344 HydrophobicContact CG-CZ3 4.05Å |
| 307 | E | 79.4 | Confident | 80.5 | Confident | 157 Ų | 157 | 73 Ų | 73 | 73% | 0.734 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -72 | -20.5 | -178.3 | -62.6 | 161.8 | -139.3 | 0 | 0 | 113.5 | A305 R323 | A305-E307 PolarHBondContact O-N 2.93Å; E307-R323 PolarHBondContact O-NH1 3.45Å |
| 308 | D | 81.5 | Confident | 80.8 | Confident | 68 Ų | 68 | 71 Ų | 71 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -92.4 | -8.4 | -177.8 | -60.5 | -41.7 | 0 | 0 | 0 | 112.6 | V304 A305 K306 S310 V322 R323 | V304-D308 HydrophobicContact CG1-CB 4.06Å; A305-D308 PolarHBondContact N-OD2 2.74Å; A305-D308 PolarHBondContact O-N 2.96Å; K306-D308 VanDerWaalsContact C-N 3.27Å; K306-D308 PolarHBondContact O-N 3.11Å; D308-S310 PolarHBondContact O-N 2.79Å; D308-V322 HydrophobicContact CB-CG1 4.25Å; D308-V322 CarbonylContact O-C 3.56Å; D308-V322 WeakPolarHBondContact O-CA 3.42Å; D308-R323 WeakPolarHBondContact O-CB 3.02Å; D308-R323 PolarHBondContact O-N 3.44Å |
| 309 | V | 84.1 | Confident | 80.9 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123.2 | 178 | -180 | 0 | 0 | 0 | 0 | 109.9 | V304 W344 I346 L352 | V304-V309 HydrophobicContact CG1-CG2 3.95Å; V309-W344 HydrophobicContact CB-CH2 3.45Å; V309-W344 VanDerWaalsContact CB-CH2 3.45Å; V309-W344 HydrophobicContact CB-CZ2 3.91Å; V309-W344 HydrophobicContact CB-CZ3 3.86Å; V309-W344 HydrophobicContact CG1-CD2 4.22Å; V309-W344 HydrophobicContact CG1-CE3 4.12Å; V309-W344 HydrophobicContact CG1-CH2 3.72Å; V309-W344 HydrophobicContact CG1-CZ2 3.85Å; V309-W344 HydrophobicContact CG1-CZ3 3.87Å; V309-W344 HydrophobicContact CG2-CH2 3.84Å; V309-W344 HydrophobicContact CG2-CZ3 3.81Å; V309-I346 HydrophobicContact CG2-CD1 4.02Å; V309-L352 HydrophobicContact CG1-CD1 4.26Å; V309-L352 HydrophobicContact CG1-CD2 4.21Å |
| 310 | S | 84.5 | Confident | 81.4 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 110.8 | 169.3 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | D308 V320 G321 | D308-S310 PolarHBondContact O-N 2.79Å; S310-V320 CarbonylContact O-C 3.57Å; S310-V320 WeakPolarHBondContact O-CA 3.16Å; S310-G321 PolarHBondContact N-O 2.99Å; S310-G321 PolarHBondContact O-N 3.24Å |
| 311 | F | 90 | Very high | 81.9 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 21% | 0.211 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.1 | 175.9 | -178.5 | -96.6 | 0 | 0 | 0 | 110.1 | L313 L318 V320 W344 V354 | F311-L313 HydrophobicContact CE1-CB 3.62Å; F311-L313 HydrophobicContact CE1-CD2 4.3Å; F311-L313 HydrophobicContact CZ-CB 3.77Å; F311-L313 HydrophobicContact CZ-CD2 4.05Å; F311-L313 HydrophobicContact CZ-CG 4.39Å; F311-L318 HydrophobicContact CD2-CD1 4.33Å; F311-L318 HydrophobicContact CE2-CD1 3.6Å; F311-L318 HydrophobicContact CZ-CD1 4.13Å; F311-V320 HydrophobicContact CD2-CB 4.12Å; F311-V320 HydrophobicContact CD2-CG2 4.01Å; F311-W344 HydrophobicContact CB-CG 4.37Å; F311-W344 AromaticContact CD1-CD1 3.39Å; F311-W344 AromaticContact CD1-NE1 3.73Å; F311-W344 HydrophobicContact CD2-CB 4.31Å; F311-W344 AromaticContact CD2-CD1 3.59Å; F311-W344 HydrophobicContact CD2-CG 4.07Å; F311-W344 AromaticContact CE1-CD1 3.86Å; F311-W344 HydrophobicContact CE2-CB 4.34Å; F311-W344 HydrophobicContact CE2-CG 4.49Å; F311-W344 AromaticContact CG-CD1 3.22Å; F311-W344 HydrophobicContact CG-CG 4.08Å; F311-W344 AromaticContact CG-NE1 3.53Å; F311-V354 HydrophobicContact CE2-CG1 3.61Å; F311-V354 HydrophobicContact CE2-CG2 4.15Å; F311-V354 HydrophobicContact CZ-CG1 4.06Å |
| 312 | R | 87.9 | Confident | 82.9 | Confident | 160 Ų | 160 | 53.9 Ų | 53.9 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127.6 | 172.3 | -69.4 | -173.9 | -73.6 | -133.5 | 0.9 | 108.8 | S319 | R312-S319 PolarHBondContact N-O 2.98Å; R312-S319 PolarHBondContact O-N 3.46Å |
| 313 | L | 90.9 | Very high | 83.6 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 127.1 | 179.3 | -176.8 | 69 | 0 | 0 | 0 | 108.8 | F311 L318 L333 V337 P339 L356 | F311-L313 HydrophobicContact CE1-CB 3.62Å; F311-L313 HydrophobicContact CE1-CD2 4.3Å; F311-L313 HydrophobicContact CZ-CB 3.77Å; F311-L313 HydrophobicContact CZ-CD2 4.05Å; F311-L313 HydrophobicContact CZ-CG 4.39Å; L313-L318 HydrophobicContact CD1-CB 4.21Å; L313-L318 HydrophobicContact CD1-CD1 3.99Å; L313-L333 HydrophobicContact CD1-CD1 4.13Å; L313-V337 HydrophobicContact CD1-CG2 4.01Å; L313-V337 HydrophobicContact CD2-CG2 4.41Å; L313-V337 HydrophobicContact CG-CG2 4.39Å; L313-P339 HydrophobicContact CD2-CB 4.3Å; L313-P339 HydrophobicContact CG-CB 4.38Å; L313-L356 HydrophobicContact CD1-CD2 3.85Å; L313-L356 HydrophobicContact CD2-CD2 3.78Å |
| 314 | T | 90.7 | Very high | 83.9 | Confident | 62 Ų | 62 | 60 Ų | 60 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | trans | -109.2 | 177.5 | 163.8 | 64.9 | 0 | 0 | 0 | 0 | 108.8 | D316 S317 | T314-D316 PolarHBondContact O-N 2.85Å; T314-D316 VanDerWaalsContact O-N 3.1Å; T314-D316 PolarHBondContact OG1-N 3.19Å; T314-D316 PolarHBondContact OG1-OD1 2.88Å; T314-S317 PolarHBondContact N-O 2.71Å; T314-S317 WeakPolarHBondContact OG1-CB 3.35Å; T314-S317 PolarHBondContact OG1-N 3.37Å; T314-S317 PolarHBondContact OG1-O 3.26Å; T314-S317 PolarHBondContact OG1-OG 2.69Å | ||
| 315 | A | 87.7 | Confident | 84 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 35% | 0.347 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -57.8 | -25.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S336 V337 | A315-S336 CarbonylContact O-C 3.54Å; A315-S336 WeakPolarHBondContact O-CA 3.22Å; A315-V337 WeakPolarHBondContact CA-O 3.41Å; A315-V337 PolarHBondContact O-N 2.84Å |
| 316 | D | 89.5 | Confident | 83.9 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -129.7 | -0.9 | -169.7 | 61.9 | -21 | 0 | 0 | 0 | 114.4 | T314 Q332 L333 | T314-D316 PolarHBondContact O-N 2.85Å; T314-D316 VanDerWaalsContact O-N 3.1Å; T314-D316 PolarHBondContact OG1-N 3.19Å; T314-D316 PolarHBondContact OG1-OD1 2.88Å; D316-Q332 CarbonylContact O-C 3.57Å; D316-Q332 WeakPolarHBondContact O-CA 3.17Å; D316-Q332 WeakPolarHBondContact O-CG 3.4Å; D316-L333 PolarHBondContact O-N 2.98Å |
| 317 | S | 89.4 | Confident | 84 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 144.9 | -177.6 | 78 | 0 | 0 | 0 | 0 | 112.5 | T314 G331 | T314-S317 PolarHBondContact N-O 2.71Å; T314-S317 WeakPolarHBondContact OG1-CB 3.35Å; T314-S317 PolarHBondContact OG1-N 3.37Å; T314-S317 PolarHBondContact OG1-O 3.26Å; T314-S317 PolarHBondContact OG1-OG 2.69Å; S317-G331 WeakPolarHBondContact CA-O 3.32Å |
| 318 | L | 91.6 | Very high | 84.1 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.3 | 178.5 | 172.1 | 67.2 | 0 | 0 | 0 | 108.9 | F311 L313 V320 L329 E330 G331 L333 L356 | F311-L318 HydrophobicContact CD2-CD1 4.33Å; F311-L318 HydrophobicContact CE2-CD1 3.6Å; F311-L318 HydrophobicContact CZ-CD1 4.13Å; L313-L318 HydrophobicContact CD1-CB 4.21Å; L313-L318 HydrophobicContact CD1-CD1 3.99Å; L318-V320 HydrophobicContact CD1-CB 4.48Å; L318-V320 HydrophobicContact CG-CG1 4.45Å; L318-L329 HydrophobicContact CD2-CD2 3.75Å; L318-L329 HydrophobicContact CD2-CG 4.31Å; L318-E330 CarbonylContact O-C 3.13Å; L318-E330 VanDerWaalsContact O-CA 3.25Å; L318-E330 WeakPolarHBondContact O-CA 2.99Å; L318-G331 PolarHBondContact N-O 3.13Å; L318-G331 PolarHBondContact O-N 3.43Å; L318-L333 HydrophobicContact CB-CD1 4.47Å; L318-L333 HydrophobicContact CB-CD2 3.85Å; L318-L333 HydrophobicContact CB-CG 4.21Å; L318-L333 HydrophobicContact CD2-CD2 4.41Å; L318-L356 HydrophobicContact CD2-CD1 4.45Å |
| 319 | S | 88.6 | Confident | 84.2 | Confident | 8 Ų | 8 | 58 Ų | 58 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 113.3 | 171.5 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | R312 L329 E330 | R312-S319 PolarHBondContact N-O 2.98Å; R312-S319 PolarHBondContact O-N 3.46Å; S319-L329 CarbonylContact C-O 3.51Å; S319-L329 WeakPolarHBondContact CA-O 3.33Å; S319-E330 PolarHBondContact OG-OE1 2.98Å |
| 320 | V | 88 | Confident | 84.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.8 | -176.3 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | I298 S310 F311 L318 L328 L329 L352 V354 | I298-V320 HydrophobicContact CD1-CG1 3.42Å; I298-V320 VanDerWaalsContact CD1-CG1 3.42Å; I298-V320 HydrophobicContact CD1-CG2 4.34Å; S310-V320 CarbonylContact O-C 3.57Å; S310-V320 WeakPolarHBondContact O-CA 3.16Å; F311-V320 HydrophobicContact CD2-CB 4.12Å; F311-V320 HydrophobicContact CD2-CG2 4.01Å; L318-V320 HydrophobicContact CD1-CB 4.48Å; L318-V320 HydrophobicContact CG-CG1 4.45Å; V320-L328 PolarHBondContact O-N 3.18Å; V320-L329 HydrophobicContact CG1-CB 3.68Å; V320-L329 HydrophobicContact CG1-CD2 4.33Å; V320-L329 HydrophobicContact CG1-CG 4.32Å; V320-L329 PolarHBondContact N-O 2.67Å; V320-L329 PolarHBondContact O-N 3.44Å; V320-L352 HydrophobicContact CG2-CD2 3.27Å; V320-V354 HydrophobicContact CG2-CG2 4.43Å |
| 321 | G | 83.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 62 Ų | 62 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | -169 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | S310 | S310-G321 PolarHBondContact N-O 2.99Å; S310-G321 PolarHBondContact O-N 3.24Å |
| 322 | V | 82.3 | Confident | 84.4 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | L300 V304 D308 G324 Y325 L328 | L300-V322 HydrophobicContact CD2-CG2 4.36Å; V304-V322 HydrophobicContact CG1-CG1 4.4Å; V304-V322 HydrophobicContact CG1-CG2 4.21Å; V304-V322 HydrophobicContact CG2-CG2 4.19Å; D308-V322 HydrophobicContact CB-CG1 4.25Å; D308-V322 CarbonylContact O-C 3.56Å; D308-V322 WeakPolarHBondContact O-CA 3.42Å; V322-G324 PolarHBondContact O-N 3.28Å; V322-Y325 HydrophobicContact CB-CD2 4.33Å; V322-Y325 HydrophobicContact CG1-CD2 4.2Å; V322-Y325 PolarHBondContact O-N 2.81Å; V322-L328 HydrophobicContact CG2-CD1 4.48Å |
| 323 | R | 75.5 | Confident | 84.5 | Confident | 173 Ų | 173 | 57.8 Ų | 57.8 | 65% | 0.653 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 129.4 | -179.9 | -172.5 | -178.4 | -76.8 | 158.6 | -1.5 | 109.8 | E307 D308 | E307-R323 PolarHBondContact O-NH1 3.45Å; D308-R323 WeakPolarHBondContact O-CB 3.02Å; D308-R323 PolarHBondContact O-N 3.44Å |
| 324 | G | 70.8 | Confident | 84.3 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 83% | 0.825 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -6.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V322 | V322-G324 PolarHBondContact O-N 3.28Š|
| 325 | Y | 75.4 | Confident | 84.1 | Confident | 181 Ų | 181 | 59.9 Ų | 59.9 | 71% | 0.71 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -119.6 | 162.4 | 173.7 | -67.4 | -85.6 | 0 | 0 | 0 | 111.3 | V322 | V322-Y325 HydrophobicContact CB-CD2 4.33Å; V322-Y325 HydrophobicContact CG1-CD2 4.2Å; V322-Y325 PolarHBondContact O-N 2.81Å |
| 326 | P | 74.2 | Confident | 84.1 | Confident | 105 Ų | 105 | 60.7 Ų | 60.7 | 68% | 0.682 | 34% | 0.335 | S | S | * | . | trans | -56.3 | 145.5 | 169.4 | -22.3 | 33.1 | 0 | 0 | 0 | 111.5 | L328 | P326-L328 PolarHBondContact O-N 3.4Š| ||
| 327 | P | 79.1 | Confident | 84.2 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | trans | -59.6 | 138.7 | 178.4 | 22.9 | -29.6 | 0 | 0 | 0 | 110.8 | E330 | P327-E330 HydrophobicContact CB-CB 4.06Å; P327-E330 HydrophobicContact CG-CB 3.98Å; P327-E330 WeakPolarHBondContact CG-OE2 3.5Å | ||
| 328 | L | 81.2 | Confident | 84.2 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -75.9 | -34.8 | -178.1 | -67.2 | 173.5 | 0 | 0 | 0 | 111.3 | I298 L300 V320 V322 P326 | I298-L328 HydrophobicContact CG2-CB 4.34Å; I298-L328 HydrophobicContact CG2-CD1 4.14Å; L300-L328 HydrophobicContact CD2-CD1 3.78Å; V320-L328 PolarHBondContact O-N 3.18Å; V322-L328 HydrophobicContact CG2-CD1 4.48Å; P326-L328 PolarHBondContact O-N 3.4Å |
| 329 | L | 83.7 | Confident | 84 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 120.4 | 174.3 | 173.1 | 63.2 | 0 | 0 | 0 | 108.3 | Y285 V296 I298 L318 S319 V320 L368 V369 N372 | Y285-L329 HydrophobicContact CD1-CD1 4.23Å; Y285-L329 HydrophobicContact CD1-CD2 4.34Å; Y285-L329 HydrophobicContact CD2-CD2 4.4Å; Y285-L329 HydrophobicContact CE1-CD1 3.59Å; Y285-L329 HydrophobicContact CE1-CD2 4.3Å; Y285-L329 HydrophobicContact CE1-CG 4.46Å; Y285-L329 HydrophobicContact CE2-CD2 4.34Å; Y285-L329 HydrophobicContact CG-CD2 4.39Å; V296-L329 HydrophobicContact CG1-CD2 4.26Å; I298-L329 HydrophobicContact CD1-CB 4.22Å; I298-L329 HydrophobicContact CD1-CD2 4.32Å; L318-L329 HydrophobicContact CD2-CD2 3.75Å; L318-L329 HydrophobicContact CD2-CG 4.31Å; S319-L329 CarbonylContact C-O 3.51Å; S319-L329 WeakPolarHBondContact CA-O 3.33Å; V320-L329 HydrophobicContact CG1-CB 3.68Å; V320-L329 HydrophobicContact CG1-CD2 4.33Å; V320-L329 HydrophobicContact CG1-CG 4.32Å; V320-L329 PolarHBondContact N-O 2.67Å; V320-L329 PolarHBondContact O-N 3.44Å; L329-L368 HydrophobicContact CD2-CD2 3.89Å; L329-V369 HydrophobicContact CD1-CB 4.49Å; L329-V369 HydrophobicContact CD1-CG2 3.89Å; L329-V369 HydrophobicContact CG-CG2 4.41Å; L329-N372 WeakPolarHBondContact CD1-ND2 3.34Å |
| 330 | E | 86 | Confident | 84 | Confident | 109 Ų | 109 | 68.6 Ų | 68.6 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 136.6 | 178.2 | -179.9 | 164.3 | -120.9 | 0 | 0 | 110.3 | L318 S319 P327 | L318-E330 CarbonylContact O-C 3.13Å; L318-E330 VanDerWaalsContact O-CA 3.25Å; L318-E330 WeakPolarHBondContact O-CA 2.99Å; S319-E330 PolarHBondContact OG-OE1 2.98Å; P327-E330 HydrophobicContact CB-CB 4.06Å; P327-E330 HydrophobicContact CG-CB 3.98Å; P327-E330 WeakPolarHBondContact CG-OE2 3.5Å |
| 331 | G | 87.3 | Confident | 83.9 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 26% | 0.258 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 156 | -175 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S317 L318 | S317-G331 WeakPolarHBondContact CA-O 3.32Å; L318-G331 PolarHBondContact N-O 3.13Å; L318-G331 PolarHBondContact O-N 3.43Å |
| 332 | Q | 88.5 | Confident | 84.1 | Confident | 116 Ų | 116 | 71.8 Ų | 71.8 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.8 | 178 | -171.4 | 177.1 | -4.6 | 0 | 0 | 110.4 | D316 V369 L370 | D316-Q332 CarbonylContact O-C 3.57Å; D316-Q332 WeakPolarHBondContact O-CA 3.17Å; D316-Q332 WeakPolarHBondContact O-CG 3.4Å; Q332-V369 CarbonylContact O-C 3.6Å; Q332-V369 VanDerWaalsContact O-CA 3.28Å; Q332-V369 WeakPolarHBondContact O-CA 3.36Å; Q332-V369 WeakPolarHBondContact O-CG1 3.42Å; Q332-L370 HydrophobicContact CB-CD1 4.44Å; Q332-L370 HydrophobicContact CG-CD1 4.12Å; Q332-L370 PolarHBondContact O-N 3.15Å |
| 333 | L | 89.7 | Confident | 84.4 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 152.9 | 175 | -65.9 | 172.4 | 0 | 0 | 0 | 110.7 | L313 D316 L318 A335 V337 L356 W365 L368 V369 | L313-L333 HydrophobicContact CD1-CD1 4.13Å; D316-L333 PolarHBondContact O-N 2.98Å; L318-L333 HydrophobicContact CB-CD1 4.47Å; L318-L333 HydrophobicContact CB-CD2 3.85Å; L318-L333 HydrophobicContact CB-CG 4.21Å; L318-L333 HydrophobicContact CD2-CD2 4.41Å; L333-A335 VanDerWaalsContact C-N 3.33Å; L333-A335 PolarHBondContact O-N 2.86Å; L333-V337 HydrophobicContact CD1-CB 4.42Å; L333-V337 HydrophobicContact CD1-CG1 3.98Å; L333-V337 HydrophobicContact CD1-CG2 3.53Å; L333-L356 HydrophobicContact CD2-CD1 4.23Å; L333-W365 HydrophobicContact CB-CH2 4Å; L333-W365 HydrophobicContact CB-CZ3 4.04Å; L333-W365 HydrophobicContact CD2-CZ3 4.24Å; L333-L368 WeakPolarHBondContact CA-O 3.32Å; L333-L368 HydrophobicContact CD2-CD1 4.48Å; L333-V369 HydrophobicContact CD2-CG2 4.36Å |
| 334 | Y | 87.4 | Confident | 85.2 | Confident | 95 Ų | 95 | 66.2 Ų | 66.2 | 37% | 0.373 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -62.6 | -38.3 | 179.4 | 173.5 | -93.2 | 0 | 0 | 0 | 113.1 | W365 P366 E367 L368 L370 | Y334-W365 HydrophobicContact CD1-CB 4Å; Y334-W365 AromaticContact CD1-CD1 3.76Å; Y334-W365 AromaticContact CD1-CD2 3.78Å; Y334-W365 HydrophobicContact CD1-CD2 3.78Å; Y334-W365 HydrophobicContact CD1-CE3 4.36Å; Y334-W365 AromaticContact CD1-CG 3.59Å; Y334-W365 HydrophobicContact CD1-CG 3.59Å; Y334-W365 HydrophobicContact CE1-CG 4.3Å; Y334-W365 HydrophobicContact CG-CB 4.46Å; Y334-W365 HydrophobicContact CG-CD2 4.29Å; Y334-W365 HydrophobicContact CG-CE3 4.42Å; Y334-W365 HydrophobicContact CG-CG 4.32Å; Y334-P366 HydrophobicContact CD2-CG 3.86Å; Y334-P366 HydrophobicContact CE1-CG 4.43Å; Y334-P366 HydrophobicContact CE2-CG 3.33Å; Y334-E367 WeakPolarHBondContact CB-O 3.26Å; Y334-E367 HydrophobicContact CD2-CG 4.09Å; Y334-L368 PolarHBondContact N-O 3.02Å; Y334-L370 HydrophobicContact CD2-CD2 3.81Å |
| 335 | A | 86.6 | Confident | 85.9 | Confident | 41 Ų | 41 | 66 Ų | 66 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -145.3 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L333 W365 | L333-A335 VanDerWaalsContact C-N 3.33Å; L333-A335 PolarHBondContact O-N 2.86Å; A335-W365 HydrophobicContact CB-CH2 4.4Å; A335-W365 HydrophobicContact CB-CZ2 3.59Å; A335-W365 WeakPolarHBondContact O-CH2 3.17Å; A335-W365 VanDerWaalsContact O-CZ2 3.27Å; A335-W365 WeakPolarHBondContact O-CZ2 3.28Å |
| 336 | S | 88.1 | Confident | 86.3 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | trans | -73.3 | 140 | -174.3 | -57.7 | 0 | 0 | 0 | 0 | 114 | A315 L359 | A315-S336 CarbonylContact O-C 3.54Å; A315-S336 WeakPolarHBondContact O-CA 3.22Å; S336-L359 WeakPolarHBondContact O-CB 3.46Å; S336-L359 PolarHBondContact O-N 3.36Å; S336-L359 VanDerWaalsContact O-N 3.08Å | ||
| 337 | V | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 160.6 | 175 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | L313 A315 L333 P339 L356 Q357 W365 | L313-V337 HydrophobicContact CD1-CG2 4.01Å; L313-V337 HydrophobicContact CD2-CG2 4.41Å; L313-V337 HydrophobicContact CG-CG2 4.39Å; A315-V337 WeakPolarHBondContact CA-O 3.41Å; A315-V337 PolarHBondContact O-N 2.84Å; L333-V337 HydrophobicContact CD1-CB 4.42Å; L333-V337 HydrophobicContact CD1-CG1 3.98Å; L333-V337 HydrophobicContact CD1-CG2 3.53Å; V337-P339 VanDerWaalsContact O-CD 3.31Å; V337-P339 WeakPolarHBondContact O-CD 3.36Å; V337-L356 HydrophobicContact CG1-CB 4.13Å; V337-Q357 CarbonylContact C-O 3.57Å; V337-Q357 WeakPolarHBondContact CA-O 3.49Å; V337-Q357 WeakPolarHBondContact CB-O 3.47Å; V337-W365 HydrophobicContact CG1-CH2 3.79Å; V337-W365 HydrophobicContact CG1-CZ2 4.17Å |
| 338 | D | 89.8 | Confident | 85.7 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 108.8 | 172.2 | -178.8 | -10.6 | 0 | 0 | 0 | 109.9 | E340 A341 S342 Q357 L359 | D338-E340 VanDerWaalsContact C-N 3.27Å; D338-E340 PolarHBondContact O-N 2.77Å; D338-E340 PolarHBondContact OD1-N 2.87Å; D338-A341 HydrophobicContact CB-CB 4.1Å; D338-A341 PolarHBondContact O-N 3.35Å; D338-A341 PolarHBondContact OD1-N 3.14Å; D338-S342 VanDerWaalsContact O-CB 3.25Å; D338-S342 WeakPolarHBondContact O-CB 3.15Å; D338-S342 PolarHBondContact O-N 2.81Å; D338-S342 VanDerWaalsContact O-N 3.14Å; D338-S342 PolarHBondContact O-OG 3.26Å; D338-Q357 HydrophobicContact CB-CB 4.28Å; D338-Q357 HydrophobicContact CB-CG 4.38Å; D338-Q357 PolarHBondContact N-O 3.36Å; D338-L359 HydrophobicContact CB-CD1 4.26Å |
| 339 | P | 88.1 | Confident | 84.8 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -23.3 | -178.1 | -19.3 | 34.5 | 0 | 0 | 0 | 114 | L313 V337 | L313-P339 HydrophobicContact CD2-CB 4.3Å; L313-P339 HydrophobicContact CG-CB 4.38Å; V337-P339 VanDerWaalsContact O-CD 3.31Å; V337-P339 WeakPolarHBondContact O-CD 3.36Å |
| 340 | E | 87.3 | Confident | 84.1 | Confident | 191 Ų | 191 | 70.7 Ų | 70.7 | 89% | 0.893 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | -32.7 | -179.6 | -63.7 | -170.3 | 173.5 | 0 | 0 | 111.6 | D338 | D338-E340 VanDerWaalsContact C-N 3.27Å; D338-E340 PolarHBondContact O-N 2.77Å; D338-E340 PolarHBondContact OD1-N 2.87Å |
| 341 | A | 85.4 | Confident | 83.9 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -3.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D338 Q357 | D338-A341 HydrophobicContact CB-CB 4.1Å; D338-A341 PolarHBondContact O-N 3.35Å; D338-A341 PolarHBondContact OD1-N 3.14Å; A341-Q357 HydrophobicContact CB-CB 3.75Å; A341-Q357 HydrophobicContact CB-CG 3.86Å |
| 342 | S | 90.1 | Very high | 83.8 | Confident | 17 Ų | 17 | 66 Ų | 66 | 12% | 0.119 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 149.4 | 179.7 | -61 | 0 | 0 | 0 | 0 | 111.7 | D338 S355 L356 Q357 | D338-S342 VanDerWaalsContact O-CB 3.25Å; D338-S342 WeakPolarHBondContact O-CB 3.15Å; D338-S342 PolarHBondContact O-N 2.81Å; D338-S342 VanDerWaalsContact O-N 3.14Å; D338-S342 PolarHBondContact O-OG 3.26Å; S342-S355 CarbonylContact C-O 3.01Å; S342-S355 VanDerWaalsContact CA-O 3.32Å; S342-S355 WeakPolarHBondContact CA-O 3.29Å; S342-S355 WeakPolarHBondContact CB-O 3.38Å; S342-L356 WeakPolarHBondContact OG-CA 3.44Å; S342-Q357 PolarHBondContact OG-N 3.26Å |
| 343 | G | 87.8 | Confident | 83.8 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | -178.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V354 S355 | G343-V354 CarbonylContact O-C 3.49Å; G343-V354 WeakPolarHBondContact O-CA 3.42Å; G343-S355 PolarHBondContact N-O 3.01Å; G343-S355 PolarHBondContact O-N 3.5Å |
| 344 | W | 91.9 | Very high | 83.8 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.8 | 177 | 64.5 | -89.4 | 0 | 0 | 0 | 111.5 | K306 V309 F311 I346 L352 E353 V354 | K306-W344 HydrophobicContact CG-CH2 3.54Å; K306-W344 HydrophobicContact CG-CZ2 4.47Å; K306-W344 HydrophobicContact CG-CZ3 4.05Å; V309-W344 HydrophobicContact CB-CH2 3.45Å; V309-W344 VanDerWaalsContact CB-CH2 3.45Å; V309-W344 HydrophobicContact CB-CZ2 3.91Å; V309-W344 HydrophobicContact CB-CZ3 3.86Å; V309-W344 HydrophobicContact CG1-CD2 4.22Å; V309-W344 HydrophobicContact CG1-CE3 4.12Å; V309-W344 HydrophobicContact CG1-CH2 3.72Å; V309-W344 HydrophobicContact CG1-CZ2 3.85Å; V309-W344 HydrophobicContact CG1-CZ3 3.87Å; V309-W344 HydrophobicContact CG2-CH2 3.84Å; V309-W344 HydrophobicContact CG2-CZ3 3.81Å; F311-W344 HydrophobicContact CB-CG 4.37Å; F311-W344 AromaticContact CD1-CD1 3.39Å; F311-W344 AromaticContact CD1-NE1 3.73Å; F311-W344 HydrophobicContact CD2-CB 4.31Å; F311-W344 AromaticContact CD2-CD1 3.59Å; F311-W344 HydrophobicContact CD2-CG 4.07Å; F311-W344 AromaticContact CE1-CD1 3.86Å; F311-W344 HydrophobicContact CE2-CB 4.34Å; F311-W344 HydrophobicContact CE2-CG 4.49Å; F311-W344 AromaticContact CG-CD1 3.22Å; F311-W344 HydrophobicContact CG-CG 4.08Å; F311-W344 AromaticContact CG-NE1 3.53Å; W344-I346 HydrophobicContact CE3-CG1 4.47Å; W344-I346 HydrophobicContact CZ3-CD1 4.12Å; W344-I346 HydrophobicContact CZ3-CG1 3.97Å; W344-L352 HydrophobicContact CB-CD1 4.4Å; W344-L352 HydrophobicContact CD2-CD1 4.15Å; W344-L352 HydrophobicContact CE3-CD1 3.39Å; W344-L352 HydrophobicContact CZ3-CD1 3.99Å; W344-E353 CarbonylContact C-O 3.57Å; W344-E353 WeakPolarHBondContact CA-O 3.43Å; W344-V354 HydrophobicContact CB-CG2 4.07Å |
| 345 | T | 86.7 | Confident | 84 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 47% | 0.466 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.9 | 176.9 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | E353 | T345-E353 PolarHBondContact N-O 2.67Å; T345-E353 PolarHBondContact O-N 2.94Å |
| 346 | I | 83.6 | Confident | 84.2 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.2 | 173.3 | -63.7 | 168.5 | 0 | 0 | 0 | 107.6 | V309 W344 S351 L352 | V309-I346 HydrophobicContact CG2-CD1 4.02Å; W344-I346 HydrophobicContact CE3-CG1 4.47Å; W344-I346 HydrophobicContact CZ3-CD1 4.12Å; W344-I346 HydrophobicContact CZ3-CG1 3.97Å; I346-S351 CarbonylContact C-O 3.54Å; I346-S351 WeakPolarHBondContact CA-O 3.26Å; I346-L352 HydrophobicContact CG1-CD1 4.05Å |
| 347 | R | 74.4 | Confident | 84.2 | Confident | 132 Ų | 132 | 57.8 Ų | 57.8 | 50% | 0.498 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.6 | 171.9 | -70 | -168.6 | -178.3 | -151.9 | 12 | 110 | S349 N350 S351 E353 | R347-S349 PolarHBondContact O-N 2.92Å; R347-N350 PolarHBondContact O-N 2.77Å; R347-S351 PolarHBondContact N-O 2.96Å; R347-S351 PolarHBondContact O-N 3.1Å; R347-S351 VanDerWaalsContact O-N 3.13Å; R347-S351 PolarHBondContact O-OG 3.44Å; R347-S351 VanDerWaalsContact O-OG 3.12Å; R347-E353 IonicContact CZ-OE1 2.73Å; R347-E353 VanDerWaalsContact CZ-OE1 3.22Å; R347-E353 IonicContact CZ-OE2 3.05Å; R347-E353 IonicContact NE-OE1 3.22Å; R347-E353 PolarHBondContact NE-OE1 3.03Å; R347-E353 IonicContact NE-OE2 3.43Å; R347-E353 PolarHBondContact NE-OE2 2.82Å; R347-E353 IonicContact NH1-OE2 3.92Å; R347-E353 VanDerWaalsContact NH2-CD 3.26Å; R347-E353 IonicContact NH2-OE1 2.91Å; R347-E353 PolarHBondContact NH2-OE1 2.87Å; R347-E353 IonicContact NH2-OE2 3Å; R347-E353 PolarHBondContact NH2-OE2 2.79Å |
| 348 | D | 65.6 | Low | 84.2 | Confident | 147 Ų | 147 | 58.4 Ų | 58.4 | 79% | 0.786 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 27.5 | 170.1 | -52.9 | -36.6 | 0 | 0 | 0 | 116.5 | N350 | D348-N350 PolarHBondContact O-N 2.86Š|
| 349 | S | 62.8 | Low | 83.9 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -1.7 | 179.5 | -38.2 | 0 | 0 | 0 | 0 | 116.6 | R347 | R347-S349 PolarHBondContact O-N 2.92Š|
| 350 | N | 68.9 | Low | 83.2 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | -0.3 | -173 | -76.8 | -7.7 | 0 | 0 | 0 | 113.9 | L300 G302 R347 D348 | L300-N350 PolarHBondContact N-O 2.98Å; G302-N350 WeakPolarHBondContact CA-OD1 3.19Å; R347-N350 PolarHBondContact O-N 2.77Å; D348-N350 PolarHBondContact O-N 2.86Å |
| 351 | S | 81.1 | Confident | 82.4 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143.5 | 176.3 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | I298 I346 R347 | I298-S351 CarbonylContact O-C 3.49Å; I298-S351 WeakPolarHBondContact O-CA 3.4Å; I346-S351 CarbonylContact C-O 3.54Å; I346-S351 WeakPolarHBondContact CA-O 3.26Å; R347-S351 PolarHBondContact N-O 2.96Å; R347-S351 PolarHBondContact O-N 3.1Å; R347-S351 VanDerWaalsContact O-N 3.13Å; R347-S351 PolarHBondContact O-OG 3.44Å; R347-S351 VanDerWaalsContact O-OG 3.12Å |
| 352 | L | 85.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.7 | 175.5 | -177.6 | 67.8 | 0 | 0 | 0 | 108.8 | C297 I298 L300 V309 V320 W344 I346 V354 | C297-L352 CarbonylContact C-O 3.59Å; C297-L352 WeakPolarHBondContact CA-O 3.31Å; I298-L352 HydrophobicContact CB-CB 4.34Å; I298-L352 PolarHBondContact N-O 3.34Å; I298-L352 PolarHBondContact O-N 3.49Å; L300-L352 HydrophobicContact CD1-CB 4Å; L300-L352 HydrophobicContact CD2-CB 4.29Å; L300-L352 HydrophobicContact CG-CB 4.11Å; V309-L352 HydrophobicContact CG1-CD1 4.26Å; V309-L352 HydrophobicContact CG1-CD2 4.21Å; V320-L352 HydrophobicContact CG2-CD2 3.27Å; W344-L352 HydrophobicContact CB-CD1 4.4Å; W344-L352 HydrophobicContact CD2-CD1 4.15Å; W344-L352 HydrophobicContact CE3-CD1 3.39Å; W344-L352 HydrophobicContact CZ3-CD1 3.99Å; I346-L352 HydrophobicContact CG1-CD1 4.05Å; L352-V354 HydrophobicContact CG-CG2 4.4Å |
| 353 | E | 88.8 | Confident | 80.5 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.7 | 175.6 | -174.6 | 173.1 | 82.8 | 0 | 0 | 109.5 | T295 V296 W344 T345 R347 | T295-E353 HydrophobicContact CG2-CG 3.69Å; V296-E353 CarbonylContact O-C 3.44Å; V296-E353 VanDerWaalsContact O-CA 3.31Å; V296-E353 WeakPolarHBondContact O-CA 3.48Å; W344-E353 CarbonylContact C-O 3.57Å; W344-E353 WeakPolarHBondContact CA-O 3.43Å; T345-E353 PolarHBondContact N-O 2.67Å; T345-E353 PolarHBondContact O-N 2.94Å; R347-E353 IonicContact CZ-OE1 2.73Å; R347-E353 VanDerWaalsContact CZ-OE1 3.22Å; R347-E353 IonicContact CZ-OE2 3.05Å; R347-E353 IonicContact NE-OE1 3.22Å; R347-E353 PolarHBondContact NE-OE1 3.03Å; R347-E353 IonicContact NE-OE2 3.43Å; R347-E353 PolarHBondContact NE-OE2 2.82Å; R347-E353 IonicContact NH1-OE2 3.92Å; R347-E353 VanDerWaalsContact NH2-CD 3.26Å; R347-E353 IonicContact NH2-OE1 2.91Å; R347-E353 PolarHBondContact NH2-OE1 2.87Å; R347-E353 IonicContact NH2-OE2 3Å; R347-E353 PolarHBondContact NH2-OE2 2.79Å |
| 354 | V | 90.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.9 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | T295 V296 F311 V320 G343 W344 L352 L356 | T295-V354 CarbonylContact C-O 3.6Å; T295-V354 WeakPolarHBondContact CA-O 3.49Å; V296-V354 HydrophobicContact CB-CB 4.18Å; V296-V354 PolarHBondContact N-O 2.79Å; V296-V354 PolarHBondContact O-N 2.88Å; F311-V354 HydrophobicContact CE2-CG1 3.61Å; F311-V354 HydrophobicContact CE2-CG2 4.15Å; F311-V354 HydrophobicContact CZ-CG1 4.06Å; V320-V354 HydrophobicContact CG2-CG2 4.43Å; G343-V354 CarbonylContact O-C 3.49Å; G343-V354 WeakPolarHBondContact O-CA 3.42Å; W344-V354 HydrophobicContact CB-CG2 4.07Å; L352-V354 HydrophobicContact CG-CG2 4.4Å; V354-L356 HydrophobicContact CG1-CD2 3.63Å; V354-L356 HydrophobicContact CG1-CG 4.07Å |
| 355 | S | 89.9 | Confident | 79.9 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.6 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | L294 S342 G343 | L294-S355 CarbonylContact O-C 3.58Å; L294-S355 WeakPolarHBondContact O-CA 3.33Å; S342-S355 CarbonylContact C-O 3.01Å; S342-S355 VanDerWaalsContact CA-O 3.32Å; S342-S355 WeakPolarHBondContact CA-O 3.29Å; S342-S355 WeakPolarHBondContact CB-O 3.38Å; G343-S355 PolarHBondContact N-O 3.01Å; G343-S355 PolarHBondContact O-N 3.5Å |
| 356 | L | 90.8 | Very high | 79.5 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.4 | 178.7 | -47.9 | 171.4 | 0 | 0 | 0 | 110.6 | D293 L294 L313 L318 L333 V337 S342 V354 L368 | D293-L356 CarbonylContact C-O 3.59Å; D293-L356 WeakPolarHBondContact CA-O 3.32Å; L294-L356 HydrophobicContact CB-CB 4.15Å; L294-L356 HydrophobicContact CD1-CB 4.46Å; L294-L356 HydrophobicContact CD1-CD1 4.35Å; L294-L356 PolarHBondContact N-O 3.38Å; L294-L356 PolarHBondContact O-N 3.45Å; L313-L356 HydrophobicContact CD1-CD2 3.85Å; L313-L356 HydrophobicContact CD2-CD2 3.78Å; L318-L356 HydrophobicContact CD2-CD1 4.45Å; L333-L356 HydrophobicContact CD2-CD1 4.23Å; V337-L356 HydrophobicContact CG1-CB 4.13Å; S342-L356 WeakPolarHBondContact OG-CA 3.44Å; V354-L356 HydrophobicContact CG1-CD2 3.63Å; V354-L356 HydrophobicContact CG1-CG 4.07Å; L356-L368 HydrophobicContact CD1-CD1 4.27Å |
| 357 | Q | 89.8 | Confident | 79.6 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 31% | 0.308 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.5 | 175.1 | -173.9 | 72.3 | 48.7 | 0 | 0 | 109.4 | D293 V337 D338 A341 S342 | D293-Q357 PolarHBondContact OD1-NE2 3.12Å; D293-Q357 PolarHBondContact OD1-OE1 2.75Å; V337-Q357 CarbonylContact C-O 3.57Å; V337-Q357 WeakPolarHBondContact CA-O 3.49Å; V337-Q357 WeakPolarHBondContact CB-O 3.47Å; D338-Q357 HydrophobicContact CB-CB 4.28Å; D338-Q357 HydrophobicContact CB-CG 4.38Å; D338-Q357 PolarHBondContact N-O 3.36Å; A341-Q357 HydrophobicContact CB-CB 3.75Å; A341-Q357 HydrophobicContact CB-CG 3.86Å; S342-Q357 PolarHBondContact OG-N 3.26Å |
| 358 | K | 90.5 | Very high | 80.1 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 6% | 0.057 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 140.9 | 174.9 | -61.9 | 172.9 | 177.3 | 176.3 | 0 | 109.7 | T290 A292 G360 W365 | T290-K358 PolarHBondContact O-NZ 3.19Å; A292-K358 WeakPolarHBondContact O-CB 3.23Å; A292-K358 VanDerWaalsContact O-CG 3.29Å; A292-K358 WeakPolarHBondContact O-CG 3.12Å; A292-K358 PolarHBondContact O-N 3.05Å; K358-G360 PolarHBondContact O-N 2.78Å; K358-W365 HydrophobicContact CG-CZ2 4.42Å |
| 359 | L | 83.5 | Confident | 81 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -71.2 | -17.4 | -178.3 | -166.7 | 67.4 | 0 | 0 | 0 | 113.3 | S336 D338 | S336-L359 WeakPolarHBondContact O-CB 3.46Å; S336-L359 PolarHBondContact O-N 3.36Å; S336-L359 VanDerWaalsContact O-N 3.08Å; D338-L359 HydrophobicContact CB-CD1 4.26Å |
| 360 | G | 73.8 | Confident | 81.8 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -154.8 | 148.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | K358 G362 | K358-G360 PolarHBondContact O-N 2.78Å; G360-G362 PolarHBondContact O-N 3.33Å |
| 361 | E | 69.7 | Low | 81.8 | Confident | 176 Ų | 176 | 51.5 Ų | 51.5 | 82% | 0.822 | 31% | 0.314 | S | S | * | . | trans | -61.5 | 120.8 | 172.5 | -68.8 | -175.5 | 178.1 | 0 | 0 | 109.2 | ||||
| 362 | G | 65.9 | Low | 81.6 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | trans | -151.2 | 178.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G360 | G360-G362 PolarHBondContact O-N 3.33Š| ||
| 363 | P | 69.7 | Low | 81.1 | Confident | 107 Ų | 107 | 63 Ų | 63 | 70% | 0.695 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -59.5 | 153.8 | 178.6 | 26.3 | -33.7 | 0 | 0 | 0 | 111.3 | W365 | P363-W365 PolarHBondContact O-N 3.29Š|
| 364 | M | 81.9 | Confident | 80.4 | Confident | 101 Ų | 101 | 69.5 Ų | 69.5 | 50% | 0.498 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 134.9 | 175.1 | -65.4 | -60.6 | -172.8 | 0 | 0 | 109.9 | Q289 | Q289-M364 HydrophobicContact CG-SD 3.65Š|
| 365 | W | 84.3 | Confident | 79.8 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 5% | 0.045 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 130.2 | 178.9 | -70.8 | 20.5 | 0 | 0 | 0 | 109.1 | W287 Q289 L294 L333 Y334 A335 V337 K358 P363 E367 L368 | W287-W365 HydrophobicContact CH2-CB 4.22Å; W287-W365 WeakPolarHBondContact CH2-O 3.43Å; W287-W365 HydrophobicContact CZ3-CB 4.29Å; Q289-W365 PolarHBondContact NE2-O 3.19Å; L294-W365 HydrophobicContact CD1-CD2 3.85Å; L294-W365 HydrophobicContact CD1-CE3 3.55Å; L294-W365 HydrophobicContact CD1-CH2 3.62Å; L294-W365 HydrophobicContact CD1-CZ2 3.91Å; L294-W365 HydrophobicContact CD1-CZ3 3.45Å; L294-W365 VanDerWaalsContact CD1-CZ3 3.45Å; L294-W365 HydrophobicContact CD2-CD2 4.47Å; L294-W365 HydrophobicContact CD2-CE3 4.46Å; L333-W365 HydrophobicContact CB-CH2 4Å; L333-W365 HydrophobicContact CB-CZ3 4.04Å; L333-W365 HydrophobicContact CD2-CZ3 4.24Å; Y334-W365 HydrophobicContact CD1-CB 4Å; Y334-W365 AromaticContact CD1-CD1 3.76Å; Y334-W365 AromaticContact CD1-CD2 3.78Å; Y334-W365 HydrophobicContact CD1-CD2 3.78Å; Y334-W365 HydrophobicContact CD1-CE3 4.36Å; Y334-W365 AromaticContact CD1-CG 3.59Å; Y334-W365 HydrophobicContact CD1-CG 3.59Å; Y334-W365 HydrophobicContact CE1-CG 4.3Å; Y334-W365 HydrophobicContact CG-CB 4.46Å; Y334-W365 HydrophobicContact CG-CD2 4.29Å; Y334-W365 HydrophobicContact CG-CE3 4.42Å; Y334-W365 HydrophobicContact CG-CG 4.32Å; A335-W365 HydrophobicContact CB-CH2 4.4Å; A335-W365 HydrophobicContact CB-CZ2 3.59Å; A335-W365 WeakPolarHBondContact O-CH2 3.17Å; A335-W365 VanDerWaalsContact O-CZ2 3.27Å; A335-W365 WeakPolarHBondContact O-CZ2 3.28Å; V337-W365 HydrophobicContact CG1-CH2 3.79Å; V337-W365 HydrophobicContact CG1-CZ2 4.17Å; K358-W365 HydrophobicContact CG-CZ2 4.42Å; P363-W365 PolarHBondContact O-N 3.29Å; W365-E367 VanDerWaalsContact C-N 3.32Å; W365-L368 HydrophobicContact CZ3-CD1 4.37Å |
| 366 | P | 79.2 | Confident | 79.5 | Confident | 89 Ų | 89 | 72.9 Ų | 72.9 | 58% | 0.578 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -75.8 | -24.4 | 174.7 | 30.3 | -32.8 | 0 | 0 | 0 | 112 | Y334 | Y334-P366 HydrophobicContact CD2-CG 3.86Å; Y334-P366 HydrophobicContact CE1-CG 4.43Å; Y334-P366 HydrophobicContact CE2-CG 3.33Å |
| 367 | E | 85 | Confident | 79.1 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 28% | 0.28 | 41% | 0.41 | S | S | . | . | trans | -148.6 | 154 | 177.9 | 60.6 | -173.2 | 160.6 | 0 | 0 | 110.4 | Y334 W365 L370 G371 | Y334-E367 WeakPolarHBondContact CB-O 3.26Å; Y334-E367 HydrophobicContact CD2-CG 4.09Å; W365-E367 VanDerWaalsContact C-N 3.32Å; E367-L370 HydrophobicContact CG-CD2 4.33Å; E367-L370 VanDerWaalsContact OE1-CD2 3.27Å; E367-L370 WeakPolarHBondContact OE1-CD2 3.48Å; E367-G371 PolarHBondContact OE2-N 3.2Å | ||
| 368 | L | 85 | Confident | 78.6 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -80.6 | -50.6 | 179.4 | -179.5 | 70.7 | 0 | 0 | 0 | 111.9 | Y285 W287 L294 V296 L329 L333 Y334 L356 W365 | Y285-L368 HydrophobicContact CD2-CD2 4.11Å; Y285-L368 HydrophobicContact CE2-CB 4.36Å; Y285-L368 HydrophobicContact CE2-CD2 3.52Å; W287-L368 HydrophobicContact CB-CD2 4.5Å; W287-L368 HydrophobicContact CD2-CB 4.04Å; W287-L368 HydrophobicContact CE3-CB 4.39Å; W287-L368 HydrophobicContact CE3-CD1 4.41Å; W287-L368 HydrophobicContact CG-CB 4.37Å; W287-L368 HydrophobicContact CG-CD2 4.46Å; W287-L368 HydrophobicContact CZ2-CB 4.42Å; L294-L368 HydrophobicContact CD1-CD1 4.09Å; V296-L368 HydrophobicContact CB-CD2 4.36Å; V296-L368 HydrophobicContact CG1-CD2 3.85Å; V296-L368 HydrophobicContact CG2-CD1 3.91Å; V296-L368 HydrophobicContact CG2-CD2 3.54Å; V296-L368 HydrophobicContact CG2-CG 4.39Å; L329-L368 HydrophobicContact CD2-CD2 3.89Å; L333-L368 WeakPolarHBondContact CA-O 3.32Å; L333-L368 HydrophobicContact CD2-CD1 4.48Å; Y334-L368 PolarHBondContact N-O 3.02Å; L356-L368 HydrophobicContact CD1-CD1 4.27Å; W365-L368 HydrophobicContact CZ3-CD1 4.37Å |
| 369 | V | 85.9 | Confident | 77.9 | Confident | 4 Ų | 4 | 78.7 Ų | 78.7 | 2% | 0.024 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -121.3 | 127.7 | 178.5 | 171.7 | 0 | 0 | 0 | 0 | 107.4 | L329 Q332 L333 G371 N372 | L329-V369 HydrophobicContact CD1-CB 4.49Å; L329-V369 HydrophobicContact CD1-CG2 3.89Å; L329-V369 HydrophobicContact CG-CG2 4.41Å; Q332-V369 CarbonylContact O-C 3.6Å; Q332-V369 VanDerWaalsContact O-CA 3.28Å; Q332-V369 WeakPolarHBondContact O-CA 3.36Å; Q332-V369 WeakPolarHBondContact O-CG1 3.42Å; L333-V369 HydrophobicContact CD2-CG2 4.36Å; V369-G371 PolarHBondContact O-N 2.89Å; V369-N372 HydrophobicContact CB-CB 3.91Å; V369-N372 HydrophobicContact CG1-CB 4Å; V369-N372 WeakPolarHBondContact O-CB 3.41Å; V369-N372 PolarHBondContact O-N 2.87Å |
| 370 | L | 78.5 | Confident | 77.2 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 39% | 0.393 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 121.3 | -174.9 | -66.4 | 176.2 | 0 | 0 | 0 | 111.2 | Q332 Y334 E367 N372 | Q332-L370 HydrophobicContact CB-CD1 4.44Å; Q332-L370 HydrophobicContact CG-CD1 4.12Å; Q332-L370 PolarHBondContact O-N 3.15Å; Y334-L370 HydrophobicContact CD2-CD2 3.81Å; E367-L370 HydrophobicContact CG-CD2 4.33Å; E367-L370 VanDerWaalsContact OE1-CD2 3.27Å; E367-L370 WeakPolarHBondContact OE1-CD2 3.48Å; L370-N372 VanDerWaalsContact C-N 3.29Å; L370-N372 PolarHBondContact O-N 2.89Å |
| 371 | G | 69.9 | Low | 76.6 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 68% | 0.68 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 3.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | E367 V369 | E367-G371 PolarHBondContact OE2-N 3.2Å; V369-G371 PolarHBondContact O-N 2.89Å |
| 372 | N | 76.1 | Confident | 76.3 | Confident | 36 Ų | 36 | 79.5 Ų | 79.5 | 19% | 0.193 | 43% | 0.425 | C | S | . | . | trans | -93.4 | 108.1 | 176 | -169.4 | -29.4 | 0 | 0 | 0 | 111.3 | L329 V369 L370 R374 | L329-N372 WeakPolarHBondContact CD1-ND2 3.34Å; V369-N372 HydrophobicContact CB-CB 3.91Å; V369-N372 HydrophobicContact CG1-CB 4Å; V369-N372 WeakPolarHBondContact O-CB 3.41Å; V369-N372 PolarHBondContact O-N 2.87Å; L370-N372 VanDerWaalsContact C-N 3.29Å; L370-N372 PolarHBondContact O-N 2.89Å; N372-R374 WeakPolarHBondContact OD1-CB 3.33Å; N372-R374 PolarHBondContact OD1-N 2.8Å | ||
| 373 | R | 73.3 | Confident | 76.2 | Confident | 240 Ų | 240 | 79.9 Ų | 79.9 | 91% | 0.906 | 42% | 0.418 | S | S | * | . | trans | -96.5 | 13 | 178.7 | -60.6 | -174.6 | 179.2 | 176 | -0.8 | 114.3 | ||||
| 374 | R | 75.8 | Confident | 75.9 | Confident | 159 Ų | 159 | 77 Ų | 77 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -93.8 | 4.2 | -173.4 | -54.1 | 175 | 74.9 | -164.9 | 3.7 | 113.8 | L284 N372 | L284-R374 HydrophobicContact CD1-CB 3.86Å; L284-R374 HydrophobicContact CD1-CG 4.43Å; L284-R374 PolarHBondContact N-O 3.27Å; N372-R374 WeakPolarHBondContact OD1-CB 3.33Å; N372-R374 PolarHBondContact OD1-N 2.8Å |
| 375 | G | 77.9 | Confident | 75.1 | Confident | 21 Ų | 21 | 74.8 Ų | 74.8 | 22% | 0.216 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y285 | Y285-G375 WeakPolarHBondContact O-CA 3.34Å |
| 376 | E | 82.1 | Confident | 74.3 | Confident | 102 Ų | 102 | 79.5 Ų | 79.5 | 48% | 0.477 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.5 | -171.8 | -172.6 | 173.7 | 179.4 | 0 | 0 | 111.1 | P283 Y285 F286 W287 | P283-E376 HydrophobicContact CB-CB 4.13Å; P283-E376 HydrophobicContact CG-CB 4.26Å; Y285-E376 PolarHBondContact O-N 2.79Å; Y285-E376 VanDerWaalsContact O-N 3.09Å; F286-E376 CarbonylContact C-O 3.56Å; F286-E376 WeakPolarHBondContact CA-O 3.42Å; F286-E376 HydrophobicContact CD1-CB 4.04Å; F286-E376 HydrophobicContact CE1-CB 4.31Å; W287-E376 VanDerWaalsContact CD1-O 3.26Å; W287-E376 PolarHBondContact N-O 2.85Å |
| 377 | L | 83.3 | Confident | 73.5 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 115.7 | 176 | 175.1 | 64.2 | 0 | 0 | 0 | 109.4 | W287 Q289 L379 | W287-L377 HydrophobicContact CD2-CD1 3.98Å; W287-L377 HydrophobicContact CE3-CD1 3.8Å; W287-L377 HydrophobicContact CH2-CB 4.48Å; W287-L377 HydrophobicContact CH2-CD1 3.89Å; W287-L377 HydrophobicContact CH2-CD2 4.36Å; W287-L377 HydrophobicContact CH2-CG 4.47Å; W287-L377 HydrophobicContact CZ2-CB 3.86Å; W287-L377 HydrophobicContact CZ2-CD1 4.04Å; W287-L377 HydrophobicContact CZ2-CD2 4.45Å; W287-L377 HydrophobicContact CZ2-CG 4.33Å; W287-L377 HydrophobicContact CZ3-CD1 3.76Å; W287-L377 CarbonylContact O-C 3.54Å; W287-L377 WeakPolarHBondContact O-CA 3.29Å; Q289-L377 HydrophobicContact CG-CD1 4.29Å; L377-L379 HydrophobicContact CD2-CD2 4.37Å; L377-L379 HydrophobicContact CG-CD2 4.46Å |
| 378 | V | 80.3 | Confident | 72.5 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 31% | 0.309 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -98 | 117.2 | 177.3 | -177.1 | 0 | 0 | 0 | 0 | 109 | F286 W287 Q288 | F286-V378 HydrophobicContact CB-CG2 4.07Å; F286-V378 HydrophobicContact CD1-CG2 3.78Å; F286-V378 HydrophobicContact CG-CG2 4.35Å; W287-V378 PolarHBondContact O-N 3.05Å; Q288-V378 HydrophobicContact CG-CB 4.06Å; Q288-V378 WeakPolarHBondContact CG-O 3.32Å |
| 379 | L | 75.1 | Confident | 71.7 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 139.3 | 173.7 | -60.6 | 175.2 | 0 | 0 | 0 | 109.6 | L377 I387 | L377-L379 HydrophobicContact CD2-CD2 4.37Å; L377-L379 HydrophobicContact CG-CD2 4.46Å; L379-I387 HydrophobicContact CD1-CD1 4.25Å |
| 380 | S | 67.7 | Low | 70.8 | Confident | 43 Ų | 43 | 97.1 Ų | 97.1 | 30% | 0.301 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 154.3 | 170.2 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | Q382 Q383 A384 | S380-Q382 PolarHBondContact O-N 2.71Å; S380-Q382 VanDerWaalsContact O-N 3.14Å; S380-Q383 VanDerWaalsContact N-OE1 3.15Å; S380-Q383 WeakPolarHBondContact O-CB 3.25Å; S380-Q383 PolarHBondContact O-N 3.02Å; S380-Q383 VanDerWaalsContact OG-CD 3.28Å; S380-Q383 VanDerWaalsContact OG-CG 3.27Å; S380-Q383 WeakPolarHBondContact OG-CG 3.45Å; S380-Q383 PolarHBondContact OG-N 3.35Å; S380-Q383 PolarHBondContact OG-OE1 3.17Å; S380-A384 PolarHBondContact O-N 2.95Å |
| 381 | D | 63 | Low | 69.9 | Low | 147 Ų | 147 | 97.5 Ų | 97.5 | 79% | 0.786 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -54.2 | -35 | 178.6 | -66.5 | -19.4 | 0 | 0 | 0 | 112.6 | A385 | D381-A385 VanDerWaalsContact O-CB 3.26Å; D381-A385 WeakPolarHBondContact O-CB 3.18Å; D381-A385 PolarHBondContact O-N 3.46Å |
| 382 | Q | 62.8 | Low | 69.6 | Low | 167 Ų | 167 | 96.9 Ų | 96.9 | 78% | 0.78 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.8 | -36.5 | 176.6 | -67.6 | -178.7 | -7.3 | 0 | 0 | 112.5 | S380 L386 | S380-Q382 PolarHBondContact O-N 2.71Å; S380-Q382 VanDerWaalsContact O-N 3.14Å; Q382-L386 WeakPolarHBondContact O-CB 3.26Å; Q382-L386 PolarHBondContact O-N 2.79Å |
| 383 | Q | 63.8 | Low | 68.9 | Low | 44 Ų | 44 | 101.7 Ų | 101.7 | 21% | 0.206 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -74.6 | -40.2 | 177 | -72.5 | 169 | -40.3 | 0 | 0 | 111.6 | Q289 S380 A385 L386 I387 | Q289-Q383 PolarHBondContact O-NE2 2.82Å; S380-Q383 VanDerWaalsContact N-OE1 3.15Å; S380-Q383 WeakPolarHBondContact O-CB 3.25Å; S380-Q383 PolarHBondContact O-N 3.02Å; S380-Q383 VanDerWaalsContact OG-CD 3.28Å; S380-Q383 VanDerWaalsContact OG-CG 3.27Å; S380-Q383 WeakPolarHBondContact OG-CG 3.45Å; S380-Q383 PolarHBondContact OG-N 3.35Å; S380-Q383 PolarHBondContact OG-OE1 3.17Å; Q383-A385 VanDerWaalsContact C-N 3.33Å; Q383-L386 PolarHBondContact O-N 3.45Å; Q383-I387 VanDerWaalsContact O-CG1 3.31Å; Q383-I387 WeakPolarHBondContact O-CG1 3.49Å; Q383-I387 PolarHBondContact O-N 3.22Å |
| 384 | A | 62.3 | Low | 67.7 | Low | 46 Ų | 46 | 96.1 Ų | 96.1 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | S380 I387 H388 | S380-A384 PolarHBondContact O-N 2.95Å; A384-I387 PolarHBondContact O-N 2.94Å; A384-H388 VanDerWaalsContact O-CB 3.27Å; A384-H388 WeakPolarHBondContact O-CB 3.49Å; A384-H388 PolarHBondContact O-N 3Å |
| 385 | A | 66.3 | Low | 66.1 | Low | 56 Ų | 56 | 93.1 Ų | 93.1 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D381 Q383 H388 D389 | D381-A385 VanDerWaalsContact O-CB 3.26Å; D381-A385 WeakPolarHBondContact O-CB 3.18Å; D381-A385 PolarHBondContact O-N 3.46Å; Q383-A385 VanDerWaalsContact C-N 3.33Å; A385-H388 PolarHBondContact O-N 3.37Å; A385-D389 VanDerWaalsContact O-CB 3.32Å; A385-D389 WeakPolarHBondContact O-CB 3.41Å; A385-D389 PolarHBondContact O-N 2.93Å |
| 386 | L | 66.1 | Low | 64.6 | Low | 110 Ų | 110 | 95.3 Ų | 95.3 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.2 | -37.2 | 178.8 | -156.8 | 95.3 | 0 | 0 | 0 | 112.7 | Q382 Q383 R390 | Q382-L386 WeakPolarHBondContact O-CB 3.26Å; Q382-L386 PolarHBondContact O-N 2.79Å; Q383-L386 PolarHBondContact O-N 3.45Å; L386-R390 WeakPolarHBondContact O-CG 3.4Å; L386-R390 PolarHBondContact O-N 2.79Å; L386-R390 VanDerWaalsContact O-N 3.11Å |
| 387 | I | 63.3 | Low | 62.8 | Low | 81 Ų | 81 | 99.2 Ų | 99.2 | 42% | 0.415 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 173.8 | -69 | 166.6 | 0 | 0 | 0 | 109.6 | L379 Q383 A384 D389 R390 L391 | L379-I387 HydrophobicContact CD1-CD1 4.25Å; Q383-I387 VanDerWaalsContact O-CG1 3.31Å; Q383-I387 WeakPolarHBondContact O-CG1 3.49Å; Q383-I387 PolarHBondContact O-N 3.22Å; A384-I387 PolarHBondContact O-N 2.94Å; I387-D389 VanDerWaalsContact C-N 3.32Å; I387-D389 PolarHBondContact O-N 2.8Å; I387-R390 PolarHBondContact O-N 2.91Å; I387-L391 HydrophobicContact CG2-CD1 3.65Å; I387-L391 HydrophobicContact CG2-CG 4.39Å; I387-L391 WeakPolarHBondContact O-CB 3.3Å; I387-L391 VanDerWaalsContact O-CG 3.26Å; I387-L391 WeakPolarHBondContact O-CG 3.48Å; I387-L391 PolarHBondContact O-N 3.47Å |
| 388 | H | 64.9 | Low | 60.6 | Low | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -55.6 | -49.1 | 174.9 | -174.3 | 71.3 | 0 | 0 | 0 | 110.5 | A384 A385 R390 L391 T392 | A384-H388 VanDerWaalsContact O-CB 3.27Å; A384-H388 WeakPolarHBondContact O-CB 3.49Å; A384-H388 PolarHBondContact O-N 3Å; A385-H388 PolarHBondContact O-N 3.37Å; H388-R390 VanDerWaalsContact C-N 3.34Å; H388-R390 PolarHBondContact O-N 2.72Å; H388-L391 CarbonylContact O-C 3.42Å; H388-L391 WeakPolarHBondContact O-CA 3.41Å; H388-L391 PolarHBondContact O-N 3.26Å; H388-T392 PolarHBondContact O-N 3.4Å; H388-T392 PolarHBondContact O-OG1 3.2Å |
| 389 | D | 68.4 | Low | 58.7 | Low | 124 Ų | 124 | 107.5 Ų | 107.5 | 66% | 0.663 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.8 | -37.6 | -178.9 | -153.4 | 39.8 | 0 | 0 | 0 | 113.1 | A385 I387 L391 T392 | A385-D389 VanDerWaalsContact O-CB 3.32Å; A385-D389 WeakPolarHBondContact O-CB 3.41Å; A385-D389 PolarHBondContact O-N 2.93Å; I387-D389 VanDerWaalsContact C-N 3.32Å; I387-D389 PolarHBondContact O-N 2.8Å; D389-L391 VanDerWaalsContact C-N 3.34Å; D389-T392 WeakPolarHBondContact CA-OG1 3.26Å; D389-T392 PolarHBondContact O-N 3.34Å; D389-T392 PolarHBondContact O-OG1 2.94Å |
| 390 | R | 66 | Low | 56.8 | Low | 192 Ų | 192 | 111.5 Ų | 111.5 | 73% | 0.725 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.7 | -31.1 | 173.9 | -77 | -173.2 | 167.7 | -160.3 | -2.9 | 113.2 | L386 I387 H388 H393 | L386-R390 WeakPolarHBondContact O-CG 3.4Å; L386-R390 PolarHBondContact O-N 2.79Å; L386-R390 VanDerWaalsContact O-N 3.11Å; I387-R390 PolarHBondContact O-N 2.91Å; H388-R390 VanDerWaalsContact C-N 3.34Å; H388-R390 PolarHBondContact O-N 2.72Å; R390-H393 PolarHBondContact O-ND1 3.26Å |
| 391 | L | 60 | Low | 55.5 | Low | 83 Ų | 83 | 112.4 Ų | 112.4 | 44% | 0.435 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -88.8 | -12.4 | 178.9 | -65.3 | 173.8 | 0 | 0 | 0 | 112.8 | I387 H388 D389 H393 L394 T395 | I387-L391 HydrophobicContact CG2-CD1 3.65Å; I387-L391 HydrophobicContact CG2-CG 4.39Å; I387-L391 WeakPolarHBondContact O-CB 3.3Å; I387-L391 VanDerWaalsContact O-CG 3.26Å; I387-L391 WeakPolarHBondContact O-CG 3.48Å; I387-L391 PolarHBondContact O-N 3.47Å; H388-L391 CarbonylContact O-C 3.42Å; H388-L391 WeakPolarHBondContact O-CA 3.41Å; H388-L391 PolarHBondContact O-N 3.26Å; D389-L391 VanDerWaalsContact C-N 3.34Å; L391-H393 PolarHBondContact O-N 3.32Å; L391-H393 VanDerWaalsContact O-N 3.09Å; L391-L394 HydrophobicContact CD2-CD1 3.91Å; L391-L394 WeakPolarHBondContact O-CA 3.4Å; L391-L394 WeakPolarHBondContact O-CB 3.43Å; L391-L394 PolarHBondContact O-N 3.41Å; L391-T395 PolarHBondContact O-N 3.27Å; L391-T395 PolarHBondContact O-OG1 3.44Å |
| 392 | T | 62.8 | Low | 54.5 | Low | 54 Ų | 54 | 115.1 Ų | 115.1 | 33% | 0.331 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.8 | -34 | -178.2 | -47.4 | 0 | 0 | 0 | 0 | 112.9 | H388 D389 L394 T395 S396 | H388-T392 PolarHBondContact O-N 3.4Å; H388-T392 PolarHBondContact O-OG1 3.2Å; D389-T392 WeakPolarHBondContact CA-OG1 3.26Å; D389-T392 PolarHBondContact O-N 3.34Å; D389-T392 PolarHBondContact O-OG1 2.94Å; T392-L394 VanDerWaalsContact C-N 3.28Å; T392-L394 PolarHBondContact O-N 2.92Å; T392-T395 WeakPolarHBondContact CA-OG1 3.14Å; T392-T395 PolarHBondContact O-N 3.08Å; T392-T395 PolarHBondContact O-OG1 3.44Å; T392-S396 PolarHBondContact O-N 3.11Å; T392-S396 VanDerWaalsContact O-N 3.07Å |
| 393 | H | 61.7 | Low | 53.4 | Low | 136 Ų | 136 | 118.3 Ų | 118.3 | 63% | 0.63 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -20.2 | 178.2 | 88.1 | -82.8 | 0 | 0 | 0 | 113.9 | R390 L391 S396 | R390-H393 PolarHBondContact O-ND1 3.26Å; L391-H393 PolarHBondContact O-N 3.32Å; L391-H393 VanDerWaalsContact O-N 3.09Å; H393-S396 PolarHBondContact O-OG 3.32Å |
| 394 | L | 47.7 | Very low | 52.2 | Low | 124 Ų | 124 | 125.4 Ų | 125.4 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -15.9 | 174.9 | -65.9 | 167.8 | 0 | 0 | 0 | 111.8 | L391 T392 | L391-L394 HydrophobicContact CD2-CD1 3.91Å; L391-L394 WeakPolarHBondContact O-CA 3.4Å; L391-L394 WeakPolarHBondContact O-CB 3.43Å; L391-L394 PolarHBondContact O-N 3.41Å; T392-L394 VanDerWaalsContact C-N 3.28Å; T392-L394 PolarHBondContact O-N 2.92Å |
| 395 | T | 43.3 | Very low | 51 | Low | 95 Ų | 95 | 131 Ų | 131 | 58% | 0.583 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -108.6 | 3.7 | 180 | 60 | 0 | 0 | 0 | 0 | 113 | L391 T392 E397 | L391-T395 PolarHBondContact O-N 3.27Å; L391-T395 PolarHBondContact O-OG1 3.44Å; T392-T395 WeakPolarHBondContact CA-OG1 3.14Å; T392-T395 PolarHBondContact O-N 3.08Å; T392-T395 PolarHBondContact O-OG1 3.44Å; T395-E397 PolarHBondContact O-N 3.4Å |
| 396 | S | 46.1 | Very low | 49.6 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 48% | 0.476 | 68% | 0.676 | S | S | . | * | trans | -80.8 | 105.5 | 176.5 | 59.9 | 0 | 0 | 0 | 0 | 111 | T392 H393 H398 | T392-S396 PolarHBondContact O-N 3.11Å; T392-S396 VanDerWaalsContact O-N 3.07Å; H393-S396 PolarHBondContact O-OG 3.32Å; S396-H398 VanDerWaalsContact C-N 3.35Å; S396-H398 PolarHBondContact O-N 3.14Å | ||
| 397 | E | 43.7 | Very low | 48.4 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | -70.7 | 84.9 | 167.1 | -66.5 | -166.3 | 159.2 | 0 | 0 | 110.7 | T395 | T395-E397 PolarHBondContact O-N 3.4Š| ||
| 398 | H | 37.6 | Very low | 47.2 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | trans | -127.8 | 116.1 | 162.8 | -72.5 | -35.5 | 0 | 0 | 0 | 110.2 | S396 N400 | S396-H398 VanDerWaalsContact C-N 3.35Å; S396-H398 PolarHBondContact O-N 3.14Å; H398-N400 PolarHBondContact O-N 2.74Å | ||
| 399 | P | 41.1 | Very low | 46 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 117.7 | 174.6 | 27.9 | -29.6 | 0 | 0 | 0 | 107.9 | G401 | P399-G401 PolarHBondContact O-N 2.87Š|
| 400 | N | 35 | Very low | 44.8 | Very low | 171 Ų | 171 | 130 Ų | 130 | 91% | 0.914 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127.2 | 172.1 | -103.8 | -24.2 | 0 | 0 | 0 | 109.2 | H398 | H398-N400 PolarHBondContact O-N 2.74Š|
| 401 | G | 39.3 | Very low | 43.6 | Very low | 62 Ų | 62 | 126.9 Ų | 126.9 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 155.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P399 R403 | P399-G401 PolarHBondContact O-N 2.87Å; G401-R403 PolarHBondContact O-N 2.61Å |
| 402 | E | 43.6 | Very low | 42.7 | Very low | 203 Ų | 203 | 126.9 Ų | 126.9 | 95% | 0.949 | 68% | 0.68 | S | S | * | * | trans | -37.4 | 114.5 | 178.4 | -62.6 | 176.8 | 154.7 | 0 | 0 | 113.2 | ||||
| 403 | R | 38.4 | Very low | 41.8 | Very low | 234 Ų | 234 | 130 Ų | 130 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | trans | -116.6 | 129.1 | 155.4 | -75.2 | -175.5 | 177.1 | 179.8 | 0.6 | 107.7 | G401 K405 | G401-R403 PolarHBondContact O-N 2.61Å; R403-K405 PolarHBondContact O-N 2.75Å | ||
| 404 | E | 39.1 | Very low | 40.9 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 90% | 0.902 | 69% | 0.693 | S | S | * | * | trans | -45.4 | 118 | 176.4 | -64.1 | 177.1 | 153.8 | 0 | 0 | 110.5 | P406 | E404-P406 WeakPolarHBondContact O-CD 3.19Š| ||
| 405 | K | 36.3 | Very low | 40.7 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 122.1 | -178.2 | -76.4 | -176.2 | 174.6 | -174.4 | 0 | 110.3 | R403 E412 | R403-K405 PolarHBondContact O-N 2.75Å; K405-E412 IonicContact NZ-OE1 3.17Å; K405-E412 PolarHBondContact NZ-OE1 2.79Å |
| 406 | P | 37.8 | Very low | 40.7 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 69% | 0.688 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 168.1 | 155.6 | -5.1 | 22.8 | 0 | 0 | 0 | 109.7 | E404 C408 | E404-P406 WeakPolarHBondContact O-CD 3.19Å; P406-C408 PolarHBondContact O-N 2.77Å; P406-C408 VanDerWaalsContact O-N 3.09Å |
| 407 | P | 40.1 | Very low | 40.6 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 85% | 0.851 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -64 | 117.8 | -175.8 | -6.1 | 20.1 | 0 | 0 | 0 | 110.2 | ||
| 408 | C | 39.4 | Very low | 40.5 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | trans | 50.5 | 93.9 | 165.1 | -152.2 | 0 | 0 | 0 | 0 | 115.6 | P406 | P406-C408 PolarHBondContact O-N 2.77Å; P406-C408 VanDerWaalsContact O-N 3.09Å | ||
| 409 | S | 38.2 | Very low | 40.8 | Very low | 56 Ų | 56 | 120.2 Ų | 120.2 | 39% | 0.392 | 66% | 0.66 | S | S | . | * | trans | -82.5 | 150.8 | 166.8 | 72 | 0 | 0 | 0 | 0 | 110.7 | Q411 E412 | S409-Q411 PolarHBondContact O-N 2.85Å; S409-E412 PolarHBondContact O-N 2.82Å; S409-E412 VanDerWaalsContact O-N 3.15Å | ||
| 410 | S | 44.6 | Very low | 41 | Very low | 87 Ų | 87 | 115.8 Ų | 115.8 | 61% | 0.608 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -13.2 | 177.4 | 48.1 | 0 | 0 | 0 | 0 | 115.1 | L413 | S410-L413 WeakPolarHBondContact O-CB 3.42Å; S410-L413 PolarHBondContact O-N 2.99Å |
| 411 | Q | 39.8 | Very low | 41.8 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 58% | 0.584 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.7 | -27.3 | 176.6 | -84.2 | 144.4 | -26.4 | 0 | 0 | 113.3 | S409 L413 E414 | S409-Q411 PolarHBondContact O-N 2.85Å; Q411-L413 PolarHBondContact O-N 2.8Å; Q411-E414 WeakPolarHBondContact CG-OE2 3.4Å; Q411-E414 PolarHBondContact O-N 2.8Å; Q411-E414 VanDerWaalsContact O-N 3.14Å |
| 412 | E | 40.8 | Very low | 42.5 | Very low | 83 Ų | 83 | 118.2 Ų | 118.2 | 39% | 0.388 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74 | -12.1 | 172.5 | -66.7 | -178.6 | 170.6 | 0 | 0 | 112.2 | K405 S409 | K405-E412 IonicContact NZ-OE1 3.17Å; K405-E412 PolarHBondContact NZ-OE1 2.79Å; S409-E412 PolarHBondContact O-N 2.82Å; S409-E412 VanDerWaalsContact O-N 3.15Å |
| 413 | L | 44.7 | Very low | 43.6 | Very low | 120 Ų | 120 | 109.4 Ų | 109.4 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -82.4 | -25.3 | 169.1 | -70.9 | 160.8 | 0 | 0 | 0 | 112 | S410 Q411 | S410-L413 WeakPolarHBondContact O-CB 3.42Å; S410-L413 PolarHBondContact O-N 2.99Å; Q411-L413 PolarHBondContact O-N 2.8Å |
| 414 | E | 42.9 | Very low | 45.8 | Very low | 130 Ų | 130 | 98.4 Ų | 98.4 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73.9 | -26.4 | 177.4 | -74.2 | 175.8 | 153.3 | 0 | 0 | 112.4 | Q411 C416 D417 | Q411-E414 WeakPolarHBondContact CG-OE2 3.4Å; Q411-E414 PolarHBondContact O-N 2.8Å; Q411-E414 VanDerWaalsContact O-N 3.14Å; E414-C416 PolarHBondContact O-N 3.35Å; E414-C416 VanDerWaalsContact O-N 3.08Å; E414-D417 PolarHBondContact O-N 2.83Å |
| 415 | D | 43.6 | Very low | 48.3 | Very low | 140 Ų | 140 | 89.8 Ų | 89.8 | 75% | 0.749 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -8.7 | 177.1 | -72.3 | -21.8 | 0 | 0 | 0 | 113.9 | ||
| 416 | C | 42.4 | Very low | 51.1 | Low | 59 Ų | 59 | 82 Ų | 82 | 40% | 0.399 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -6.3 | 173.6 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | E414 | E414-C416 PolarHBondContact O-N 3.35Å; E414-C416 VanDerWaalsContact O-N 3.08Å |
| 417 | D | 44.1 | Very low | 53.7 | Low | 61 Ų | 61 | 77.6 Ų | 77.6 | 33% | 0.326 | 45% | 0.45 | S | S | . | . | trans | -106.5 | 34.4 | 179.8 | -79.1 | -25.8 | 0 | 0 | 0 | 111.8 | E414 F419 R464 | E414-D417 PolarHBondContact O-N 2.83Å; D417-F419 HydrophobicContact CB-CE2 4.34Å; D417-F419 WeakPolarHBondContact O-CD2 3.11Å; D417-F419 WeakPolarHBondContact O-CE2 3.28Å; D417-F419 PolarHBondContact O-N 2.84Å; D417-R464 IonicContact OD1-CZ 2.76Å; D417-R464 VanDerWaalsContact OD1-CZ 3.29Å; D417-R464 IonicContact OD1-NH1 3.49Å; D417-R464 PolarHBondContact OD1-NH1 2.97Å; D417-R464 IonicContact OD1-NH2 2.96Å; D417-R464 PolarHBondContact OD1-NH2 2.89Å; D417-R464 IonicContact OD2-NH2 2.62Å | ||
| 418 | G | 41.6 | Very low | 56.3 | Low | 66 Ų | 66 | 72.1 Ų | 72.1 | 68% | 0.68 | 41% | 0.413 | S | S | * | . | trans | -59 | 97.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 419 | F | 43.4 | Very low | 58.9 | Low | 109 Ų | 109 | 67.8 Ų | 67.8 | 48% | 0.478 | 38% | 0.383 | S | S | . | . | trans | -69.7 | 137 | 171.9 | -65.6 | -75.9 | 0 | 0 | 0 | 108.4 | D417 D421 G444 | D417-F419 HydrophobicContact CB-CE2 4.34Å; D417-F419 WeakPolarHBondContact O-CD2 3.11Å; D417-F419 WeakPolarHBondContact O-CE2 3.28Å; D417-F419 PolarHBondContact O-N 2.84Å; F419-D421 PolarHBondContact O-N 2.93Å; F419-G444 WeakPolarHBondContact CE1-O 3.4Å | ||
| 420 | P | 46.9 | Very low | 61.4 | Low | 33 Ų | 33 | 67.4 Ų | 67.4 | 21% | 0.214 | 38% | 0.377 | C | S | . | . | trans | -56.9 | 142.2 | 167.6 | 23.7 | -29.8 | 0 | 0 | 0 | 108.7 | E254 F424 | E254-P420 HydrophobicContact CG-CB 4.14Å; P420-F424 HydrophobicContact CB-CB 4.16Å; P420-F424 HydrophobicContact CG-CB 3.87Å; P420-F424 HydrophobicContact CG-CD1 4.07Å; P420-F424 HydrophobicContact CG-CG 4.11Å | ||
| 421 | D | 51.1 | Low | 63.5 | Low | 149 Ų | 149 | 63.7 Ų | 63.7 | 80% | 0.797 | 35% | 0.352 | S | S | * | . | trans | -41.3 | 158.2 | 174.7 | -76.9 | -38.3 | 0 | 0 | 0 | 111.6 | F419 G423 F424 | F419-D421 PolarHBondContact O-N 2.93Å; D421-G423 PolarHBondContact O-N 2.89Å; D421-F424 PolarHBondContact O-N 3.27Å | ||
| 422 | D | 53.5 | Low | 65.8 | Low | 136 Ų | 136 | 66.6 Ų | 66.6 | 73% | 0.727 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 0.8 | 178.6 | -74.9 | -32.8 | 0 | 0 | 0 | 116.4 | ||
| 423 | G | 66.1 | Low | 68 | Low | 18 Ų | 18 | 67 Ų | 67 | 19% | 0.186 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | E254 D421 S425 | E254-G423 CarbonylContact C-O 3.55Å; E254-G423 CarbonylContact O-C 3.5Å; D421-G423 PolarHBondContact O-N 2.89Å; G423-S425 PolarHBondContact O-N 3.24Å; G423-S425 VanDerWaalsContact O-N 3.16Å |
| 424 | F | 86.4 | Confident | 70.1 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | trans | -67.2 | 116.9 | 179.7 | -168.7 | -137.3 | 0 | 0 | 0 | 111.2 | H238 A252 A253 E254 P420 D421 N441 L442 H445 F447 | H238-F424 HydrophobicContact CB-CE2 4.47Å; H238-F424 HydrophobicContact CB-CZ 4.45Å; H238-F424 AromaticContact ND1-CE2 3.76Å; A252-F424 HydrophobicContact CB-CE2 4.21Å; A252-F424 HydrophobicContact CB-CZ 4.16Å; A253-F424 VanDerWaalsContact O-CD2 3.31Å; A253-F424 WeakPolarHBondContact O-CD2 3.29Å; E254-F424 HydrophobicContact CG-CD2 4.01Å; P420-F424 HydrophobicContact CB-CB 4.16Å; P420-F424 HydrophobicContact CG-CB 3.87Å; P420-F424 HydrophobicContact CG-CD1 4.07Å; P420-F424 HydrophobicContact CG-CG 4.11Å; D421-F424 PolarHBondContact O-N 3.27Å; F424-N441 PolarHBondContact O-OD1 3.3Å; F424-L442 HydrophobicContact CB-CB 4.38Å; F424-L442 HydrophobicContact CD1-CB 3.3Å; F424-L442 HydrophobicContact CD1-CD1 4.02Å; F424-L442 HydrophobicContact CD1-CG 4.32Å; F424-L442 HydrophobicContact CE1-CB 3.68Å; F424-L442 HydrophobicContact CE1-CD1 3.52Å; F424-L442 HydrophobicContact CE1-CG 4.29Å; F424-L442 HydrophobicContact CE2-CD1 4.48Å; F424-L442 HydrophobicContact CG-CB 3.93Å; F424-L442 HydrophobicContact CZ-CD1 3.78Å; F424-L442 WeakPolarHBondContact O-CA 3.4Å; F424-L442 PolarHBondContact O-N 2.66Å; F424-H445 WeakPolarHBondContact CD1-O 3.1Å; F424-H445 VanDerWaalsContact CE1-O 3.3Å; F424-H445 WeakPolarHBondContact CE1-O 3.27Å; F424-F447 HydrophobicContact CE1-CB 4.26Å; F424-F447 HydrophobicContact CZ-CB 3.93Å | ||
| 425 | S | 91.3 | Very high | 72.2 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 8% | 0.077 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.4 | -174.5 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | A252 A253 G423 V440 | A252-S425 VanDerWaalsContact CA-O 3.29Å; A252-S425 WeakPolarHBondContact CA-O 3.17Å; A253-S425 PolarHBondContact N-O 2.84Å; A253-S425 PolarHBondContact O-N 2.85Å; G423-S425 PolarHBondContact O-N 3.24Å; G423-S425 VanDerWaalsContact O-N 3.16Å; S425-V440 CarbonylContact C-O 3.58Å; S425-V440 WeakPolarHBondContact CA-O 3.48Å; S425-V440 WeakPolarHBondContact CB-O 3.38Å |
| 426 | L | 93.6 | Very high | 74.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.4 | 169.3 | 171.9 | 69.5 | 0 | 0 | 0 | 108.4 | L251 A252 V439 V440 L442 L461 W483 | L251-L426 CarbonylContact O-C 3.53Å; L251-L426 WeakPolarHBondContact O-CA 3.34Å; A252-L426 HydrophobicContact CB-CD1 3.96Å; L426-V439 WeakPolarHBondContact O-CA 3.25Å; L426-V440 HydrophobicContact CB-CB 4.14Å; L426-V440 PolarHBondContact N-O 2.98Å; L426-V440 PolarHBondContact O-N 3.14Å; L426-L442 HydrophobicContact CB-CD1 3.69Å; L426-L442 HydrophobicContact CB-CD2 4.34Å; L426-L442 HydrophobicContact CB-CG 3.92Å; L426-L461 HydrophobicContact CD1-CD2 4.01Å; L426-L461 HydrophobicContact CD2-CD2 3.95Å; L426-W483 HydrophobicContact CD1-CZ2 4.38Å; L426-W483 HydrophobicContact CD2-CD2 3.89Å; L426-W483 VanDerWaalsContact CD2-CE2 3.44Å; L426-W483 HydrophobicContact CD2-CG 4.12Å; L426-W483 HydrophobicContact CD2-CZ2 3.85Å; L426-W483 HydrophobicContact CG-CH2 4.43Å; L426-W483 HydrophobicContact CG-CZ2 3.65Å |
| 427 | T | 94 | Very high | 76.5 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.3 | -172 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | M250 L251 F429 P436 Q438 V439 | M250-T427 CarbonylContact C-O 3.54Å; M250-T427 WeakPolarHBondContact CA-O 3.47Å; L251-T427 PolarHBondContact N-O 3.26Å; L251-T427 PolarHBondContact O-N 3.06Å; T427-F429 HydrophobicContact CG2-CD2 3.9Å; T427-F429 HydrophobicContact CG2-CE1 4.2Å; T427-F429 HydrophobicContact CG2-CE2 3.42Å; T427-F429 VanDerWaalsContact CG2-CE2 3.42Å; T427-F429 HydrophobicContact CG2-CG 4.45Å; T427-F429 HydrophobicContact CG2-CZ 3.61Å; T427-P436 HydrophobicContact CG2-CB 3.72Å; T427-Q438 CarbonylContact C-O 3.55Å; T427-Q438 WeakPolarHBondContact CA-O 3.41Å; T427-V439 HydrophobicContact CG2-CG2 3.98Å |
| 428 | H | 94.6 | Very high | 78.5 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.8 | 164.9 | 175.7 | -96.5 | 0 | 0 | 0 | 110 | M250 P436 T437 Q438 L482 W483 | M250-H428 HydrophobicContact CG-CB 4.23Å; H428-P436 WeakPolarHBondContact O-CA 3.21Å; H428-T437 PolarHBondContact ND1-OG1 2.96Å; H428-T437 PolarHBondContact O-N 3.01Å; H428-T437 PolarHBondContact O-OG1 2.84Å; H428-Q438 HydrophobicContact CB-CB 4.45Å; H428-Q438 PolarHBondContact N-O 3.42Å; H428-Q438 PolarHBondContact ND1-OE1 3.21Å; H428-L482 HydrophobicContact CB-CD1 4.02Å; H428-W483 HydrophobicContact CB-CZ2 4.39Å |
| 429 | F | 93.3 | Very high | 80.8 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130 | 171.3 | -63.5 | -91.5 | 0 | 0 | 0 | 109.4 | L231 G248 L249 L251 F257 F259 T427 P436 | L231-F429 HydrophobicContact CD2-CD2 4.49Å; L231-F429 HydrophobicContact CD2-CE1 4.49Å; L231-F429 HydrophobicContact CD2-CE2 4.27Å; L231-F429 HydrophobicContact CD2-CZ 4.26Å; G248-F429 CarbonylContact C-O 3.59Å; G248-F429 WeakPolarHBondContact CA-O 3.31Å; L249-F429 HydrophobicContact CB-CB 4.35Å; L249-F429 PolarHBondContact N-O 3.16Å; L249-F429 PolarHBondContact O-N 2.85Å; L251-F429 HydrophobicContact CD1-CD2 4.39Å; L251-F429 HydrophobicContact CD1-CE2 3.8Å; L251-F429 HydrophobicContact CG-CE2 4.21Å; F257-F429 WeakPolarHBondContact O-CZ 3.36Å; F259-F429 HydrophobicContact CD2-CD1 4.16Å; F259-F429 HydrophobicContact CD2-CE1 4.42Å; F259-F429 HydrophobicContact CE2-CB 4.14Å; F259-F429 AromaticContact CE2-CD1 3.61Å; F259-F429 HydrophobicContact CE2-CD1 3.61Å; F259-F429 HydrophobicContact CE2-CE1 4.21Å; F259-F429 AromaticContact CE2-CG 3.97Å; F259-F429 HydrophobicContact CE2-CG 3.97Å; T427-F429 HydrophobicContact CG2-CD2 3.9Å; T427-F429 HydrophobicContact CG2-CE1 4.2Å; T427-F429 HydrophobicContact CG2-CE2 3.42Å; T427-F429 VanDerWaalsContact CG2-CE2 3.42Å; T427-F429 HydrophobicContact CG2-CG 4.45Å; T427-F429 HydrophobicContact CG2-CZ 3.61Å; F429-P436 HydrophobicContact CD1-CB 4.21Å; F429-P436 HydrophobicContact CE1-CB 4.01Å; F429-P436 HydrophobicContact CE1-CG 4.43Å |
| 430 | D | 91.4 | Very high | 83 | Confident | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 138.6 | 174.1 | 179.8 | -89.1 | 0 | 0 | 0 | 111.4 | E432 T433 L434 S435 T437 | D430-E432 VanDerWaalsContact C-N 3.33Å; D430-E432 PolarHBondContact O-N 3.09Å; D430-E432 WeakPolarHBondContact OD1-CA 3.39Å; D430-E432 WeakPolarHBondContact OD1-CB 3.06Å; D430-E432 PolarHBondContact OD1-N 3.34Å; D430-T433 WeakPolarHBondContact CB-OG1 3.36Å; D430-T433 PolarHBondContact OD1-N 3.38Å; D430-T433 PolarHBondContact OD1-OG1 3.42Å; D430-L434 WeakPolarHBondContact O-CA 3.45Å; D430-L434 PolarHBondContact O-N 3.18Å; D430-S435 PolarHBondContact N-O 3.01Å; D430-T437 HydrophobicContact CB-CG2 3.84Å |
| 431 | G | 88.1 | Confident | 85 | Confident | 10 Ų | 10 | 47 Ų | 47 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | E247 | E247-G431 VanDerWaalsContact O-CA 3.32Å; E247-G431 WeakPolarHBondContact O-CA 3.35Å; E247-G431 PolarHBondContact O-N 2.69Å |
| 432 | E | 87.9 | Confident | 86.6 | Confident | 185 Ų | 185 | 39.9 Ų | 39.9 | 86% | 0.864 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -52.3 | 179.3 | -62.4 | -168.1 | 163.7 | 0 | 0 | 111.5 | D430 | D430-E432 VanDerWaalsContact C-N 3.33Å; D430-E432 PolarHBondContact O-N 3.09Å; D430-E432 WeakPolarHBondContact OD1-CA 3.39Å; D430-E432 WeakPolarHBondContact OD1-CB 3.06Å; D430-E432 PolarHBondContact OD1-N 3.34Å |
| 433 | T | 87.3 | Confident | 87.7 | Confident | 91 Ų | 91 | 34.7 Ų | 34.7 | 56% | 0.558 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -21.1 | -177.5 | 72.4 | 0 | 0 | 0 | 0 | 112.6 | D430 S435 | D430-T433 WeakPolarHBondContact CB-OG1 3.36Å; D430-T433 PolarHBondContact OD1-N 3.38Å; D430-T433 PolarHBondContact OD1-OG1 3.42Å; T433-S435 PolarHBondContact O-N 2.79Å; T433-S435 PolarHBondContact OG1-N 2.8Å; T433-S435 PolarHBondContact OG1-OG 3.03Å |
| 434 | L | 88.9 | Confident | 88.2 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | trans | 58.2 | 13.6 | -175.1 | -51.7 | 178 | 0 | 0 | 0 | 113.5 | W208 R229 F259 I262 D430 | W208-L434 HydrophobicContact CZ3-CD2 4.12Å; R229-L434 HydrophobicContact CG-CD1 3.99Å; F259-L434 HydrophobicContact CD1-CB 4.39Å; F259-L434 HydrophobicContact CD1-CD1 4.23Å; F259-L434 HydrophobicContact CD2-CB 3.81Å; F259-L434 WeakPolarHBondContact CD2-O 3.38Å; F259-L434 HydrophobicContact CE1-CB 4.35Å; F259-L434 HydrophobicContact CE1-CD1 4.26Å; F259-L434 HydrophobicContact CE1-CD2 4.11Å; F259-L434 HydrophobicContact CE1-CG 4.48Å; F259-L434 HydrophobicContact CE2-CB 3.74Å; F259-L434 HydrophobicContact CE2-CD2 4.42Å; F259-L434 WeakPolarHBondContact CE2-O 3.13Å; F259-L434 HydrophobicContact CG-CB 4.13Å; F259-L434 HydrophobicContact CZ-CB 4.02Å; F259-L434 HydrophobicContact CZ-CD2 3.88Å; F259-L434 HydrophobicContact CZ-CG 4.39Å; I262-L434 HydrophobicContact CD1-CD1 3.48Å; I262-L434 VanDerWaalsContact CD1-CD1 3.48Å; I262-L434 HydrophobicContact CG1-CD1 3.73Å; D430-L434 WeakPolarHBondContact O-CA 3.45Å; D430-L434 PolarHBondContact O-N 3.18Å | ||
| 435 | S | 86.4 | Confident | 88 | Confident | 52 Ų | 52 | 37.7 Ų | 37.7 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | trans | -87.5 | 146.9 | 176.7 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | D430 T433 T437 | D430-S435 PolarHBondContact N-O 3.01Å; T433-S435 PolarHBondContact O-N 2.79Å; T433-S435 PolarHBondContact OG1-N 2.8Å; T433-S435 PolarHBondContact OG1-OG 3.03Å; S435-T437 PolarHBondContact O-N 3.41Å | ||
| 436 | P | 88.6 | Confident | 87.9 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 126.2 | 168.8 | 28.7 | -33.6 | 0 | 0 | 0 | 109.5 | A6 T427 H428 F429 V439 | A6-P436 HydrophobicContact CB-CG 4.11Å; T427-P436 HydrophobicContact CG2-CB 3.72Å; H428-P436 WeakPolarHBondContact O-CA 3.21Å; F429-P436 HydrophobicContact CD1-CB 4.21Å; F429-P436 HydrophobicContact CE1-CB 4.01Å; F429-P436 HydrophobicContact CE1-CG 4.43Å; P436-V439 HydrophobicContact CB-CG2 4.2Å |
| 437 | T | 87.1 | Confident | 87.9 | Confident | 45 Ų | 45 | 41.8 Ų | 41.8 | 28% | 0.276 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -41.3 | -178.9 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | N9 H428 D430 S435 | N9-T437 PolarHBondContact ND2-O 3.08Å; H428-T437 PolarHBondContact ND1-OG1 2.96Å; H428-T437 PolarHBondContact O-N 3.01Å; H428-T437 PolarHBondContact O-OG1 2.84Å; D430-T437 HydrophobicContact CB-CG2 3.84Å; S435-T437 PolarHBondContact O-N 3.41Å |
| 438 | Q | 87.5 | Confident | 87.9 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128 | 175 | -67.2 | 85.8 | -6.5 | 0 | 0 | 109.6 | N9 Y10 T427 H428 P479 L482 W483 | N9-Q438 WeakPolarHBondContact OD1-CA 3.47Å; Y10-Q438 HydrophobicContact CD2-CB 4.38Å; Y10-Q438 HydrophobicContact CD2-CG 3.95Å; Y10-Q438 HydrophobicContact CG-CB 4.47Å; T427-Q438 CarbonylContact C-O 3.55Å; T427-Q438 WeakPolarHBondContact CA-O 3.41Å; H428-Q438 HydrophobicContact CB-CB 4.45Å; H428-Q438 PolarHBondContact N-O 3.42Å; H428-Q438 PolarHBondContact ND1-OE1 3.21Å; Q438-P479 PolarHBondContact NE2-O 3Å; Q438-L482 HydrophobicContact CB-CD1 3.84Å; Q438-L482 HydrophobicContact CG-CD1 3.61Å; Q438-L482 VanDerWaalsContact OE1-CD1 3.23Å; Q438-W483 HydrophobicContact CB-CH2 3.76Å; Q438-W483 HydrophobicContact CB-CZ3 3.99Å |
| 439 | V | 89.6 | Confident | 88 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 117.9 | 178.9 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | A6 A8 N9 Y10 L426 T427 P436 | A6-V439 HydrophobicContact CB-CG2 3.96Å; A8-V439 WeakPolarHBondContact CA-O 3.49Å; N9-V439 PolarHBondContact N-O 2.98Å; N9-V439 PolarHBondContact OD1-N 3.29Å; N9-V439 PolarHBondContact OD1-O 3.38Å; Y10-V439 PolarHBondContact N-O 2.89Å; L426-V439 WeakPolarHBondContact O-CA 3.25Å; T427-V439 HydrophobicContact CG2-CG2 3.98Å; P436-V439 HydrophobicContact CB-CG2 4.2Å |
| 440 | V | 89.4 | Confident | 88.1 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.1 | 174.4 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | Y10 L12 S425 L426 L442 W483 | Y10-V440 HydrophobicContact CD1-CG2 3.79Å; Y10-V440 HydrophobicContact CG-CG2 4.33Å; L12-V440 HydrophobicContact CD1-CG1 4.29Å; L12-V440 HydrophobicContact CD2-CG1 4.3Å; L12-V440 HydrophobicContact CD2-CG2 4.28Å; L12-V440 HydrophobicContact CG-CG1 3.78Å; S425-V440 CarbonylContact C-O 3.58Å; S425-V440 WeakPolarHBondContact CA-O 3.48Å; S425-V440 WeakPolarHBondContact CB-O 3.38Å; L426-V440 HydrophobicContact CB-CB 4.14Å; L426-V440 PolarHBondContact N-O 2.98Å; L426-V440 PolarHBondContact O-N 3.14Å; V440-L442 HydrophobicContact CG1-CD2 3.85Å; V440-L442 PolarHBondContact O-N 3.5Å; V440-W483 HydrophobicContact CG2-CD2 4.47Å; V440-W483 HydrophobicContact CG2-CE3 3.71Å; V440-W483 HydrophobicContact CG2-CH2 3.6Å; V440-W483 HydrophobicContact CG2-CZ2 4.38Å; V440-W483 HydrophobicContact CG2-CZ3 3.22Å |
| 441 | N | 88.6 | Confident | 88.3 | Confident | 75 Ų | 75 | 41.8 Ų | 41.8 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 119.4 | 165.4 | -169.6 | -5.6 | 0 | 0 | 0 | 108.9 | A8 F424 G443 | A8-N441 HydrophobicContact CB-CB 3.88Å; F424-N441 PolarHBondContact O-OD1 3.3Å; N441-G443 WeakPolarHBondContact OD1-CA 3.48Å; N441-G443 PolarHBondContact OD1-N 3.32Å |
| 442 | L | 86 | Confident | 88.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -100.6 | 12.3 | 174.3 | -64.9 | -171 | 0 | 0 | 0 | 112.1 | L12 A252 F424 L426 V440 G444 H445 L463 | L12-L442 HydrophobicContact CD1-CD2 3.95Å; A252-L442 HydrophobicContact CB-CD1 4.36Å; F424-L442 HydrophobicContact CB-CB 4.38Å; F424-L442 HydrophobicContact CD1-CB 3.3Å; F424-L442 HydrophobicContact CD1-CD1 4.02Å; F424-L442 HydrophobicContact CD1-CG 4.32Å; F424-L442 HydrophobicContact CE1-CB 3.68Å; F424-L442 HydrophobicContact CE1-CD1 3.52Å; F424-L442 HydrophobicContact CE1-CG 4.29Å; F424-L442 HydrophobicContact CE2-CD1 4.48Å; F424-L442 HydrophobicContact CG-CB 3.93Å; F424-L442 HydrophobicContact CZ-CD1 3.78Å; F424-L442 WeakPolarHBondContact O-CA 3.4Å; F424-L442 PolarHBondContact O-N 2.66Å; L426-L442 HydrophobicContact CB-CD1 3.69Å; L426-L442 HydrophobicContact CB-CD2 4.34Å; L426-L442 HydrophobicContact CB-CG 3.92Å; V440-L442 HydrophobicContact CG1-CD2 3.85Å; V440-L442 PolarHBondContact O-N 3.5Å; L442-G444 PolarHBondContact O-N 2.9Å; L442-H445 HydrophobicContact CB-CB 4.3Å; L442-H445 HydrophobicContact CD2-CB 4.33Å; L442-H445 WeakPolarHBondContact O-CA 3.11Å; L442-H445 WeakPolarHBondContact O-CB 3.32Å; L442-H445 PolarHBondContact O-N 2.78Å; L442-L463 HydrophobicContact CD1-CD1 4.25Å; L442-L463 HydrophobicContact CD1-CD2 4.23Å; L442-L463 HydrophobicContact CD2-CD1 3.77Å | ||
| 443 | G | 76.3 | Confident | 88.9 | Confident | 27 Ų | 27 | 37.5 Ų | 37.5 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 123.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N441 | N441-G443 WeakPolarHBondContact OD1-CA 3.48Å; N441-G443 PolarHBondContact OD1-N 3.32Å |
| 444 | G | 75.8 | Confident | 89.2 | Confident | 35 Ų | 35 | 35.9 Ų | 35.9 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -12.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F419 L442 | F419-G444 WeakPolarHBondContact CE1-O 3.4Å; L442-G444 PolarHBondContact O-N 2.9Å |
| 445 | H | 83.4 | Confident | 89.4 | Confident | 50 Ų | 50 | 37.2 Ų | 37.2 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | trans | -111.4 | 106.6 | 178.9 | -65 | -65.5 | 0 | 0 | 0 | 111.2 | F424 L442 R464 H465 | F424-H445 WeakPolarHBondContact CD1-O 3.1Å; F424-H445 VanDerWaalsContact CE1-O 3.3Å; F424-H445 WeakPolarHBondContact CE1-O 3.27Å; L442-H445 HydrophobicContact CB-CB 4.3Å; L442-H445 HydrophobicContact CD2-CB 4.33Å; L442-H445 WeakPolarHBondContact O-CA 3.11Å; L442-H445 WeakPolarHBondContact O-CB 3.32Å; L442-H445 PolarHBondContact O-N 2.78Å; H445-R464 PolarHBondContact ND1-O 2.97Å; H445-H465 AromaticContact CE1-ND1 3.46Å; H445-H465 PolarHBondContact CE1-ND1 3.43Å | ||
| 446 | Q | 89.2 | Confident | 89.6 | Confident | 63 Ų | 63 | 38.4 Ų | 38.4 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | trans | -74.5 | 133.9 | 175.2 | -174.2 | 177.8 | 37.5 | 0 | 0 | 111 | L448 L463 R464 | Q446-L448 HydrophobicContact CB-CD2 4.11Å; Q446-L448 HydrophobicContact CG-CD2 3.97Å; Q446-L463 CarbonylContact O-C 3.46Å; Q446-L463 WeakPolarHBondContact O-CA 3.2Å; Q446-R464 HydrophobicContact CB-CB 3.99Å; Q446-R464 PolarHBondContact O-N 3.39Å | ||
| 447 | F | 93.3 | Very high | 89.9 | Confident | 33 Ų | 33 | 38.8 Ų | 38.8 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 127.9 | 167.3 | 179.1 | -91 | 0 | 0 | 0 | 110.8 | H238 Y239 F424 L461 L463 | H238-F447 HydrophobicContact CB-CB 4.03Å; H238-F447 HydrophobicContact CB-CD1 3.76Å; H238-F447 HydrophobicContact CB-CD2 4.15Å; H238-F447 HydrophobicContact CB-CE1 4.21Å; H238-F447 HydrophobicContact CB-CG 3.71Å; H238-F447 WeakPolarHBondContact O-CE1 3.34Å; H238-F447 VanDerWaalsContact O-CZ 3.25Å; H238-F447 WeakPolarHBondContact O-CZ 3.44Å; Y239-F447 HydrophobicContact CD2-CE2 4.46Å; F424-F447 HydrophobicContact CE1-CB 4.26Å; F424-F447 HydrophobicContact CZ-CB 3.93Å; F447-L461 HydrophobicContact CE2-CB 4.35Å; F447-L463 HydrophobicContact CB-CD2 4.28Å; F447-L463 HydrophobicContact CD2-CD2 4.15Å |
| 448 | L | 94.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -51.2 | -176.4 | -48.7 | -175.9 | 0 | 0 | 0 | 112.3 | Q446 C462 R464 A469 | Q446-L448 HydrophobicContact CB-CD2 4.11Å; Q446-L448 HydrophobicContact CG-CD2 3.97Å; L448-C462 HydrophobicContact CB-CB 4.41Å; L448-C462 PolarHBondContact N-O 2.7Å; L448-R464 HydrophobicContact CD1-CB 4.2Å; L448-R464 HydrophobicContact CD2-CB 3.81Å; L448-R464 HydrophobicContact CG-CB 4.28Å; L448-A469 HydrophobicContact CD1-CB 3.42Å; L448-A469 VanDerWaalsContact CD1-CB 3.42Å |
| 449 | F | 95.5 | Very high | 90.8 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.044 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 169.7 | 177 | 53.9 | -90.4 | 0 | 0 | 0 | 111 | C462 F489 L492 S505 C507 | F449-C462 HydrophobicContact CD1-CB 4.1Å; F449-C462 HydrophobicContact CD2-CB 3.82Å; F449-C462 HydrophobicContact CE1-CB 3.93Å; F449-C462 HydrophobicContact CE2-CB 3.63Å; F449-C462 HydrophobicContact CG-CB 4.05Å; F449-C462 HydrophobicContact CZ-CB 3.69Å; F449-C462 VanDerWaalsContact CZ-SG 3.52Å; F449-C462 VanDerWaalsContact O-CB 3.32Å; F449-C462 WeakPolarHBondContact O-CB 3.34Å; F449-C462 PolarHBondContact O-N 3Å; F449-F489 HydrophobicContact CZ-CE2 4.36Å; F449-L492 HydrophobicContact CE1-CD2 4.28Å; F449-S505 WeakPolarHBondContact CB-O 3.34Å; F449-C507 HydrophobicContact CE2-CB 4.11Å; F449-C507 HydrophobicContact CZ-CB 4.26Å |
| 450 | S | 95.9 | Very high | 91.2 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 37% | 0.371 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.9 | 166.7 | 57.5 | 0 | 0 | 0 | 0 | 111 | C460 | S450-C460 WeakPolarHBondContact CA-O 3.5Å; S450-C460 VanDerWaalsContact CB-O 3.3Å; S450-C460 WeakPolarHBondContact CB-O 3.18Å |
| 451 | V | 95.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 136.8 | -179.2 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | V453 P459 C460 | V451-V453 HydrophobicContact CG1-CG2 4.06Å; V451-V453 PolarHBondContact O-N 3.26Å; V451-P459 CarbonylContact O-C 3.57Å; V451-P459 WeakPolarHBondContact O-CA 3.2Å; V451-C460 HydrophobicContact CG1-CB 3.73Å; V451-C460 PolarHBondContact N-O 2.82Å; V451-C460 PolarHBondContact O-N 3.36Å |
| 452 | D | 94.2 | Very high | 91.9 | Very high | 67 Ų | 67 | 31.5 Ų | 31.5 | 36% | 0.358 | 19% | 0.191 | S | C | . | . | trans | -84.6 | 108.7 | 172.5 | -61 | -46.2 | 0 | 0 | 0 | 109.2 | P459 | D452-P459 VanDerWaalsContact OD1-CB 3.3Å; D452-P459 WeakPolarHBondContact OD1-CB 3.39Å; D452-P459 VanDerWaalsContact OD1-CG 3.23Å; D452-P459 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 453 | V | 93.9 | Very high | 92.4 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -94.3 | -48.7 | 179.9 | 174 | 0 | 0 | 0 | 0 | 111.1 | V451 C460 P509 F511 | V451-V453 HydrophobicContact CG1-CG2 4.06Å; V451-V453 PolarHBondContact O-N 3.26Å; V453-C460 HydrophobicContact CG2-CB 4.4Å; V453-P509 WeakPolarHBondContact CG1-O 3.36Å; V453-F511 HydrophobicContact CG1-CZ 4.14Å; V453-F511 HydrophobicContact CG2-CE1 3.62Å; V453-F511 HydrophobicContact CG2-CZ 3.63Å |
| 454 | D | 93.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | trans | -130.1 | 121.2 | 178.5 | -179.5 | -21.3 | 0 | 0 | 0 | 108.6 | S456 Q457 | D454-S456 PolarHBondContact O-N 3.43Å; D454-S456 WeakPolarHBondContact OD1-CB 3.18Å; D454-S456 PolarHBondContact OD1-N 2.65Å; D454-S456 PolarHBondContact OD1-OG 3.47Å; D454-S456 PolarHBondContact OD2-OG 3.1Å; D454-Q457 HydrophobicContact CB-CB 4.26Å; D454-Q457 HydrophobicContact CB-CG 4.09Å; D454-Q457 PolarHBondContact O-N 2.85Å | ||
| 455 | P | 92.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 32.3 Ų | 32.3 | 32% | 0.318 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.8 | 179.3 | 17.2 | -27.2 | 0 | 0 | 0 | 115.6 | P72 W73 | P72-P455 HydrophobicContact CB-CB 3.81Å; P72-P455 HydrophobicContact CB-CG 4.2Å; W73-P455 HydrophobicContact CD2-CB 4.04Å; W73-P455 HydrophobicContact CD2-CG 4.36Å; W73-P455 VanDerWaalsContact CE2-CB 3.41Å; W73-P455 HydrophobicContact CG-CG 4.39Å; W73-P455 HydrophobicContact CH2-CB 3.98Å; W73-P455 HydrophobicContact CZ2-CB 3.4Å; W73-P455 HydrophobicContact CZ2-CG 4.38Å |
| 456 | S | 91.6 | Very high | 94.3 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 55% | 0.545 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.8 | 176.3 | 71.1 | 0 | 0 | 0 | 0 | 113.4 | D454 | D454-S456 PolarHBondContact O-N 3.43Å; D454-S456 WeakPolarHBondContact OD1-CB 3.18Å; D454-S456 PolarHBondContact OD1-N 2.65Å; D454-S456 PolarHBondContact OD1-OG 3.47Å; D454-S456 PolarHBondContact OD2-OG 3.1Å |
| 457 | Q | 94.4 | Very high | 94.5 | Very high | 64 Ų | 64 | 36.4 Ų | 36.4 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -113.4 | 167.6 | -177 | -58.7 | -176.2 | 2.8 | 0 | 0 | 110.4 | D454 R475 | D454-Q457 HydrophobicContact CB-CB 4.26Å; D454-Q457 HydrophobicContact CB-CG 4.09Å; D454-Q457 PolarHBondContact O-N 2.85Å; Q457-R475 VanDerWaalsContact NE2-NH1 3.12Å |
| 458 | M | 96.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 150.9 | 172 | -57.4 | 178.9 | 68.4 | 0 | 0 | 109.7 | A241 A243 M250 C460 Q473 P474 P476 | A241-M458 HydrophobicContact CB-CE 3.52Å; A241-M458 WeakPolarHBondContact O-CE 3.41Å; A243-M458 HydrophobicContact CB-SD 3.98Å; M250-M458 HydrophobicContact CB-CE 3.74Å; M250-M458 HydrophobicContact CE-SD 4.06Å; M250-M458 HydrophobicContact CG-CE 3.74Å; M250-M458 HydrophobicContact CG-SD 4.37Å; M250-M458 HydrophobicContact SD-CE 3.89Å; M250-M458 HydrophobicContact SD-SD 3.99Å; M458-C460 PolarHBondContact O-N 3.48Å; M458-Q473 PolarHBondContact O-NE2 2.92Å; M458-P474 HydrophobicContact CB-CB 3.95Å; M458-P474 HydrophobicContact CB-CG 4.03Å; M458-P474 HydrophobicContact CG-CB 4.39Å; M458-P474 HydrophobicContact SD-CB 3.84Å; M458-P476 HydrophobicContact SD-CG 4.13Å |
| 459 | P | 96.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 139.2 | 174.6 | -16.5 | 25.7 | 0 | 0 | 0 | 110.6 | Y239 A241 V451 D452 | Y239-P459 HydrophobicContact CE2-CB 4.18Å; Y239-P459 VanDerWaalsContact CE2-O 3.3Å; Y239-P459 WeakPolarHBondContact CE2-O 3.31Å; Y239-P459 PolarHBondContact OH-O 3.44Å; A241-P459 HydrophobicContact CB-CG 4.37Å; V451-P459 CarbonylContact O-C 3.57Å; V451-P459 WeakPolarHBondContact O-CA 3.2Å; D452-P459 VanDerWaalsContact OD1-CB 3.3Å; D452-P459 WeakPolarHBondContact OD1-CB 3.39Å; D452-P459 VanDerWaalsContact OD1-CG 3.23Å; D452-P459 WeakPolarHBondContact OD1-CG 3.49Å |
| 460 | C | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 151.6 | 171.5 | -74.5 | 0 | 0 | 0 | 0 | 110.7 | S450 V451 V453 M458 V471 W472 Q473 | S450-C460 WeakPolarHBondContact CA-O 3.5Å; S450-C460 VanDerWaalsContact CB-O 3.3Å; S450-C460 WeakPolarHBondContact CB-O 3.18Å; V451-C460 HydrophobicContact CG1-CB 3.73Å; V451-C460 PolarHBondContact N-O 2.82Å; V451-C460 PolarHBondContact O-N 3.36Å; V453-C460 HydrophobicContact CG2-CB 4.4Å; M458-C460 PolarHBondContact O-N 3.48Å; C460-V471 HydrophobicContact CB-CG1 3.58Å; C460-W472 WeakPolarHBondContact CA-O 3.48Å; C460-Q473 PolarHBondContact SG-OE1 3.05Å |
| 461 | L | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.4 | 171.3 | 61.3 | 95.5 | 0 | 0 | 0 | 109.6 | Y239 L426 F447 L463 W472 P474 | Y239-L461 HydrophobicContact CD2-CB 4.05Å; Y239-L461 HydrophobicContact CE2-CB 4.21Å; Y239-L461 HydrophobicContact CG-CB 4.5Å; L426-L461 HydrophobicContact CD1-CD2 4.01Å; L426-L461 HydrophobicContact CD2-CD2 3.95Å; F447-L461 HydrophobicContact CE2-CB 4.35Å; L461-L463 HydrophobicContact CD1-CD1 3.51Å; L461-L463 HydrophobicContact CD1-CD2 4.04Å; L461-L463 HydrophobicContact CD1-CG 3.49Å; L461-L463 VanDerWaalsContact CD1-CG 3.49Å; L461-W472 HydrophobicContact CD1-CB 3.61Å; L461-W472 HydrophobicContact CD1-CG 3.88Å; L461-W472 HydrophobicContact CG-CB 3.85Å; L461-W472 PolarHBondContact N-O 3.05Å; L461-W472 PolarHBondContact O-N 3.37Å; L461-P474 HydrophobicContact CD2-CG 4.49Å |
| 462 | C | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.5 | 177 | -166.5 | 0 | 0 | 0 | 0 | 109.5 | L448 F449 L470 | L448-C462 HydrophobicContact CB-CB 4.41Å; L448-C462 PolarHBondContact N-O 2.7Å; F449-C462 HydrophobicContact CD1-CB 4.1Å; F449-C462 HydrophobicContact CD2-CB 3.82Å; F449-C462 HydrophobicContact CE1-CB 3.93Å; F449-C462 HydrophobicContact CE2-CB 3.63Å; F449-C462 HydrophobicContact CG-CB 4.05Å; F449-C462 HydrophobicContact CZ-CB 3.69Å; F449-C462 VanDerWaalsContact CZ-SG 3.52Å; F449-C462 VanDerWaalsContact O-CB 3.32Å; F449-C462 WeakPolarHBondContact O-CB 3.34Å; F449-C462 PolarHBondContact O-N 3Å; C462-L470 CarbonylContact C-O 3.54Å; C462-L470 VanDerWaalsContact CA-O 3.31Å; C462-L470 WeakPolarHBondContact CA-O 3.45Å |
| 463 | L | 96.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 144.6 | -179.5 | -60 | 176.1 | 0 | 0 | 0 | 110.5 | L12 L442 Q446 F447 L461 L470 | L12-L463 HydrophobicContact CD1-CD1 3.76Å; L442-L463 HydrophobicContact CD1-CD1 4.25Å; L442-L463 HydrophobicContact CD1-CD2 4.23Å; L442-L463 HydrophobicContact CD2-CD1 3.77Å; Q446-L463 CarbonylContact O-C 3.46Å; Q446-L463 WeakPolarHBondContact O-CA 3.2Å; F447-L463 HydrophobicContact CB-CD2 4.28Å; F447-L463 HydrophobicContact CD2-CD2 4.15Å; L461-L463 HydrophobicContact CD1-CD1 3.51Å; L461-L463 HydrophobicContact CD1-CD2 4.04Å; L461-L463 HydrophobicContact CD1-CG 3.49Å; L461-L463 VanDerWaalsContact CD1-CG 3.49Å; L463-L470 PolarHBondContact N-O 3.22Å; L463-L470 PolarHBondContact O-N 2.63Å |
| 464 | R | 94.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 11% | 0.109 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 135.6 | 168.3 | -177.2 | 173.8 | 172.2 | -168.9 | -5.9 | 109.7 | D417 H445 Q446 L448 D466 | D417-R464 IonicContact OD1-CZ 2.76Å; D417-R464 VanDerWaalsContact OD1-CZ 3.29Å; D417-R464 IonicContact OD1-NH1 3.49Å; D417-R464 PolarHBondContact OD1-NH1 2.97Å; D417-R464 IonicContact OD1-NH2 2.96Å; D417-R464 PolarHBondContact OD1-NH2 2.89Å; D417-R464 IonicContact OD2-NH2 2.62Å; H445-R464 PolarHBondContact ND1-O 2.97Å; Q446-R464 HydrophobicContact CB-CB 3.99Å; Q446-R464 PolarHBondContact O-N 3.39Å; L448-R464 HydrophobicContact CD1-CB 4.2Å; L448-R464 HydrophobicContact CD2-CB 3.81Å; L448-R464 HydrophobicContact CG-CB 4.28Å; R464-D466 WeakPolarHBondContact CG-O 3.44Å; R464-D466 PolarHBondContact NE-O 2.85Å |
| 465 | H | 92 | Very high | 95.4 | Very high | 47 Ų | 47 | 26.3 Ų | 26.3 | 22% | 0.218 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 107.7 | 170.8 | -169.9 | 91.8 | 0 | 0 | 0 | 107.1 | H445 V467 D468 L470 | H445-H465 AromaticContact CE1-ND1 3.46Å; H445-H465 PolarHBondContact CE1-ND1 3.43Å; H465-V467 PolarHBondContact O-N 2.98Å; H465-V467 VanDerWaalsContact O-N 3.13Å; H465-D468 PolarHBondContact N-O 2.88Å; H465-D468 PolarHBondContact O-N 3.06Å; H465-L470 HydrophobicContact CB-CD1 3.54Å; H465-L470 HydrophobicContact CB-CD2 3.39Å; H465-L470 HydrophobicContact CB-CG 3.98Å |
| 466 | D | 89.3 | Confident | 95.4 | Very high | 125 Ų | 125 | 25.8 Ų | 25.8 | 67% | 0.668 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -113.7 | -168.4 | -58.3 | -32.9 | 0 | 0 | 0 | 112.2 | R464 | R464-D466 WeakPolarHBondContact CG-O 3.44Å; R464-D466 PolarHBondContact NE-O 2.85Å |
| 467 | V | 91.7 | Very high | 95.2 | Very high | 74 Ų | 74 | 27.6 Ų | 27.6 | 45% | 0.448 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -15.1 | 178.6 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | H465 A491 L492 G493 Y494 | H465-V467 PolarHBondContact O-N 2.98Å; H465-V467 VanDerWaalsContact O-N 3.13Å; V467-A491 CarbonylContact O-C 3.12Å; V467-A491 WeakPolarHBondContact O-CA 3.3Å; V467-L492 PolarHBondContact O-N 3.35Å; V467-G493 WeakPolarHBondContact O-CA 3.46Å; V467-G493 PolarHBondContact O-N 3.32Å; V467-Y494 PolarHBondContact O-N 2.84Å |
| 468 | D | 95.8 | Very high | 95 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 165.2 | -172.4 | -62.6 | -35.6 | 0 | 0 | 0 | 112 | H465 L470 T488 N490 A491 | H465-D468 PolarHBondContact N-O 2.88Å; H465-D468 PolarHBondContact O-N 3.06Å; D468-L470 HydrophobicContact CB-CD1 3.62Å; D468-T488 HydrophobicContact CB-CG2 4Å; D468-N490 VanDerWaalsContact OD1-CA 3.27Å; D468-N490 WeakPolarHBondContact OD1-CA 3.2Å; D468-A491 PolarHBondContact OD1-N 3.16Å |
| 469 | A | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L448 T488 F489 L492 | L448-A469 HydrophobicContact CD1-CB 3.42Å; L448-A469 VanDerWaalsContact CD1-CB 3.42Å; A469-T488 WeakPolarHBondContact O-CA 3.26Å; A469-F489 HydrophobicContact CB-CB 4.27Å; A469-F489 PolarHBondContact N-O 3.35Å; A469-F489 VanDerWaalsContact N-O 3.1Å; A469-F489 PolarHBondContact O-N 3.09Å; A469-L492 HydrophobicContact CB-CB 3.79Å; A469-L492 HydrophobicContact CB-CD2 3.88Å; A469-L492 HydrophobicContact CB-CG 4.15Å |
| 470 | L | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.7 | -173.3 | -77.1 | 50.3 | 0 | 0 | 0 | 108.8 | V14 L19 C462 L463 H465 D468 W472 T488 | V14-L470 HydrophobicContact CG1-CD2 4.04Å; V14-L470 HydrophobicContact CG2-CD2 4.11Å; L19-L470 HydrophobicContact CD2-CD1 4.37Å; C462-L470 CarbonylContact C-O 3.54Å; C462-L470 VanDerWaalsContact CA-O 3.31Å; C462-L470 WeakPolarHBondContact CA-O 3.45Å; L463-L470 PolarHBondContact N-O 3.22Å; L463-L470 PolarHBondContact O-N 2.63Å; H465-L470 HydrophobicContact CB-CD1 3.54Å; H465-L470 HydrophobicContact CB-CD2 3.39Å; H465-L470 HydrophobicContact CB-CG 3.98Å; D468-L470 HydrophobicContact CB-CD1 3.62Å; L470-W472 HydrophobicContact CB-CZ2 4.49Å; L470-W472 HydrophobicContact CD2-CZ2 4.03Å; L470-W472 VanDerWaalsContact O-CD1 3.31Å; L470-T488 HydrophobicContact CD1-CG2 4.2Å |
| 471 | V | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122 | 178.3 | -172.7 | 0 | 0 | 0 | 0 | 109 | C460 V486 A487 F489 F511 | C460-V471 HydrophobicContact CB-CG1 3.58Å; V471-V486 HydrophobicContact CB-CG2 4.17Å; V471-V486 HydrophobicContact CG1-CG2 3.89Å; V471-V486 WeakPolarHBondContact O-CG2 3.48Å; V471-V486 PolarHBondContact O-N 3.15Å; V471-A487 HydrophobicContact CB-CB 4.11Å; V471-A487 HydrophobicContact CG2-CB 4.14Å; V471-A487 PolarHBondContact N-O 2.69Å; V471-F489 HydrophobicContact CG2-CD2 4.05Å; V471-F489 HydrophobicContact CG2-CE2 3.66Å; V471-F511 HydrophobicContact CG1-CE1 3.85Å; V471-F511 HydrophobicContact CG1-CZ 4.31Å |
| 472 | W | 97.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123 | 179.6 | -57.4 | 84.4 | 0 | 0 | 0 | 109.6 | L12 K13 V14 C460 L461 L470 P474 W483 E484 H485 | L12-W472 HydrophobicContact CB-CE3 4.44Å; L12-W472 HydrophobicContact CB-CH2 3.53Å; L12-W472 HydrophobicContact CB-CZ2 3.92Å; L12-W472 HydrophobicContact CB-CZ3 3.81Å; L12-W472 HydrophobicContact CD1-CD2 4.29Å; L12-W472 HydrophobicContact CD1-CH2 4.45Å; L12-W472 HydrophobicContact CD1-CZ2 4.07Å; L12-W472 HydrophobicContact CD2-CD2 4.47Å; L12-W472 HydrophobicContact CD2-CE3 4.14Å; L12-W472 HydrophobicContact CD2-CZ3 4.26Å; L12-W472 HydrophobicContact CG-CH2 4.42Å; L12-W472 HydrophobicContact CG-CZ3 4.46Å; K13-W472 WeakPolarHBondContact O-CH2 3.38Å; K13-W472 WeakPolarHBondContact O-CZ3 3.28Å; V14-W472 HydrophobicContact CG2-CH2 3.9Å; V14-W472 HydrophobicContact CG2-CZ2 4.05Å; C460-W472 WeakPolarHBondContact CA-O 3.48Å; L461-W472 HydrophobicContact CD1-CB 3.61Å; L461-W472 HydrophobicContact CD1-CG 3.88Å; L461-W472 HydrophobicContact CG-CB 3.85Å; L461-W472 PolarHBondContact N-O 3.05Å; L461-W472 PolarHBondContact O-N 3.37Å; L470-W472 HydrophobicContact CB-CZ2 4.49Å; L470-W472 HydrophobicContact CD2-CZ2 4.03Å; L470-W472 VanDerWaalsContact O-CD1 3.31Å; W472-P474 WeakPolarHBondContact O-CD 3.39Å; W472-W483 HydrophobicContact CE3-CB 4.09Å; W472-E484 CarbonylContact C-O 3.56Å; W472-E484 VanDerWaalsContact CA-O 3.29Å; W472-E484 WeakPolarHBondContact CA-O 3.25Å; W472-H485 HydrophobicContact CE3-CB 4.02Å; W472-H485 HydrophobicContact CH2-CB 3.99Å; W472-H485 HydrophobicContact CZ3-CB 3.74Å |
| 473 | Q | 97.7 | Very high | 92.5 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.5 | 173 | 177.4 | 61.3 | 71.2 | 0 | 0 | 109.1 | M458 C460 R475 E484 V486 | M458-Q473 PolarHBondContact O-NE2 2.92Å; C460-Q473 PolarHBondContact SG-OE1 3.05Å; Q473-R475 VanDerWaalsContact CG-CZ 3.4Å; Q473-E484 PolarHBondContact N-O 3.28Å; Q473-E484 PolarHBondContact O-N 3.38Å; Q473-V486 HydrophobicContact CB-CG1 3.61Å; Q473-V486 HydrophobicContact CB-CG2 4.05Å |
| 474 | P | 96.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 134.3 | 168.3 | -23.7 | 33.9 | 0 | 0 | 0 | 112.4 | Y239 M250 M458 L461 W472 L482 | Y239-P474 WeakPolarHBondContact OH-CG 3.39Å; M250-P474 HydrophobicContact CE-CB 4.01Å; M250-P474 HydrophobicContact SD-CB 3.61Å; M250-P474 HydrophobicContact SD-CG 4.17Å; M458-P474 HydrophobicContact CB-CB 3.95Å; M458-P474 HydrophobicContact CB-CG 4.03Å; M458-P474 HydrophobicContact CG-CB 4.39Å; M458-P474 HydrophobicContact SD-CB 3.84Å; L461-P474 HydrophobicContact CD2-CG 4.49Å; W472-P474 WeakPolarHBondContact O-CD 3.39Å; P474-L482 CarbonylContact C-O 3.5Å; P474-L482 WeakPolarHBondContact CA-O 3.27Å |
| 475 | R | 95 | Very high | 92.7 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | trans | -126.9 | 71.6 | -178.9 | -63.7 | -61.1 | -171.1 | -158.2 | -6.5 | 110.5 | Q457 Q473 D477 R478 L482 E484 | Q457-R475 VanDerWaalsContact NE2-NH1 3.12Å; Q473-R475 VanDerWaalsContact CG-CZ 3.4Å; R475-D477 WeakPolarHBondContact CA-OD1 3.4Å; R475-D477 PolarHBondContact O-N 2.67Å; R475-D477 VanDerWaalsContact O-N 3.12Å; R475-R478 HydrophobicContact CB-CB 3.99Å; R475-R478 HydrophobicContact CB-CG 4.08Å; R475-R478 PolarHBondContact O-N 2.62Å; R475-L482 PolarHBondContact N-O 3.1Å; R475-L482 WeakPolarHBondContact O-CD2 3.46Å; R475-E484 HydrophobicContact CG-CB 3.99Å; R475-E484 IonicContact CZ-OE2 3.97Å; R475-E484 IonicContact NE-OE2 3.29Å; R475-E484 PolarHBondContact NE-OE2 2.82Å; R475-E484 IonicContact NH2-OE2 3.8Å; R475-E484 PolarHBondContact NH2-OE2 3.03Å | ||
| 476 | P | 90.6 | Very high | 93 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.2 | 178.8 | 24.9 | -32.8 | 0 | 0 | 0 | 112.9 | A243 M250 M458 R478 | A243-P476 HydrophobicContact CB-CB 4.15Å; A243-P476 HydrophobicContact CB-CG 4.2Å; M250-P476 HydrophobicContact CE-CB 4.38Å; M458-P476 HydrophobicContact SD-CG 4.13Å; P476-R478 PolarHBondContact O-N 3.47Å |
| 477 | D | 88.5 | Confident | 93.4 | Very high | 115 Ų | 115 | 33.1 Ų | 33.1 | 62% | 0.615 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -12.8 | 172.3 | 62 | -56.2 | 0 | 0 | 0 | 114.1 | R475 P479 | R475-D477 WeakPolarHBondContact CA-OD1 3.4Å; R475-D477 PolarHBondContact O-N 2.67Å; R475-D477 VanDerWaalsContact O-N 3.12Å; D477-P479 WeakPolarHBondContact O-CD 3.2Å |
| 478 | R | 89.6 | Confident | 93.7 | Very high | 97 Ų | 97 | 30 Ų | 30 | 37% | 0.366 | 17% | 0.171 | S | C | . | . | trans | -122.1 | 78.3 | -177.5 | -56.6 | -177.1 | -169 | 173.4 | 3.2 | 110.8 | R475 P476 G480 D481 L482 E484 | R475-R478 HydrophobicContact CB-CB 3.99Å; R475-R478 HydrophobicContact CB-CG 4.08Å; R475-R478 PolarHBondContact O-N 2.62Å; P476-R478 PolarHBondContact O-N 3.47Å; R478-G480 PolarHBondContact O-N 3.35Å; R478-D481 HydrophobicContact CB-CB 4.47Å; R478-D481 CarbonylContact O-C 3.49Å; R478-D481 PolarHBondContact O-N 2.92Å; R478-L482 PolarHBondContact O-N 3.04Å; R478-E484 IonicContact CZ-OE1 3.44Å; R478-E484 IonicContact NH1-OE1 3.93Å; R478-E484 PolarHBondContact NH1-OE1 3.06Å; R478-E484 IonicContact NH1-OE2 2.71Å | ||
| 479 | P | 78.3 | Confident | 93.8 | Very high | 89 Ų | 89 | 29 Ų | 29 | 58% | 0.578 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.4 | -172.9 | 22.6 | -33.9 | 0 | 0 | 0 | 115.3 | Q438 D477 | Q438-P479 PolarHBondContact NE2-O 3Å; D477-P479 WeakPolarHBondContact O-CD 3.2Å |
| 480 | G | 82.4 | Confident | 93.7 | Very high | 55 Ų | 55 | 29.4 Ų | 29.4 | 57% | 0.567 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y10 K13 R478 | Y10-G480 PolarHBondContact OH-O 3.49Å; K13-G480 PolarHBondContact NZ-O 3.06Å; R478-G480 PolarHBondContact O-N 3.35Å |
| 481 | D | 87.9 | Confident | 93.5 | Very high | 50 Ų | 50 | 30.4 Ų | 30.4 | 27% | 0.267 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -149.8 | 58.7 | -178.7 | -155 | 40.2 | 0 | 0 | 0 | 111.4 | Y10 K13 R478 W483 | Y10-D481 VanDerWaalsContact OH-CA 3.3Å; Y10-D481 WeakPolarHBondContact OH-CA 3.47Å; K13-D481 IonicContact NZ-OD1 3.44Å; K13-D481 PolarHBondContact NZ-OD1 2.88Å; R478-D481 HydrophobicContact CB-CB 4.47Å; R478-D481 CarbonylContact O-C 3.49Å; R478-D481 PolarHBondContact O-N 2.92Å; D481-W483 VanDerWaalsContact C-N 3.26Å; D481-W483 PolarHBondContact O-N 2.76Å |
| 482 | L | 90.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | trans | -66.7 | -22.2 | -170.7 | -78.9 | -178.2 | 0 | 0 | 0 | 114.6 | Y10 M250 H428 Q438 P474 R475 R478 | Y10-L482 PolarHBondContact OH-N 2.94Å; M250-L482 HydrophobicContact CE-CD2 4.26Å; H428-L482 HydrophobicContact CB-CD1 4.02Å; Q438-L482 HydrophobicContact CB-CD1 3.84Å; Q438-L482 HydrophobicContact CG-CD1 3.61Å; Q438-L482 VanDerWaalsContact OE1-CD1 3.23Å; P474-L482 CarbonylContact C-O 3.5Å; P474-L482 WeakPolarHBondContact CA-O 3.27Å; R475-L482 PolarHBondContact N-O 3.1Å; R475-L482 WeakPolarHBondContact O-CD2 3.46Å; R478-L482 PolarHBondContact O-N 3.04Å | ||
| 483 | W | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 105.3 | -177.8 | -61.5 | -72.6 | 0 | 0 | 0 | 109.2 | Y10 L12 L426 H428 Q438 V440 W472 D481 | Y10-W483 AromaticContact CD1-CE3 3.62Å; Y10-W483 HydrophobicContact CD1-CE3 3.62Å; Y10-W483 AromaticContact CD1-CZ3 3.44Å; Y10-W483 HydrophobicContact CD1-CZ3 3.44Å; Y10-W483 VanDerWaalsContact CD1-CZ3 3.44Å; Y10-W483 HydrophobicContact CD2-CZ3 4.44Å; Y10-W483 AromaticContact CE1-CE3 3.5Å; Y10-W483 HydrophobicContact CE1-CE3 3.5Å; Y10-W483 AromaticContact CE1-CZ3 3.77Å; Y10-W483 HydrophobicContact CE1-CZ3 3.77Å; Y10-W483 HydrophobicContact CG-CE3 4.41Å; Y10-W483 AromaticContact CG-CZ3 3.82Å; Y10-W483 HydrophobicContact CG-CZ3 3.82Å; L12-W483 HydrophobicContact CD2-CB 3.58Å; L12-W483 HydrophobicContact CD2-CD2 4.03Å; L12-W483 HydrophobicContact CD2-CE3 3.97Å; L12-W483 HydrophobicContact CD2-CG 3.9Å; L426-W483 HydrophobicContact CD1-CZ2 4.38Å; L426-W483 HydrophobicContact CD2-CD2 3.89Å; L426-W483 VanDerWaalsContact CD2-CE2 3.44Å; L426-W483 HydrophobicContact CD2-CG 4.12Å; L426-W483 HydrophobicContact CD2-CZ2 3.85Å; L426-W483 HydrophobicContact CG-CH2 4.43Å; L426-W483 HydrophobicContact CG-CZ2 3.65Å; H428-W483 HydrophobicContact CB-CZ2 4.39Å; Q438-W483 HydrophobicContact CB-CH2 3.76Å; Q438-W483 HydrophobicContact CB-CZ3 3.99Å; V440-W483 HydrophobicContact CG2-CD2 4.47Å; V440-W483 HydrophobicContact CG2-CE3 3.71Å; V440-W483 HydrophobicContact CG2-CH2 3.6Å; V440-W483 HydrophobicContact CG2-CZ2 4.38Å; V440-W483 HydrophobicContact CG2-CZ3 3.22Å; W472-W483 HydrophobicContact CE3-CB 4.09Å; D481-W483 VanDerWaalsContact C-N 3.26Å; D481-W483 PolarHBondContact O-N 2.76Å |
| 484 | E | 96.5 | Very high | 92.8 | Very high | 50 Ų | 50 | 37.1 Ų | 37.1 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 124.4 | -179.2 | -178 | 178.8 | -132.3 | 0 | 0 | 109.6 | W472 Q473 R475 R478 V486 | W472-E484 CarbonylContact C-O 3.56Å; W472-E484 VanDerWaalsContact CA-O 3.29Å; W472-E484 WeakPolarHBondContact CA-O 3.25Å; Q473-E484 PolarHBondContact N-O 3.28Å; Q473-E484 PolarHBondContact O-N 3.38Å; R475-E484 HydrophobicContact CG-CB 3.99Å; R475-E484 IonicContact CZ-OE2 3.97Å; R475-E484 IonicContact NE-OE2 3.29Å; R475-E484 PolarHBondContact NE-OE2 2.82Å; R475-E484 IonicContact NH2-OE2 3.8Å; R475-E484 PolarHBondContact NH2-OE2 3.03Å; R478-E484 IonicContact CZ-OE1 3.44Å; R478-E484 IonicContact NH1-OE1 3.93Å; R478-E484 PolarHBondContact NH1-OE1 3.06Å; R478-E484 IonicContact NH1-OE2 2.71Å; E484-V486 HydrophobicContact CB-CG1 4.27Å; E484-V486 HydrophobicContact CG-CG1 3.83Å; E484-V486 PolarHBondContact O-N 2.82Å |
| 485 | H | 97.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 109.5 | 169.5 | 179.1 | -153 | 0 | 0 | 0 | 109.1 | N15 L18 W472 A487 T488 | N15-H485 HydrophobicContact CB-CB 4.05Å; N15-H485 PolarHBondContact N-ND1 3.14Å; N15-H485 PolarHBondContact O-ND1 2.67Å; L18-H485 WeakPolarHBondContact CD1-O 3.11Å; W472-H485 HydrophobicContact CE3-CB 4.02Å; W472-H485 HydrophobicContact CH2-CB 3.99Å; W472-H485 HydrophobicContact CZ3-CB 3.74Å; H485-A487 PolarHBondContact CD2-O 2.81Å; H485-A487 PolarHBondContact NE2-O 3.41Å; H485-T488 PolarHBondContact CE1-OG1 2.82Å; H485-T488 PolarHBondContact NE2-OG1 2.85Å |
| 486 | V | 97.8 | Very high | 92.4 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -24.1 | -172.7 | -66.8 | 0 | 0 | 0 | 0 | 114.5 | V471 Q473 E484 F511 | V471-V486 HydrophobicContact CB-CG2 4.17Å; V471-V486 HydrophobicContact CG1-CG2 3.89Å; V471-V486 WeakPolarHBondContact O-CG2 3.48Å; V471-V486 PolarHBondContact O-N 3.15Å; Q473-V486 HydrophobicContact CB-CG1 3.61Å; Q473-V486 HydrophobicContact CB-CG2 4.05Å; E484-V486 HydrophobicContact CB-CG1 4.27Å; E484-V486 HydrophobicContact CG-CG1 3.83Å; E484-V486 PolarHBondContact O-N 2.82Å; V486-F511 HydrophobicContact CG2-CE2 4.21Å; V486-F511 HydrophobicContact CG2-CZ 3.88Å |
| 487 | A | 97.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 36 Ų | 36 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 154.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V471 H485 F511 | V471-A487 HydrophobicContact CB-CB 4.11Å; V471-A487 HydrophobicContact CG2-CB 4.14Å; V471-A487 PolarHBondContact N-O 2.69Å; H485-A487 PolarHBondContact CD2-O 2.81Å; H485-A487 PolarHBondContact NE2-O 3.41Å; A487-F511 HydrophobicContact CB-CB 3.88Å; A487-F511 HydrophobicContact CB-CD1 3.98Å; A487-F511 HydrophobicContact CB-CD2 3.65Å; A487-F511 HydrophobicContact CB-CE1 4.42Å; A487-F511 HydrophobicContact CB-CE2 4.12Å; A487-F511 HydrophobicContact CB-CG 3.55Å; A487-F511 HydrophobicContact CB-CZ 4.47Å |
| 488 | T | 97.8 | Very high | 92.1 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.7 | 172.8 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | L18 L19 D468 A469 L470 H485 Q528 | L18-T488 VanDerWaalsContact O-CB 3.27Å; L18-T488 WeakPolarHBondContact O-CB 3.37Å; L18-T488 PolarHBondContact O-OG1 3.48Å; L19-T488 HydrophobicContact CD2-CG2 4.08Å; D468-T488 HydrophobicContact CB-CG2 4Å; A469-T488 WeakPolarHBondContact O-CA 3.26Å; L470-T488 HydrophobicContact CD1-CG2 4.2Å; H485-T488 PolarHBondContact CE1-OG1 2.82Å; H485-T488 PolarHBondContact NE2-OG1 2.85Å; T488-Q528 PolarHBondContact O-NE2 2.99Å |
| 489 | F | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 103.6 | 163.7 | -61.2 | -76.4 | 0 | 0 | 0 | 109.1 | F449 A469 V471 L492 C507 F511 A514 Q528 | F449-F489 HydrophobicContact CZ-CE2 4.36Å; A469-F489 HydrophobicContact CB-CB 4.27Å; A469-F489 PolarHBondContact N-O 3.35Å; A469-F489 VanDerWaalsContact N-O 3.1Å; A469-F489 PolarHBondContact O-N 3.09Å; V471-F489 HydrophobicContact CG2-CD2 4.05Å; V471-F489 HydrophobicContact CG2-CE2 3.66Å; F489-L492 HydrophobicContact CB-CB 3.64Å; F489-L492 HydrophobicContact CB-CD2 3.56Å; F489-L492 HydrophobicContact CB-CG 4.21Å; F489-L492 HydrophobicContact CD2-CD2 4.08Å; F489-L492 HydrophobicContact CG-CD2 3.9Å; F489-L492 WeakPolarHBondContact O-CB 3.24Å; F489-L492 PolarHBondContact O-N 2.78Å; F489-C507 HydrophobicContact CE1-CB 4.24Å; F489-C507 HydrophobicContact CE2-CB 3.64Å; F489-C507 HydrophobicContact CZ-CB 3.32Å; F489-F511 WeakPolarHBondContact CE1-O 3.31Å; F489-F511 HydrophobicContact CZ-CB 4.11Å; F489-F511 HydrophobicContact CZ-CD1 4.42Å; F489-A514 HydrophobicContact CD1-CB 3.76Å; F489-A514 HydrophobicContact CD2-CB 4.3Å; F489-A514 HydrophobicContact CE1-CB 3.91Å; F489-A514 HydrophobicContact CE2-CB 4.41Å; F489-A514 HydrophobicContact CG-CB 3.99Å; F489-A514 HydrophobicContact CZ-CB 4.25Å; F489-Q528 VanDerWaalsContact CD1-NE2 3.27Å |
| 490 | N | 95.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 138.5 | -174.3 | -57.2 | -63 | 0 | 0 | 0 | 111.6 | F23 Y26 D468 L492 | F23-N490 HydrophobicContact CB-CB 3.81Å; F23-N490 HydrophobicContact CD1-CB 3.53Å; F23-N490 HydrophobicContact CD2-CB 3.5Å; F23-N490 VanDerWaalsContact CD2-CB 3.5Å; F23-N490 HydrophobicContact CE1-CB 3.9Å; F23-N490 HydrophobicContact CE2-CB 3.87Å; F23-N490 HydrophobicContact CG-CB 3.3Å; F23-N490 HydrophobicContact CZ-CB 4.06Å; Y26-N490 WeakPolarHBondContact CE2-O 3.43Å; Y26-N490 PolarHBondContact OH-O 3.3Å; D468-N490 VanDerWaalsContact OD1-CA 3.27Å; D468-N490 WeakPolarHBondContact OD1-CA 3.2Å; N490-L492 PolarHBondContact O-N 3.47Å |
| 491 | A | 94.7 | Very high | 92.6 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 5.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | F23 Y26 V467 D468 G493 Y494 V495 | F23-A491 HydrophobicContact CD1-CB 3.91Å; F23-A491 HydrophobicContact CE1-CB 3.69Å; Y26-A491 HydrophobicContact CE2-CB 4.42Å; V467-A491 CarbonylContact O-C 3.12Å; V467-A491 WeakPolarHBondContact O-CA 3.3Å; D468-A491 PolarHBondContact OD1-N 3.16Å; A491-G493 VanDerWaalsContact C-N 3.33Å; A491-G493 PolarHBondContact O-N 2.85Å; A491-Y494 PolarHBondContact O-N 3.08Å; A491-V495 VanDerWaalsContact O-CG2 3.28Å; A491-V495 WeakPolarHBondContact O-CG2 3.31Å; A491-V495 PolarHBondContact O-N 3.31Å |
| 492 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -33.4 | -173.8 | -174.4 | 71.3 | 0 | 0 | 0 | 111.3 | F449 V467 A469 F489 N490 Y494 V495 Q496 A514 L516 Y526 | F449-L492 HydrophobicContact CE1-CD2 4.28Å; V467-L492 PolarHBondContact O-N 3.35Å; A469-L492 HydrophobicContact CB-CB 3.79Å; A469-L492 HydrophobicContact CB-CD2 3.88Å; A469-L492 HydrophobicContact CB-CG 4.15Å; F489-L492 HydrophobicContact CB-CB 3.64Å; F489-L492 HydrophobicContact CB-CD2 3.56Å; F489-L492 HydrophobicContact CB-CG 4.21Å; F489-L492 HydrophobicContact CD2-CD2 4.08Å; F489-L492 HydrophobicContact CG-CD2 3.9Å; F489-L492 WeakPolarHBondContact O-CB 3.24Å; F489-L492 PolarHBondContact O-N 2.78Å; N490-L492 PolarHBondContact O-N 3.47Å; L492-Y494 VanDerWaalsContact C-N 3.33Å; L492-Y494 PolarHBondContact O-N 3.44Å; L492-V495 HydrophobicContact CD1-CG1 4.46Å; L492-V495 PolarHBondContact O-N 2.8Å; L492-Q496 WeakPolarHBondContact O-CB 3.47Å; L492-Q496 PolarHBondContact O-N 2.79Å; L492-A514 HydrophobicContact CD1-CB 4.22Å; L492-A514 HydrophobicContact CD2-CB 3.45Å; L492-A514 VanDerWaalsContact CD2-CB 3.45Å; L492-A514 HydrophobicContact CG-CB 4.5Å; L492-L516 HydrophobicContact CD1-CD1 4.46Å; L492-Y526 HydrophobicContact CD1-CD2 3.91Å; L492-Y526 HydrophobicContact CD1-CE2 4.42Å; L492-Y526 HydrophobicContact CD1-CG 4.1Å |
| 493 | G | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.8 | -46 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V467 A491 A497 | V467-G493 WeakPolarHBondContact O-CA 3.46Å; V467-G493 PolarHBondContact O-N 3.32Å; A491-G493 VanDerWaalsContact C-N 3.33Å; A491-G493 PolarHBondContact O-N 2.85Å; G493-A497 PolarHBondContact O-N 3.13Å |
| 494 | Y | 90.8 | Very high | 92.9 | Very high | 149 Ų | 149 | 42.7 Ų | 42.7 | 58% | 0.584 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.3 | -47.2 | 174.1 | 176.4 | -98.1 | 0 | 0 | 0 | 112.5 | V467 A491 L492 Q496 A497 S498 | V467-Y494 PolarHBondContact O-N 2.84Å; A491-Y494 PolarHBondContact O-N 3.08Å; L492-Y494 VanDerWaalsContact C-N 3.33Å; L492-Y494 PolarHBondContact O-N 3.44Å; Y494-Q496 VanDerWaalsContact C-N 3.32Å; Y494-Q496 PolarHBondContact O-N 3.08Å; Y494-A497 PolarHBondContact O-N 3.05Å; Y494-S498 PolarHBondContact O-N 2.86Å |
| 495 | V | 92.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 13% | 0.127 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 179.7 | 165.6 | 0 | 0 | 0 | 0 | 111 | A491 L492 A497 S498 K499 L516 Y526 | A491-V495 VanDerWaalsContact O-CG2 3.28Å; A491-V495 WeakPolarHBondContact O-CG2 3.31Å; A491-V495 PolarHBondContact O-N 3.31Å; L492-V495 HydrophobicContact CD1-CG1 4.46Å; L492-V495 PolarHBondContact O-N 2.8Å; V495-A497 VanDerWaalsContact C-N 3.32Å; V495-A497 PolarHBondContact O-N 3.4Å; V495-S498 PolarHBondContact O-N 2.92Å; V495-S498 PolarHBondContact O-OG 3.49Å; V495-K499 WeakPolarHBondContact O-CG 3.48Å; V495-L516 HydrophobicContact CG1-CD1 4.19Å; V495-Y526 HydrophobicContact CG1-CD1 4.4Å; V495-Y526 HydrophobicContact CG1-CE1 3.57Å; V495-Y526 HydrophobicContact CG1-CE2 3.97Å; V495-Y526 WeakPolarHBondContact CG1-OH 2.95Å; V495-Y526 HydrophobicContact CG2-CE1 4.49Å |
| 496 | Q | 89.6 | Confident | 92.8 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -36.7 | -176.4 | -159.4 | -145.8 | -3.1 | 0 | 0 | 111.5 | L492 Y494 S498 K499 R502 S505 L516 | L492-Q496 WeakPolarHBondContact O-CB 3.47Å; L492-Q496 PolarHBondContact O-N 2.79Å; Y494-Q496 VanDerWaalsContact C-N 3.32Å; Y494-Q496 PolarHBondContact O-N 3.08Å; Q496-S498 VanDerWaalsContact C-N 3.31Å; Q496-S498 PolarHBondContact O-N 3.18Å; Q496-K499 PolarHBondContact O-N 2.94Å; Q496-R502 VanDerWaalsContact CD-CZ 3.48Å; Q496-R502 VanDerWaalsContact CD-NH1 3.32Å; Q496-R502 PolarHBondContact O-NH1 3.34Å; Q496-S505 PolarHBondContact NE2-OG 3.44Å; Q496-L516 HydrophobicContact CB-CD1 4.31Å; Q496-L516 HydrophobicContact CG-CD1 4.17Å; Q496-L516 HydrophobicContact CG-CD2 3.97Å |
| 497 | A | 86.8 | Confident | 92.8 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 26% | 0.256 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.3 | -32.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G493 Y494 V495 K499 | G493-A497 PolarHBondContact O-N 3.13Å; Y494-A497 PolarHBondContact O-N 3.05Å; V495-A497 VanDerWaalsContact C-N 3.32Å; V495-A497 PolarHBondContact O-N 3.4Å; A497-K499 PolarHBondContact O-N 2.89Å |
| 498 | S | 87.3 | Confident | 92.7 | Very high | 75 Ų | 75 | 39 Ų | 39 | 52% | 0.524 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.2 | 176.6 | 77.7 | 0 | 0 | 0 | 0 | 114.6 | Y494 V495 Q496 R500 | Y494-S498 PolarHBondContact O-N 2.86Å; V495-S498 PolarHBondContact O-N 2.92Å; V495-S498 PolarHBondContact O-OG 3.49Å; Q496-S498 VanDerWaalsContact C-N 3.31Å; Q496-S498 PolarHBondContact O-N 3.18Å; S498-R500 PolarHBondContact O-N 3.34Å |
| 499 | K | 88.1 | Confident | 92.6 | Very high | 44 Ų | 44 | 39 Ų | 39 | 19% | 0.191 | 19% | 0.189 | C | C | . | . | trans | -97.8 | 81.2 | -174.4 | -63.1 | -67.9 | -176.7 | 165.5 | 0 | 111.3 | V495 Q496 A497 D501 R502 L516 F524 | V495-K499 WeakPolarHBondContact O-CG 3.48Å; Q496-K499 PolarHBondContact O-N 2.94Å; A497-K499 PolarHBondContact O-N 2.89Å; K499-D501 VanDerWaalsContact C-N 3.32Å; K499-D501 PolarHBondContact O-N 2.96Å; K499-R502 HydrophobicContact CB-CB 4.08Å; K499-R502 WeakPolarHBondContact O-CB 3.48Å; K499-R502 PolarHBondContact O-N 3.44Å; K499-L516 HydrophobicContact CG-CD1 4.29Å; K499-F524 HydrophobicContact CD-CE2 4.39Å | ||
| 500 | R | 83.9 | Confident | 92.5 | Very high | 207 Ų | 207 | 42.3 Ų | 42.3 | 78% | 0.781 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -34.9 | -176.5 | -65.1 | -174.5 | 176.5 | -176.6 | -2.5 | 114.4 | S498 R502 | S498-R500 PolarHBondContact O-N 3.34Å; R500-R502 VanDerWaalsContact C-N 3.28Å; R500-R502 PolarHBondContact O-N 2.76Å |
| 501 | D | 88.1 | Confident | 92.5 | Very high | 100 Ų | 100 | 43.7 Ų | 43.7 | 54% | 0.535 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 14 | -179.1 | -61.4 | -36.1 | 0 | 0 | 0 | 113.7 | K499 K503 E518 C519 | K499-D501 VanDerWaalsContact C-N 3.32Å; K499-D501 PolarHBondContact O-N 2.96Å; D501-K503 PolarHBondContact O-N 3.02Å; D501-E518 HydrophobicContact CB-CB 4.49Å; D501-E518 HydrophobicContact CB-CG 4.2Å; D501-E518 CarbonylContact O-C 3.53Å; D501-E518 WeakPolarHBondContact O-CA 3.31Å; D501-E518 WeakPolarHBondContact O-CB 3.44Å; D501-C519 PolarHBondContact O-N 2.87Å; D501-C519 PolarHBondContact O-SG 2.8Å |
| 502 | R | 91.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 123.1 | -179.7 | -178.1 | -166.5 | 82.5 | -139.5 | 7.6 | 110.5 | Q496 K499 R500 S505 | Q496-R502 VanDerWaalsContact CD-CZ 3.48Å; Q496-R502 VanDerWaalsContact CD-NH1 3.32Å; Q496-R502 PolarHBondContact O-NH1 3.34Å; K499-R502 HydrophobicContact CB-CB 4.08Å; K499-R502 WeakPolarHBondContact O-CB 3.48Å; K499-R502 PolarHBondContact O-N 3.44Å; R500-R502 VanDerWaalsContact C-N 3.28Å; R500-R502 PolarHBondContact O-N 2.76Å; R502-S505 VanDerWaalsContact CD-OG 3.26Å; R502-S505 WeakPolarHBondContact CD-OG 3.44Å |
| 503 | K | 92.4 | Very high | 92.5 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 18% | 0.178 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -46 | 173.4 | -169.1 | 169.5 | -179.2 | 173.7 | 0 | 112.7 | M64 D501 C517 V562 | M64-K503 VanDerWaalsContact CE-O 3.26Å; M64-K503 WeakPolarHBondContact CE-O 3.47Å; D501-K503 PolarHBondContact O-N 3.02Å; K503-C517 PolarHBondContact N-O 3.14Å; K503-V562 VanDerWaalsContact CD-O 3.26Å; K503-V562 WeakPolarHBondContact CD-O 3.04Å; K503-V562 WeakPolarHBondContact CE-O 3.41Å; K503-V562 PolarHBondContact NZ-O 3.09Å |
| 504 | F | 95.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.7 | -177 | -62.9 | -69.4 | 0 | 0 | 0 | 112.3 | N66 C517 V562 F565 | N66-F504 HydrophobicContact CB-CE1 4.08Å; F504-C517 HydrophobicContact CB-CB 4.16Å; F504-C517 PolarHBondContact N-O 3.45Å; F504-C517 VanDerWaalsContact N-O 3.11Å; F504-C517 PolarHBondContact O-N 3.17Å; F504-V562 HydrophobicContact CD2-CG1 3.91Å; F504-V562 HydrophobicContact CE2-CG1 3.91Å; F504-F565 HydrophobicContact CB-CB 3.53Å; F504-F565 HydrophobicContact CB-CD1 3.5Å; F504-F565 HydrophobicContact CB-CE1 4.39Å; F504-F565 HydrophobicContact CB-CG 3.76Å; F504-F565 HydrophobicContact CD1-CB 4.43Å; F504-F565 HydrophobicContact CD2-CB 3.63Å; F504-F565 HydrophobicContact CE2-CB 4.44Å; F504-F565 HydrophobicContact CG-CB 3.62Å; F504-F565 HydrophobicContact CG-CG 4.38Å |
| 505 | S | 96.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 138.4 | 175 | -55.9 | 0 | 0 | 0 | 0 | 108.3 | F449 Q496 R502 A515 L516 | F449-S505 WeakPolarHBondContact CB-O 3.34Å; Q496-S505 PolarHBondContact NE2-OG 3.44Å; R502-S505 VanDerWaalsContact CD-OG 3.26Å; R502-S505 WeakPolarHBondContact CD-OG 3.44Å; S505-A515 WeakPolarHBondContact CA-O 3.37Å; S505-L516 VanDerWaalsContact OG-CD2 3.32Å; S505-L516 WeakPolarHBondContact OG-CD2 3.45Å |
| 506 | T | 96.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 173 | 177.4 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | A515 F565 A567 L572 | T506-A515 HydrophobicContact CG2-CB 4.09Å; T506-A515 PolarHBondContact N-O 2.98Å; T506-A515 PolarHBondContact O-N 3.32Å; T506-F565 HydrophobicContact CG2-CD1 3.81Å; T506-F565 HydrophobicContact CG2-CE1 3.56Å; T506-F565 HydrophobicContact CG2-CZ 4.43Å; T506-A567 HydrophobicContact CG2-CB 3.54Å; T506-L572 HydrophobicContact CG2-CD1 4.15Å |
| 507 | C | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 170 | 164.1 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | F449 F489 F513 A514 A567 | F449-C507 HydrophobicContact CE2-CB 4.11Å; F449-C507 HydrophobicContact CZ-CB 4.26Å; F489-C507 HydrophobicContact CE1-CB 4.24Å; F489-C507 HydrophobicContact CE2-CB 3.64Å; F489-C507 HydrophobicContact CZ-CB 3.32Å; C507-F513 VanDerWaalsContact CA-O 3.31Å; C507-F513 WeakPolarHBondContact CA-O 3.34Å; C507-F513 WeakPolarHBondContact CB-O 3.38Å; C507-A514 HydrophobicContact CB-CB 4.32Å; C507-A567 WeakPolarHBondContact O-CB 3.49Å |
| 508 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -65.7 | 142.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D510 F511 F513 | A508-D510 WeakPolarHBondContact CB-OD1 3.27Å; A508-D510 PolarHBondContact O-N 3.43Å; A508-F511 WeakPolarHBondContact O-CA 3.02Å; A508-F511 PolarHBondContact O-N 3.34Å; A508-F513 HydrophobicContact CB-CD1 3.8Å; A508-F513 HydrophobicContact CB-CE1 3.55Å; A508-F513 HydrophobicContact CB-CE2 4.37Å; A508-F513 HydrophobicContact CB-CG 4.32Å; A508-F513 HydrophobicContact CB-CZ 3.83Å; A508-F513 PolarHBondContact N-O 3.49Å | ||
| 509 | P | 95.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -33.9 | 172.1 | -29.8 | 34.8 | 0 | 0 | 0 | 114.7 | V453 F511 N569 | V453-P509 WeakPolarHBondContact CG1-O 3.36Å; P509-F511 VanDerWaalsContact C-N 3.27Å; P509-F511 PolarHBondContact O-N 3Å; P509-N569 WeakPolarHBondContact CB-OD1 3.22Å; P509-N569 WeakPolarHBondContact CD-OD1 3.17Å |
| 510 | D | 95.2 | Very high | 94.3 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 3.4 | 176.3 | 72.1 | -3.3 | 0 | 0 | 0 | 114.3 | A508 S512 N569 N587 | A508-D510 WeakPolarHBondContact CB-OD1 3.27Å; A508-D510 PolarHBondContact O-N 3.43Å; D510-S512 PolarHBondContact O-N 2.82Å; D510-S512 VanDerWaalsContact O-N 3.16Å; D510-S512 WeakPolarHBondContact OD1-CB 3.4Å; D510-S512 PolarHBondContact OD1-N 2.82Å; D510-S512 PolarHBondContact OD1-OG 2.9Å; D510-S512 PolarHBondContact OD2-OG 3.09Å; D510-N569 WeakPolarHBondContact CB-OD1 3.14Å; D510-N569 PolarHBondContact N-OD1 3.12Å; D510-N569 PolarHBondContact OD1-OD1 3.13Å; D510-N587 PolarHBondContact OD2-ND2 2.9Å |
| 511 | F | 96.1 | Very high | 94.6 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 17% | 0.167 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 60.5 | 15.6 | -177.7 | -43.1 | -60.1 | 0 | 0 | 0 | 115.7 | V453 V471 V486 A487 F489 A508 P509 F513 Q528 | V453-F511 HydrophobicContact CG1-CZ 4.14Å; V453-F511 HydrophobicContact CG2-CE1 3.62Å; V453-F511 HydrophobicContact CG2-CZ 3.63Å; V471-F511 HydrophobicContact CG1-CE1 3.85Å; V471-F511 HydrophobicContact CG1-CZ 4.31Å; V486-F511 HydrophobicContact CG2-CE2 4.21Å; V486-F511 HydrophobicContact CG2-CZ 3.88Å; A487-F511 HydrophobicContact CB-CB 3.88Å; A487-F511 HydrophobicContact CB-CD1 3.98Å; A487-F511 HydrophobicContact CB-CD2 3.65Å; A487-F511 HydrophobicContact CB-CE1 4.42Å; A487-F511 HydrophobicContact CB-CE2 4.12Å; A487-F511 HydrophobicContact CB-CG 3.55Å; A487-F511 HydrophobicContact CB-CZ 4.47Å; F489-F511 WeakPolarHBondContact CE1-O 3.31Å; F489-F511 HydrophobicContact CZ-CB 4.11Å; F489-F511 HydrophobicContact CZ-CD1 4.42Å; A508-F511 WeakPolarHBondContact O-CA 3.02Å; A508-F511 PolarHBondContact O-N 3.34Å; P509-F511 VanDerWaalsContact C-N 3.27Å; P509-F511 PolarHBondContact O-N 3Å; F511-F513 VanDerWaalsContact C-N 3.26Å; F511-F513 PolarHBondContact O-N 2.88Å; F511-Q528 WeakPolarHBondContact O-CG 3.4Å |
| 512 | S | 95 | Very high | 94.9 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 12% | 0.119 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -66 | -26.9 | -179.7 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | D510 Q528 N587 | D510-S512 PolarHBondContact O-N 2.82Å; D510-S512 VanDerWaalsContact O-N 3.16Å; D510-S512 WeakPolarHBondContact OD1-CB 3.4Å; D510-S512 PolarHBondContact OD1-N 2.82Å; D510-S512 PolarHBondContact OD1-OG 2.9Å; D510-S512 PolarHBondContact OD2-OG 3.09Å; S512-Q528 WeakPolarHBondContact O-CG 3.38Å; S512-Q528 PolarHBondContact O-N 3.18Å; S512-N587 WeakPolarHBondContact CB-ND2 3.19Å; S512-N587 WeakPolarHBondContact CB-OD1 3.26Å; S512-N587 PolarHBondContact OG-ND2 2.83Å; S512-N587 PolarHBondContact OG-OD1 2.81Å |
| 513 | F | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 155.7 | 173.5 | 68.8 | -93.7 | 0 | 0 | 0 | 112.8 | C507 A508 F511 A515 L525 Y526 R527 A567 S568 V585 | C507-F513 VanDerWaalsContact CA-O 3.31Å; C507-F513 WeakPolarHBondContact CA-O 3.34Å; C507-F513 WeakPolarHBondContact CB-O 3.38Å; A508-F513 HydrophobicContact CB-CD1 3.8Å; A508-F513 HydrophobicContact CB-CE1 3.55Å; A508-F513 HydrophobicContact CB-CE2 4.37Å; A508-F513 HydrophobicContact CB-CG 4.32Å; A508-F513 HydrophobicContact CB-CZ 3.83Å; A508-F513 PolarHBondContact N-O 3.49Å; F511-F513 VanDerWaalsContact C-N 3.26Å; F511-F513 PolarHBondContact O-N 2.88Å; F513-A515 HydrophobicContact CD2-CB 4.28Å; F513-A515 HydrophobicContact CE2-CB 4.16Å; F513-L525 HydrophobicContact CD2-CD2 3.72Å; F513-L525 HydrophobicContact CE2-CD2 3.86Å; F513-Y526 CarbonylContact C-O 3.54Å; F513-Y526 WeakPolarHBondContact CA-O 3.28Å; F513-Y526 WeakPolarHBondContact CB-O 3.42Å; F513-R527 HydrophobicContact CB-CG 4.07Å; F513-A567 HydrophobicContact CE2-CB 4.13Å; F513-A567 HydrophobicContact CZ-CB 4.18Å; F513-S568 WeakPolarHBondContact CZ-O 3.5Å; F513-V585 HydrophobicContact CD1-CG2 4.48Å; F513-V585 HydrophobicContact CE1-CB 4.16Å; F513-V585 HydrophobicContact CE1-CG2 3.49Å; F513-V585 VanDerWaalsContact CE1-CG2 3.49Å; F513-V585 HydrophobicContact CE2-CG2 4.42Å; F513-V585 HydrophobicContact CZ-CB 4.31Å; F513-V585 HydrophobicContact CZ-CG2 3.48Å; F513-V585 VanDerWaalsContact CZ-CG2 3.48Å |
| 514 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 150.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F489 L492 C507 Y526 | F489-A514 HydrophobicContact CD1-CB 3.76Å; F489-A514 HydrophobicContact CD2-CB 4.3Å; F489-A514 HydrophobicContact CE1-CB 3.91Å; F489-A514 HydrophobicContact CE2-CB 4.41Å; F489-A514 HydrophobicContact CG-CB 3.99Å; F489-A514 HydrophobicContact CZ-CB 4.25Å; L492-A514 HydrophobicContact CD1-CB 4.22Å; L492-A514 HydrophobicContact CD2-CB 3.45Å; L492-A514 VanDerWaalsContact CD2-CB 3.45Å; L492-A514 HydrophobicContact CG-CB 4.5Å; C507-A514 HydrophobicContact CB-CB 4.32Å; A514-Y526 PolarHBondContact N-O 2.61Å; A514-Y526 PolarHBondContact O-N 3.24Å |
| 515 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S505 T506 F513 F524 L525 F565 L572 | S505-A515 WeakPolarHBondContact CA-O 3.37Å; T506-A515 HydrophobicContact CG2-CB 4.09Å; T506-A515 PolarHBondContact N-O 2.98Å; T506-A515 PolarHBondContact O-N 3.32Å; F513-A515 HydrophobicContact CD2-CB 4.28Å; F513-A515 HydrophobicContact CE2-CB 4.16Å; A515-F524 CarbonylContact C-O 3.47Å; A515-F524 VanDerWaalsContact CA-O 3.27Å; A515-F524 WeakPolarHBondContact CA-O 3.43Å; A515-L525 HydrophobicContact CB-CD2 3.68Å; A515-F565 HydrophobicContact CB-CE1 3.96Å; A515-F565 HydrophobicContact CB-CZ 3.74Å; A515-L572 HydrophobicContact CB-CD1 3.92Å; A515-L572 HydrophobicContact CB-CD2 4.32Å |
| 516 | L | 97.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.1 | 175.7 | -52.4 | -177.6 | 0 | 0 | 0 | 109.1 | L492 V495 Q496 K499 S505 V523 F524 Y526 | L492-L516 HydrophobicContact CD1-CD1 4.46Å; V495-L516 HydrophobicContact CG1-CD1 4.19Å; Q496-L516 HydrophobicContact CB-CD1 4.31Å; Q496-L516 HydrophobicContact CG-CD1 4.17Å; Q496-L516 HydrophobicContact CG-CD2 3.97Å; K499-L516 HydrophobicContact CG-CD1 4.29Å; S505-L516 VanDerWaalsContact OG-CD2 3.32Å; S505-L516 WeakPolarHBondContact OG-CD2 3.45Å; L516-V523 WeakPolarHBondContact O-CA 3.45Å; L516-F524 HydrophobicContact CB-CB 4.37Å; L516-F524 PolarHBondContact N-O 2.72Å; L516-F524 PolarHBondContact O-N 3.4Å; L516-Y526 HydrophobicContact CB-CE2 4.38Å; L516-Y526 HydrophobicContact CD1-CD2 4.41Å; L516-Y526 HydrophobicContact CD1-CE2 3.64Å; L516-Y526 HydrophobicContact CG-CD2 4.25Å; L516-Y526 HydrophobicContact CG-CE2 3.79Å |
| 517 | C | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.4 | 176.1 | -166.5 | 0 | 0 | 0 | 0 | 110 | K503 F504 F565 | K503-C517 PolarHBondContact N-O 3.14Å; F504-C517 HydrophobicContact CB-CB 4.16Å; F504-C517 PolarHBondContact N-O 3.45Å; F504-C517 VanDerWaalsContact N-O 3.11Å; F504-C517 PolarHBondContact O-N 3.17Å; C517-F565 HydrophobicContact CB-CD1 4.09Å; C517-F565 HydrophobicContact CB-CD2 3.69Å; C517-F565 HydrophobicContact CB-CE1 3.94Å; C517-F565 HydrophobicContact CB-CE2 3.57Å; C517-F565 HydrophobicContact CB-CG 3.94Å; C517-F565 HydrophobicContact CB-CZ 3.68Å |
| 518 | E | 94.2 | Very high | 95 | Very high | 15 Ų | 15 | 30 Ų | 30 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 167.6 | 168.6 | -73.7 | 178.4 | -171.4 | 0 | 0 | 111.4 | D501 L520 R522 F524 | D501-E518 HydrophobicContact CB-CB 4.49Å; D501-E518 HydrophobicContact CB-CG 4.2Å; D501-E518 CarbonylContact O-C 3.53Å; D501-E518 WeakPolarHBondContact O-CA 3.31Å; D501-E518 WeakPolarHBondContact O-CB 3.44Å; E518-L520 PolarHBondContact O-N 2.84Å; E518-R522 HydrophobicContact CB-CB 4.44Å; E518-R522 HydrophobicContact CG-CB 4.48Å; E518-R522 PolarHBondContact N-O 3.35Å; E518-R522 IonicContact OE1-CZ 3.42Å; E518-R522 IonicContact OE1-NE 3.78Å; E518-R522 PolarHBondContact OE1-NE 2.92Å; E518-R522 IonicContact OE1-NH2 2.9Å; E518-R522 PolarHBondContact OE1-NH2 2.81Å; E518-R522 IonicContact OE2-CZ 2.99Å; E518-R522 IonicContact OE2-NE 3.04Å; E518-R522 PolarHBondContact OE2-NE 3.24Å; E518-R522 IonicContact OE2-NH2 2.88Å; E518-R522 PolarHBondContact OE2-NH2 3.18Å; E518-F524 HydrophobicContact CG-CE2 3.94Å; E518-F524 WeakPolarHBondContact OE1-CE2 3.06Å; E518-F524 WeakPolarHBondContact OE1-CZ 3.42Å |
| 519 | C | 91.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 32 Ų | 32 | 39% | 0.385 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -54.4 | -33.1 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | D501 P561 V562 | D501-C519 PolarHBondContact O-N 2.87Å; D501-C519 PolarHBondContact O-SG 2.8Å; C519-P561 WeakPolarHBondContact O-CA 3.44Å; C519-V562 PolarHBondContact O-N 3.02Å |
| 520 | L | 91.6 | Very high | 94.1 | Very high | 83 Ų | 83 | 33 Ų | 33 | 44% | 0.435 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -138.2 | 137.6 | -176.7 | -63.1 | 172.3 | 0 | 0 | 0 | 111.1 | E518 R522 P561 | E518-L520 PolarHBondContact O-N 2.84Å; L520-R522 PolarHBondContact O-N 3.36Å; L520-P561 HydrophobicContact CD2-CB 4.5Å; L520-P561 HydrophobicContact CD2-CG 4.35Å |
| 521 | R | 88.8 | Confident | 93.3 | Very high | 136 Ų | 136 | 34.3 Ų | 34.3 | 51% | 0.513 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 61.7 | -37 | 162.9 | -66.6 | 177.5 | -177.4 | -176.2 | 4.5 | 118.7 | S555 L556 S558 | R521-S555 CarbonylContact O-C 3.55Å; R521-S555 WeakPolarHBondContact O-CA 3.44Å; R521-L556 WeakPolarHBondContact O-CG 3.29Å; R521-L556 PolarHBondContact O-N 3.29Å; R521-S558 WeakPolarHBondContact CG-O 3.15Å; R521-S558 PolarHBondContact NE-O 2.86Å; R521-S558 VanDerWaalsContact NE-O 3.09Å |
| 522 | R | 94.1 | Very high | 92.2 | Very high | 110 Ų | 110 | 34.4 Ų | 34.4 | 42% | 0.415 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 131.9 | -167.3 | -68 | -173.1 | -65.5 | -154.9 | -0.2 | 112.3 | E518 L520 F524 | E518-R522 HydrophobicContact CB-CB 4.44Å; E518-R522 HydrophobicContact CG-CB 4.48Å; E518-R522 PolarHBondContact N-O 3.35Å; E518-R522 IonicContact OE1-CZ 3.42Å; E518-R522 IonicContact OE1-NE 3.78Å; E518-R522 PolarHBondContact OE1-NE 2.92Å; E518-R522 IonicContact OE1-NH2 2.9Å; E518-R522 PolarHBondContact OE1-NH2 2.81Å; E518-R522 IonicContact OE2-CZ 2.99Å; E518-R522 IonicContact OE2-NE 3.04Å; E518-R522 PolarHBondContact OE2-NE 3.24Å; E518-R522 IonicContact OE2-NH2 2.88Å; E518-R522 PolarHBondContact OE2-NH2 3.18Å; L520-R522 PolarHBondContact O-N 3.36Å; R522-F524 HydrophobicContact CB-CE2 4Å; R522-F524 HydrophobicContact CB-CZ 4.16Å |
| 523 | V | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.8 | 172.5 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | L516 V553 S554 L556 F565 L572 V574 L583 | L516-V523 WeakPolarHBondContact O-CA 3.45Å; V523-V553 CarbonylContact O-C 3.51Å; V523-V553 WeakPolarHBondContact O-CA 3.4Å; V523-S554 PolarHBondContact N-O 3.01Å; V523-S554 PolarHBondContact O-N 2.99Å; V523-L556 HydrophobicContact CG2-CD1 4.02Å; V523-L556 HydrophobicContact CG2-CD2 4.33Å; V523-L556 HydrophobicContact CG2-CG 4.22Å; V523-F565 HydrophobicContact CG1-CE2 4.16Å; V523-F565 HydrophobicContact CG1-CZ 4.22Å; V523-F565 HydrophobicContact CG2-CE2 4.33Å; V523-L572 HydrophobicContact CG1-CD2 3.33Å; V523-V574 HydrophobicContact CG2-CG2 4.11Å; V523-L583 HydrophobicContact CB-CD2 4.48Å; V523-L583 HydrophobicContact CG1-CD2 4.36Å |
| 524 | F | 96.4 | Very high | 89.5 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.2 | 175.2 | -57.1 | -89.2 | 0 | 0 | 0 | 109.3 | K499 A515 L516 E518 R522 Y526 Q552 V553 | K499-F524 HydrophobicContact CD-CE2 4.39Å; A515-F524 CarbonylContact C-O 3.47Å; A515-F524 VanDerWaalsContact CA-O 3.27Å; A515-F524 WeakPolarHBondContact CA-O 3.43Å; L516-F524 HydrophobicContact CB-CB 4.37Å; L516-F524 PolarHBondContact N-O 2.72Å; L516-F524 PolarHBondContact O-N 3.4Å; E518-F524 HydrophobicContact CG-CE2 3.94Å; E518-F524 WeakPolarHBondContact OE1-CE2 3.06Å; E518-F524 WeakPolarHBondContact OE1-CZ 3.42Å; R522-F524 HydrophobicContact CB-CE2 4Å; R522-F524 HydrophobicContact CB-CZ 4.16Å; F524-Y526 HydrophobicContact CB-CD2 4.41Å; F524-Y526 HydrophobicContact CB-CE2 3.52Å; F524-Q552 WeakPolarHBondContact CA-O 3.49Å; F524-V553 HydrophobicContact CD1-CB 4.45Å; F524-V553 HydrophobicContact CD1-CG1 4.12Å; F524-V553 HydrophobicContact CD1-CG2 3.67Å; F524-V553 HydrophobicContact CE1-CG1 3.87Å; F524-V553 HydrophobicContact CE1-CG2 3.83Å; F524-V553 HydrophobicContact CZ-CG1 4.45Å |
| 525 | L | 96.5 | Very high | 88 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.8 | 172.7 | -68.3 | 173.6 | 0 | 0 | 0 | 109.4 | I33 F513 A515 Q551 Q552 L572 V585 | I33-L525 HydrophobicContact CD1-CD1 3.54Å; I33-L525 HydrophobicContact CD1-CG 4.44Å; I33-L525 HydrophobicContact CG1-CD1 4.22Å; F513-L525 HydrophobicContact CD2-CD2 3.72Å; F513-L525 HydrophobicContact CE2-CD2 3.86Å; A515-L525 HydrophobicContact CB-CD2 3.68Å; L525-Q551 CarbonylContact O-C 3.55Å; L525-Q551 VanDerWaalsContact O-CA 3.28Å; L525-Q551 WeakPolarHBondContact O-CA 3.36Å; L525-Q552 HydrophobicContact CB-CB 4.32Å; L525-Q552 PolarHBondContact N-O 3.37Å; L525-Q552 PolarHBondContact O-N 2.8Å; L525-L572 HydrophobicContact CD2-CD2 4.18Å; L525-V585 HydrophobicContact CD1-CB 4.33Å; L525-V585 HydrophobicContact CD1-CG1 3.42Å; L525-V585 VanDerWaalsContact CD1-CG1 3.42Å; L525-V585 HydrophobicContact CD2-CG1 4.32Å |
| 526 | Y | 96.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 99.4 | 179 | -62.1 | -83.2 | 0 | 0 | 0 | 108.1 | Y26 L492 V495 F513 A514 L516 F524 Q551 | Y26-Y526 HydrophobicContact CD1-CD1 4.02Å; Y26-Y526 AromaticContact CD2-CD1 3.9Å; Y26-Y526 HydrophobicContact CD2-CD1 3.9Å; Y26-Y526 HydrophobicContact CD2-CE1 4.49Å; Y26-Y526 HydrophobicContact CE1-CD1 4.21Å; Y26-Y526 HydrophobicContact CE1-CG 4.47Å; Y26-Y526 HydrophobicContact CE2-CD1 4.09Å; Y26-Y526 AromaticContact CG-CD1 3.87Å; Y26-Y526 HydrophobicContact CG-CD1 3.87Å; L492-Y526 HydrophobicContact CD1-CD2 3.91Å; L492-Y526 HydrophobicContact CD1-CE2 4.42Å; L492-Y526 HydrophobicContact CD1-CG 4.1Å; V495-Y526 HydrophobicContact CG1-CD1 4.4Å; V495-Y526 HydrophobicContact CG1-CE1 3.57Å; V495-Y526 HydrophobicContact CG1-CE2 3.97Å; V495-Y526 WeakPolarHBondContact CG1-OH 2.95Å; V495-Y526 HydrophobicContact CG2-CE1 4.49Å; F513-Y526 CarbonylContact C-O 3.54Å; F513-Y526 WeakPolarHBondContact CA-O 3.28Å; F513-Y526 WeakPolarHBondContact CB-O 3.42Å; A514-Y526 PolarHBondContact N-O 2.61Å; A514-Y526 PolarHBondContact O-N 3.24Å; L516-Y526 HydrophobicContact CB-CE2 4.38Å; L516-Y526 HydrophobicContact CD1-CD2 4.41Å; L516-Y526 HydrophobicContact CD1-CE2 3.64Å; L516-Y526 HydrophobicContact CG-CD2 4.25Å; L516-Y526 HydrophobicContact CG-CE2 3.79Å; F524-Y526 HydrophobicContact CB-CD2 4.41Å; F524-Y526 HydrophobicContact CB-CE2 3.52Å; Y526-Q551 HydrophobicContact CD1-CB 4.33Å; Y526-Q551 HydrophobicContact CD1-CG 4.21Å; Y526-Q551 HydrophobicContact CE1-CB 4.31Å; Y526-Q551 HydrophobicContact CE1-CG 3.8Å |
| 527 | R | 94.8 | Very high | 85.2 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 11% | 0.109 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 141.9 | -177.6 | -63.5 | -173.8 | 176.8 | -85.9 | 1.2 | 111.2 | F513 A549 K550 V585 N587 | F513-R527 HydrophobicContact CB-CG 4.07Å; R527-A549 WeakPolarHBondContact O-CA 3.39Å; R527-A549 WeakPolarHBondContact O-CB 3.43Å; R527-K550 HydrophobicContact CB-CB 4.38Å; R527-K550 PolarHBondContact N-O 3.25Å; R527-K550 PolarHBondContact O-N 2.92Å; R527-V585 VanDerWaalsContact CZ-O 3.24Å; R527-V585 PolarHBondContact NH1-O 3.16Å; R527-V585 VanDerWaalsContact NH2-C 3.33Å; R527-V585 PolarHBondContact NH2-O 3.49Å; R527-N587 PolarHBondContact NH1-OD1 3.24Å |
| 528 | Q | 92.1 | Very high | 83.9 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 159 | 170.9 | -69.2 | -68.5 | 0.1 | 0 | 0 | 111.5 | T488 F489 F511 S512 S530 | T488-Q528 PolarHBondContact O-NE2 2.99Å; F489-Q528 VanDerWaalsContact CD1-NE2 3.27Å; F511-Q528 WeakPolarHBondContact O-CG 3.4Å; S512-Q528 WeakPolarHBondContact O-CG 3.38Å; S512-Q528 PolarHBondContact O-N 3.18Å; Q528-S530 PolarHBondContact O-N 2.88Å |
| 529 | P | 88.3 | Confident | 82.7 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 28% | 0.279 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 124.2 | 177.2 | -25.5 | 33.5 | 0 | 0 | 0 | 112.6 | Q547 A549 | P529-Q547 HydrophobicContact CB-CB 4.08Å; P529-A549 HydrophobicContact CG-CB 4.18Å |
| 530 | S | 84.1 | Confident | 81.7 | Confident | 29 Ų | 29 | 80 Ų | 80 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.4 | 175.2 | 48 | 0 | 0 | 0 | 0 | 110.3 | Q528 V532 Q547 V548 | Q528-S530 PolarHBondContact O-N 2.88Å; S530-V532 PolarHBondContact O-N 3.46Å; S530-Q547 CarbonylContact O-C 3.42Å; S530-Q547 WeakPolarHBondContact O-CA 3.42Å; S530-V548 PolarHBondContact N-O 2.85Å; S530-V548 VanDerWaalsContact N-O 3.1Å; S530-V548 PolarHBondContact O-N 2.82Å |
| 531 | P | 79.4 | Confident | 80.7 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 137 | 175.3 | -25 | 34.3 | 0 | 0 | 0 | 111.8 | G546 Q547 | P531-G546 WeakPolarHBondContact CA-O 3.23Å; P531-Q547 HydrophobicContact CG-CG 4.44Å |
| 532 | V | 72.8 | Confident | 79.7 | Confident | 39 Ų | 39 | 78 Ų | 78 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.3 | 177 | -166 | 0 | 0 | 0 | 0 | 109 | S530 T534 L536 G546 V548 | S530-V532 PolarHBondContact O-N 3.46Å; V532-T534 PolarHBondContact O-N 2.81Å; V532-L536 HydrophobicContact CB-CD1 4.33Å; V532-L536 HydrophobicContact CG1-CD1 3.82Å; V532-L536 HydrophobicContact CG1-CG 4.23Å; V532-L536 HydrophobicContact CG2-CD1 4.09Å; V532-G546 PolarHBondContact N-O 3.07Å; V532-G546 VanDerWaalsContact N-O 3.12Å; V532-V548 HydrophobicContact CG2-CB 3.64Å; V532-V548 HydrophobicContact CG2-CG2 3.54Å |
| 533 | E | 67.3 | Low | 78.7 | Confident | 205 Ų | 205 | 81.2 Ų | 81.2 | 96% | 0.958 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | -24 | 177.3 | -63.4 | -173.9 | 164.4 | 0 | 0 | 112.7 | ||
| 534 | T | 66.4 | Low | 77.4 | Confident | 93 Ų | 93 | 87 Ų | 87 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 144.2 | 179.7 | 56 | 0 | 0 | 0 | 0 | 111.8 | V532 L536 | V532-T534 PolarHBondContact O-N 2.81Å; T534-L536 PolarHBondContact O-N 2.83Å |
| 535 | V | 66.9 | Low | 76.2 | Confident | 89 Ų | 89 | 88.3 Ų | 88.3 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 100.4 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | F537 Q544 | V535-F537 HydrophobicContact CG1-CD2 4.02Å; V535-F537 HydrophobicContact CG1-CE2 3.34Å; V535-F537 HydrophobicContact CG1-CZ 3.71Å; V535-Q544 HydrophobicContact CG1-CG 3.9Å |
| 536 | L | 68.9 | Low | 75 | Confident | 71 Ų | 71 | 90.5 Ų | 90.5 | 37% | 0.372 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 140.7 | 171.9 | -68.7 | 176 | 0 | 0 | 0 | 110 | V532 T534 Q544 V545 V548 | V532-L536 HydrophobicContact CB-CD1 4.33Å; V532-L536 HydrophobicContact CG1-CD1 3.82Å; V532-L536 HydrophobicContact CG1-CG 4.23Å; V532-L536 HydrophobicContact CG2-CD1 4.09Å; T534-L536 PolarHBondContact O-N 2.83Å; L536-Q544 CarbonylContact O-C 3.54Å; L536-Q544 WeakPolarHBondContact O-CA 3.44Å; L536-V545 HydrophobicContact CB-CB 4.07Å; L536-V545 PolarHBondContact O-N 3.28Å; L536-V548 HydrophobicContact CD1-CG2 3.68Å |
| 537 | F | 67.6 | Low | 74.3 | Confident | 128 Ų | 128 | 95.9 Ų | 95.9 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133 | 173.1 | -74.3 | -84.8 | 0 | 0 | 0 | 110.4 | V535 R539 R543 Q544 | V535-F537 HydrophobicContact CG1-CD2 4.02Å; V535-F537 HydrophobicContact CG1-CE2 3.34Å; V535-F537 HydrophobicContact CG1-CZ 3.71Å; F537-R539 PolarHBondContact O-N 2.86Å; F537-R543 WeakPolarHBondContact CA-O 3.36Å; F537-Q544 HydrophobicContact CD1-CB 4.39Å; F537-Q544 HydrophobicContact CE1-CB 4.11Å |
| 538 | N | 68.1 | Low | 73.9 | Confident | 19 Ų | 19 | 95.3 Ų | 95.3 | 10% | 0.102 | 49% | 0.487 | C | S | . | . | trans | -70.3 | 112.4 | 167.4 | -174.3 | -32.7 | 0 | 0 | 0 | 108.6 | E24 K540 Q541 G542 R543 V545 | E24-N538 PolarHBondContact OE1-ND2 2.72Å; N538-K540 PolarHBondContact O-N 2.8Å; N538-K540 WeakPolarHBondContact OD1-CB 3.41Å; N538-K540 PolarHBondContact OD1-N 2.76Å; N538-Q541 HydrophobicContact CB-CB 4.44Å; N538-Q541 PolarHBondContact O-N 2.82Å; N538-Q541 PolarHBondContact OD1-N 2.78Å; N538-G542 WeakPolarHBondContact O-CA 3.12Å; N538-G542 PolarHBondContact O-N 2.78Å; N538-R543 PolarHBondContact N-O 3.27Å; N538-V545 HydrophobicContact CB-CG2 3.95Å | ||
| 539 | R | 69.7 | Low | 73.9 | Confident | 249 Ų | 249 | 93.3 Ų | 93.3 | 94% | 0.94 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.1 | -178.5 | -68.1 | -176.3 | -179 | 175.6 | 0.4 | 113.7 | F537 | F537-R539 PolarHBondContact O-N 2.86Š|
| 540 | K | 69.9 | Low | 74.1 | Confident | 196 Ų | 196 | 94 Ų | 94 | 85% | 0.852 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -37.7 | 179.9 | -68 | -176.1 | 177.6 | 179.6 | 0 | 112.4 | N538 | N538-K540 PolarHBondContact O-N 2.8Å; N538-K540 WeakPolarHBondContact OD1-CB 3.41Å; N538-K540 PolarHBondContact OD1-N 2.76Å |
| 541 | Q | 70.4 | Confident | 74.6 | Confident | 119 Ų | 119 | 94.7 Ų | 94.7 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -10.2 | -174.5 | -63 | -172.3 | -0.1 | 0 | 0 | 114.2 | N538 R543 | N538-Q541 HydrophobicContact CB-CB 4.44Å; N538-Q541 PolarHBondContact O-N 2.82Å; N538-Q541 PolarHBondContact OD1-N 2.78Å; Q541-R543 HydrophobicContact CB-CG 4.15Å; Q541-R543 PolarHBondContact O-N 2.83Å; Q541-R543 VanDerWaalsContact O-N 3.16Å |
| 542 | G | 68.3 | Low | 75.4 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | trans | 66.5 | 8.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N538 | N538-G542 WeakPolarHBondContact O-CA 3.12Å; N538-G542 PolarHBondContact O-N 2.78Å | ||
| 543 | R | 71.3 | Confident | 76.4 | Confident | 178 Ų | 178 | 91.6 Ų | 91.6 | 67% | 0.672 | 46% | 0.455 | S | S | * | . | trans | -89.4 | 144.9 | -177.1 | -60.6 | -179.2 | 94.7 | 177.1 | 5.3 | 111.2 | F537 N538 Q541 | F537-R543 WeakPolarHBondContact CA-O 3.36Å; N538-R543 PolarHBondContact N-O 3.27Å; Q541-R543 HydrophobicContact CB-CG 4.15Å; Q541-R543 PolarHBondContact O-N 2.83Å; Q541-R543 VanDerWaalsContact O-N 3.16Å | ||
| 544 | Q | 69.5 | Low | 77.7 | Confident | 123 Ų | 123 | 82.3 Ų | 82.3 | 58% | 0.575 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.9 | 170.5 | -175.5 | 176.8 | -8.6 | 0 | 0 | 109.6 | V535 L536 F537 | V535-Q544 HydrophobicContact CG1-CG 3.9Å; L536-Q544 CarbonylContact O-C 3.54Å; L536-Q544 WeakPolarHBondContact O-CA 3.44Å; F537-Q544 HydrophobicContact CD1-CB 4.39Å; F537-Q544 HydrophobicContact CE1-CB 4.11Å |
| 545 | V | 72.5 | Confident | 79.1 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 25% | 0.248 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 103.9 | 176.6 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | L536 N538 Q547 V548 | L536-V545 HydrophobicContact CB-CB 4.07Å; L536-V545 PolarHBondContact O-N 3.28Å; N538-V545 HydrophobicContact CB-CG2 3.95Å; V545-Q547 WeakPolarHBondContact CG1-O 3.32Å; V545-V548 HydrophobicContact CG1-CG2 3.65Å |
| 546 | G | 70.1 | Confident | 80.4 | Confident | 46 Ų | 46 | 78.3 Ų | 78.3 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -22 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | P531 V532 | P531-G546 WeakPolarHBondContact CA-O 3.23Å; V532-G546 PolarHBondContact N-O 3.07Å; V532-G546 VanDerWaalsContact N-O 3.12Å |
| 547 | Q | 81.8 | Confident | 81.4 | Confident | 114 Ų | 114 | 82 Ų | 82 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 146.3 | -178.9 | -65.1 | -178.3 | -17.1 | 0 | 0 | 110.9 | P529 S530 P531 V545 | P529-Q547 HydrophobicContact CB-CB 4.08Å; S530-Q547 CarbonylContact O-C 3.42Å; S530-Q547 WeakPolarHBondContact O-CA 3.42Å; P531-Q547 HydrophobicContact CG-CG 4.44Å; V545-Q547 WeakPolarHBondContact CG1-O 3.32Å |
| 548 | V | 86.8 | Confident | 82.5 | Confident | 17 Ų | 17 | 76.6 Ų | 76.6 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 131.5 | -179.9 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | R27 S530 V532 L536 V545 | R27-V548 HydrophobicContact CB-CG1 3.62Å; R27-V548 HydrophobicContact CG-CG1 3.32Å; S530-V548 PolarHBondContact N-O 2.85Å; S530-V548 VanDerWaalsContact N-O 3.1Å; S530-V548 PolarHBondContact O-N 2.82Å; V532-V548 HydrophobicContact CG2-CB 3.64Å; V532-V548 HydrophobicContact CG2-CG2 3.54Å; L536-V548 HydrophobicContact CD1-CG2 3.68Å; V545-V548 HydrophobicContact CG1-CG2 3.65Å |
| 549 | A | 92.2 | Very high | 83.5 | Confident | 5 Ų | 5 | 80.1 Ų | 80.1 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 136.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F23 Y26 R27 R527 P529 | F23-A549 HydrophobicContact CE2-CB 3.58Å; F23-A549 HydrophobicContact CZ-CB 3.97Å; Y26-A549 HydrophobicContact CD1-CB 3.71Å; Y26-A549 HydrophobicContact CE1-CB 3.93Å; R27-A549 PolarHBondContact N-O 2.87Å; R527-A549 WeakPolarHBondContact O-CA 3.39Å; R527-A549 WeakPolarHBondContact O-CB 3.43Å; P529-A549 HydrophobicContact CG-CB 4.18Å |
| 550 | K | 93.1 | Very high | 84.6 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 24% | 0.243 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.6 | -173.1 | -63.5 | 177.2 | -174.1 | 172.4 | 0 | 110.9 | R27 R527 | R27-K550 CarbonylContact O-C 3.57Å; R27-K550 VanDerWaalsContact O-CA 3.32Å; R27-K550 WeakPolarHBondContact O-CA 3.35Å; R527-K550 HydrophobicContact CB-CB 4.38Å; R527-K550 PolarHBondContact N-O 3.25Å; R527-K550 PolarHBondContact O-N 2.92Å |
| 551 | Q | 94.8 | Very high | 85.6 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 21% | 0.21 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.4 | 164.2 | 177.8 | -175 | -23.4 | 0 | 0 | 108.6 | R27 L28 S29 L525 Y526 | R27-Q551 PolarHBondContact O-N 2.81Å; L28-Q551 CarbonylContact C-O 3.58Å; L28-Q551 WeakPolarHBondContact CA-O 3.25Å; S29-Q551 PolarHBondContact N-O 2.9Å; L525-Q551 CarbonylContact O-C 3.55Å; L525-Q551 VanDerWaalsContact O-CA 3.28Å; L525-Q551 WeakPolarHBondContact O-CA 3.36Å; Y526-Q551 HydrophobicContact CD1-CB 4.33Å; Y526-Q551 HydrophobicContact CD1-CG 4.21Å; Y526-Q551 HydrophobicContact CE1-CB 4.31Å; Y526-Q551 HydrophobicContact CE1-CG 3.8Å |
| 552 | Q | 95.1 | Very high | 86.8 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 154.2 | 169.8 | -62.3 | 174.8 | -79.7 | 0 | 0 | 110 | D31 I33 F524 L525 | D31-Q552 PolarHBondContact O-NE2 2.84Å; D31-Q552 VanDerWaalsContact O-NE2 3.12Å; I33-Q552 HydrophobicContact CD1-CB 3.78Å; I33-Q552 HydrophobicContact CG1-CB 4.43Å; F524-Q552 WeakPolarHBondContact CA-O 3.49Å; L525-Q552 HydrophobicContact CB-CB 4.32Å; L525-Q552 PolarHBondContact N-O 3.37Å; L525-Q552 PolarHBondContact O-N 2.8Å |
| 553 | V | 94.6 | Very high | 88.1 | Confident | 59 Ų | 59 | 57 Ų | 57 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.8 | 178 | -170.5 | 0 | 0 | 0 | 0 | 108.5 | L28 V523 F524 | L28-V553 HydrophobicContact CD1-CG2 4.43Å; V523-V553 CarbonylContact O-C 3.51Å; V523-V553 WeakPolarHBondContact O-CA 3.4Å; F524-V553 HydrophobicContact CD1-CB 4.45Å; F524-V553 HydrophobicContact CD1-CG1 4.12Å; F524-V553 HydrophobicContact CD1-CG2 3.67Å; F524-V553 HydrophobicContact CE1-CG1 3.87Å; F524-V553 HydrophobicContact CE1-CG2 3.83Å; F524-V553 HydrophobicContact CZ-CG1 4.45Å |
| 554 | S | 94.6 | Very high | 89.3 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.7 | 170 | -171.2 | 0 | 0 | 0 | 0 | 110 | V523 | V523-S554 PolarHBondContact N-O 3.01Å; V523-S554 PolarHBondContact O-N 2.99Å |
| 555 | S | 94.4 | Very high | 90.6 | Very high | 89 Ų | 89 | 42.7 Ų | 42.7 | 62% | 0.622 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.2 | 174.8 | -66.5 | 0 | 0 | 0 | 0 | 108.7 | R521 | R521-S555 CarbonylContact O-C 3.55Å; R521-S555 WeakPolarHBondContact O-CA 3.44Å |
| 556 | L | 94.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | trans | -75.5 | 136.2 | 177.3 | -50.7 | 175.4 | 0 | 0 | 0 | 109.9 | T35 R521 V523 S558 V574 F581 L583 | T35-L556 HydrophobicContact CG2-CD2 4.49Å; R521-L556 WeakPolarHBondContact O-CG 3.29Å; R521-L556 PolarHBondContact O-N 3.29Å; V523-L556 HydrophobicContact CG2-CD1 4.02Å; V523-L556 HydrophobicContact CG2-CD2 4.33Å; V523-L556 HydrophobicContact CG2-CG 4.22Å; L556-S558 PolarHBondContact O-N 3.44Å; L556-V574 HydrophobicContact CD1-CB 4.03Å; L556-V574 HydrophobicContact CD1-CG1 3.63Å; L556-V574 HydrophobicContact CD1-CG2 4.28Å; L556-F581 HydrophobicContact CB-CD1 4.49Å; L556-F581 HydrophobicContact CB-CE1 4.34Å; L556-F581 HydrophobicContact CB-CE2 4.37Å; L556-F581 HydrophobicContact CB-CZ 4.29Å; L556-F581 HydrophobicContact CD1-CD2 4.29Å; L556-F581 HydrophobicContact CD2-CB 4.05Å; L556-F581 HydrophobicContact CD2-CD1 4.16Å; L556-F581 HydrophobicContact CD2-CD2 4.44Å; L556-F581 HydrophobicContact CD2-CG 3.96Å; L556-L583 HydrophobicContact CD2-CD1 3.85Å | ||
| 557 | D | 91.8 | Very high | 93.1 | Very high | 150 Ų | 150 | 41.5 Ų | 41.5 | 80% | 0.802 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -81.1 | 69 | 176.1 | -166.6 | 19.1 | 0 | 0 | 0 | 110.8 | ||
| 558 | S | 89.8 | Confident | 93.7 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | trans | -155 | 141.4 | 177.8 | 167.6 | 0 | 0 | 0 | 0 | 111 | R521 L556 K560 | R521-S558 WeakPolarHBondContact CG-O 3.15Å; R521-S558 PolarHBondContact NE-O 2.86Å; R521-S558 VanDerWaalsContact NE-O 3.09Å; L556-S558 PolarHBondContact O-N 3.44Å; S558-K560 WeakPolarHBondContact OG-CB 3.33Å; S558-K560 PolarHBondContact OG-N 3.42Å | ||
| 559 | D | 89.4 | Confident | 94.1 | Very high | 92 Ų | 92 | 37.3 Ų | 37.3 | 49% | 0.492 | 20% | 0.202 | S | C | . | . | trans | -92.4 | -4.7 | 169.1 | 70.8 | -31.5 | 0 | 0 | 0 | 112.8 | ||||
| 560 | K | 92.5 | Very high | 94.1 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 34% | 0.335 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -83.3 | 146.1 | -176.2 | -53.5 | -52.4 | 174.9 | -149.7 | 0 | 112.4 | S558 L577 | S558-K560 WeakPolarHBondContact OG-CB 3.33Å; S558-K560 PolarHBondContact OG-N 3.42Å; K560-L577 HydrophobicContact CB-CB 4.47Å |
| 561 | P | 91.7 | Very high | 94.2 | Very high | 57 Ų | 57 | 39.5 Ų | 39.5 | 37% | 0.37 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -53.8 | 142.7 | 172.1 | -25 | 34.5 | 0 | 0 | 0 | 112.4 | C519 L520 | C519-P561 WeakPolarHBondContact O-CA 3.44Å; L520-P561 HydrophobicContact CD2-CB 4.5Å; L520-P561 HydrophobicContact CD2-CG 4.35Å |
| 562 | V | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 125.2 | 169.9 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | K503 F504 C519 G564 V574 L575 | K503-V562 VanDerWaalsContact CD-O 3.26Å; K503-V562 WeakPolarHBondContact CD-O 3.04Å; K503-V562 WeakPolarHBondContact CE-O 3.41Å; K503-V562 PolarHBondContact NZ-O 3.09Å; F504-V562 HydrophobicContact CD2-CG1 3.91Å; F504-V562 HydrophobicContact CE2-CG1 3.91Å; C519-V562 PolarHBondContact O-N 3.02Å; V562-G564 WeakPolarHBondContact CG1-O 3.4Å; V562-V574 HydrophobicContact CB-CG1 4.32Å; V562-V574 HydrophobicContact CG1-CG1 3.45Å; V562-V574 VanDerWaalsContact CG1-CG1 3.45Å; V562-V574 HydrophobicContact CG2-CG1 3.9Å; V562-L575 CarbonylContact C-O 3.53Å |
| 563 | L | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -23 | -178.6 | -61.3 | -177.5 | 0 | 0 | 0 | 113 | V44 E46 H67 L575 L577 | V44-L563 HydrophobicContact CB-CD1 3.85Å; V44-L563 HydrophobicContact CG1-CD1 3.9Å; E46-L563 HydrophobicContact CB-CD1 4.32Å; E46-L563 HydrophobicContact CG-CD2 4.22Å; E46-L563 WeakPolarHBondContact OE1-CD2 3.4Å; H67-L563 HydrophobicContact CB-CB 4.26Å; H67-L563 PolarHBondContact N-O 2.86Å; H67-L563 PolarHBondContact ND1-O 3.36Å; L563-L575 PolarHBondContact N-O 3.42Å; L563-L577 HydrophobicContact CD1-CB 4.18Å; L563-L577 HydrophobicContact CD1-CD1 3.98Å |
| 564 | G | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N66 V562 L575 | N66-G564 WeakPolarHBondContact OD1-CA 3.41Å; V562-G564 WeakPolarHBondContact CG1-O 3.4Å; G564-L575 PolarHBondContact N-O 3.24Å; G564-L575 PolarHBondContact O-N 2.96Å |
| 565 | F | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 116.2 | -171.4 | -170.5 | -115.9 | 0 | 0 | 0 | 110.7 | N66 F504 T506 A515 C517 V523 L572 F573 V574 | N66-F565 PolarHBondContact ND2-O 2.93Å; N66-F565 PolarHBondContact OD1-N 2.9Å; F504-F565 HydrophobicContact CB-CB 3.53Å; F504-F565 HydrophobicContact CB-CD1 3.5Å; F504-F565 HydrophobicContact CB-CE1 4.39Å; F504-F565 HydrophobicContact CB-CG 3.76Å; F504-F565 HydrophobicContact CD1-CB 4.43Å; F504-F565 HydrophobicContact CD2-CB 3.63Å; F504-F565 HydrophobicContact CE2-CB 4.44Å; F504-F565 HydrophobicContact CG-CB 3.62Å; F504-F565 HydrophobicContact CG-CG 4.38Å; T506-F565 HydrophobicContact CG2-CD1 3.81Å; T506-F565 HydrophobicContact CG2-CE1 3.56Å; T506-F565 HydrophobicContact CG2-CZ 4.43Å; A515-F565 HydrophobicContact CB-CE1 3.96Å; A515-F565 HydrophobicContact CB-CZ 3.74Å; C517-F565 HydrophobicContact CB-CD1 4.09Å; C517-F565 HydrophobicContact CB-CD2 3.69Å; C517-F565 HydrophobicContact CB-CE1 3.94Å; C517-F565 HydrophobicContact CB-CE2 3.57Å; C517-F565 HydrophobicContact CB-CG 3.94Å; C517-F565 HydrophobicContact CB-CZ 3.68Å; V523-F565 HydrophobicContact CG1-CE2 4.16Å; V523-F565 HydrophobicContact CG1-CZ 4.22Å; V523-F565 HydrophobicContact CG2-CE2 4.33Å; F565-L572 HydrophobicContact CD2-CD1 4.33Å; F565-L572 HydrophobicContact CD2-CG 4.46Å; F565-L572 HydrophobicContact CE1-CD1 4.11Å; F565-L572 HydrophobicContact CE2-CD1 3.67Å; F565-L572 HydrophobicContact CE2-CD2 3.49Å; F565-L572 VanDerWaalsContact CE2-CD2 3.49Å; F565-L572 HydrophobicContact CE2-CG 3.71Å; F565-L572 HydrophobicContact CZ-CD1 3.56Å; F565-L572 HydrophobicContact CZ-CD2 3.69Å; F565-L572 HydrophobicContact CZ-CG 4.02Å; F565-F573 WeakPolarHBondContact CA-O 3.31Å; F565-V574 HydrophobicContact CD2-CB 4.45Å; F565-V574 HydrophobicContact CD2-CG1 4.26Å; F565-V574 HydrophobicContact CD2-CG2 3.83Å; F565-V574 HydrophobicContact CE2-CG2 3.86Å |
| 566 | R | 97 | Very high | 94.8 | Very high | 58 Ų | 58 | 29.2 Ų | 29.2 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 143.3 | -178.5 | -65.9 | -64.3 | -179.2 | -152.2 | 7.3 | 111.3 | N66 L68 L70 F573 | N66-R566 VanDerWaalsContact CG-CZ 3.49Å; N66-R566 PolarHBondContact ND2-NE 3.28Å; N66-R566 PolarHBondContact ND2-NH1 3.34Å; L68-R566 HydrophobicContact CB-CG 4.35Å; L68-R566 HydrophobicContact CD2-CB 4.21Å; L68-R566 HydrophobicContact CD2-CG 4.13Å; L68-R566 HydrophobicContact CG-CG 4.15Å; L68-R566 WeakPolarHBondContact O-CG 3.44Å; L68-R566 PolarHBondContact O-NE 3.32Å; L68-R566 PolarHBondContact O-NH2 3.04Å; L70-R566 HydrophobicContact CB-CB 4.11Å; L70-R566 HydrophobicContact CB-CG 4.2Å; R566-F573 PolarHBondContact N-O 2.69Å; R566-F573 PolarHBondContact O-N 2.99Å |
| 567 | A | 96.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L70 T506 C507 F513 L572 | L70-A567 WeakPolarHBondContact CD2-O 3.23Å; T506-A567 HydrophobicContact CG2-CB 3.54Å; C507-A567 WeakPolarHBondContact O-CB 3.49Å; F513-A567 HydrophobicContact CE2-CB 4.13Å; F513-A567 HydrophobicContact CZ-CB 4.18Å; A567-L572 HydrophobicContact CB-CD1 3.73Å |
| 568 | S | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | trans | -106.9 | -177.7 | 158.9 | 63.6 | 0 | 0 | 0 | 0 | 108.7 | F513 E570 R571 | F513-S568 WeakPolarHBondContact CZ-O 3.5Å; S568-E570 PolarHBondContact O-N 2.93Å; S568-E570 PolarHBondContact OG-N 2.73Å; S568-R571 PolarHBondContact N-O 3Å; S568-R571 WeakPolarHBondContact OG-CA 3.17Å; S568-R571 WeakPolarHBondContact OG-CB 3.31Å; S568-R571 PolarHBondContact OG-N 3.32Å; S568-R571 PolarHBondContact OG-O 2.89Å | ||
| 569 | N | 94.1 | Very high | 95.3 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 22% | 0.219 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -65.9 | -28.8 | 175.8 | -65 | -20.1 | 0 | 0 | 0 | 112.9 | P509 D510 | P509-N569 WeakPolarHBondContact CB-OD1 3.22Å; P509-N569 WeakPolarHBondContact CD-OD1 3.17Å; D510-N569 WeakPolarHBondContact CB-OD1 3.14Å; D510-N569 PolarHBondContact N-OD1 3.12Å; D510-N569 PolarHBondContact OD1-OD1 3.13Å |
| 570 | E | 93.6 | Very high | 95.7 | Very high | 91 Ų | 91 | 23.2 Ų | 23.2 | 43% | 0.425 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -110.6 | -20.7 | -173 | -66.3 | -171.3 | 179.4 | 0 | 0 | 113.5 | S568 V585 D586 | S568-E570 PolarHBondContact O-N 2.93Å; S568-E570 PolarHBondContact OG-N 2.73Å; E570-V585 VanDerWaalsContact C-CG2 3.4Å; E570-V585 VanDerWaalsContact O-CG2 3.32Å; E570-V585 WeakPolarHBondContact O-CG2 3.41Å; E570-V585 PolarHBondContact O-N 2.91Å; E570-D586 VanDerWaalsContact CB-OD1 3.25Å; E570-D586 WeakPolarHBondContact CB-OD1 3.39Å; E570-D586 WeakPolarHBondContact CG-OD1 3.42Å |
| 571 | R | 94.9 | Very high | 95.9 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 6% | 0.064 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 144.5 | -169 | -64.3 | 173.1 | -177 | 69.4 | 11.7 | 112.4 | D76 D95 S568 F573 V582 L583 | D76-R571 IonicContact OD1-CZ 3.11Å; D76-R571 IonicContact OD1-NE 3.53Å; D76-R571 IonicContact OD1-NH1 3.61Å; D76-R571 PolarHBondContact OD1-NH1 2.58Å; D95-R571 IonicContact OD1-CZ 3.37Å; D95-R571 IonicContact OD1-NE 3.41Å; D95-R571 PolarHBondContact OD1-NE 2.9Å; D95-R571 VanDerWaalsContact OD1-NE 3.17Å; D95-R571 IonicContact OD1-NH2 3.71Å; D95-R571 PolarHBondContact OD1-NH2 3.14Å; D95-R571 IonicContact OD2-NH2 2.67Å; S568-R571 PolarHBondContact N-O 3Å; S568-R571 WeakPolarHBondContact OG-CA 3.17Å; S568-R571 WeakPolarHBondContact OG-CB 3.31Å; S568-R571 PolarHBondContact OG-N 3.32Å; S568-R571 PolarHBondContact OG-O 2.89Å; R571-F573 HydrophobicContact CB-CD2 4.42Å; R571-F573 HydrophobicContact CB-CE2 3.76Å; R571-F573 HydrophobicContact CB-CZ 3.89Å; R571-V582 HydrophobicContact CB-CG1 4.43Å; R571-V582 HydrophobicContact CG-CG1 4.32Å; R571-L583 CarbonylContact C-O 3.52Å; R571-L583 VanDerWaalsContact CA-O 3.3Å; R571-L583 WeakPolarHBondContact CA-O 3.39Å |
| 572 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.9 | 166.6 | -175.6 | 78.5 | 0 | 0 | 0 | 109.3 | T506 A515 V523 L525 F565 A567 V574 L583 V585 | T506-L572 HydrophobicContact CG2-CD1 4.15Å; A515-L572 HydrophobicContact CB-CD1 3.92Å; A515-L572 HydrophobicContact CB-CD2 4.32Å; V523-L572 HydrophobicContact CG1-CD2 3.33Å; L525-L572 HydrophobicContact CD2-CD2 4.18Å; F565-L572 HydrophobicContact CD2-CD1 4.33Å; F565-L572 HydrophobicContact CD2-CG 4.46Å; F565-L572 HydrophobicContact CE1-CD1 4.11Å; F565-L572 HydrophobicContact CE2-CD1 3.67Å; F565-L572 HydrophobicContact CE2-CD2 3.49Å; F565-L572 VanDerWaalsContact CE2-CD2 3.49Å; F565-L572 HydrophobicContact CE2-CG 3.71Å; F565-L572 HydrophobicContact CZ-CD1 3.56Å; F565-L572 HydrophobicContact CZ-CD2 3.69Å; F565-L572 HydrophobicContact CZ-CG 4.02Å; A567-L572 HydrophobicContact CB-CD1 3.73Å; L572-V574 HydrophobicContact CD2-CG2 4.48Å; L572-V574 HydrophobicContact CG-CG2 4.49Å; L572-L583 HydrophobicContact CB-CB 4.18Å; L572-L583 HydrophobicContact CD2-CD2 4.35Å; L572-L583 PolarHBondContact N-O 3.3Å; L572-L583 PolarHBondContact O-N 2.93Å; L572-V585 HydrophobicContact CB-CG1 4.34Å |
| 573 | F | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.6 | -179.3 | -59.8 | -89.4 | 0 | 0 | 0 | 109.8 | L68 L70 V78 V92 F565 R566 R571 L580 F581 V582 | L68-F573 HydrophobicContact CD2-CB 3.56Å; L70-F573 HydrophobicContact CD1-CD2 4.12Å; L70-F573 HydrophobicContact CD1-CE2 3.93Å; V78-F573 HydrophobicContact CG1-CB 4.11Å; V78-F573 HydrophobicContact CG1-CD1 3.84Å; V78-F573 HydrophobicContact CG1-CD2 3.69Å; V78-F573 HydrophobicContact CG1-CE1 4.13Å; V78-F573 HydrophobicContact CG1-CE2 3.99Å; V78-F573 HydrophobicContact CG1-CG 3.61Å; V78-F573 HydrophobicContact CG1-CZ 4.2Å; V78-F573 HydrophobicContact CG2-CD1 4.11Å; V78-F573 HydrophobicContact CG2-CE1 4.4Å; V92-F573 HydrophobicContact CG2-CE1 3.83Å; V92-F573 HydrophobicContact CG2-CZ 4.21Å; F565-F573 WeakPolarHBondContact CA-O 3.31Å; R566-F573 PolarHBondContact N-O 2.69Å; R566-F573 PolarHBondContact O-N 2.99Å; R571-F573 HydrophobicContact CB-CD2 4.42Å; R571-F573 HydrophobicContact CB-CE2 3.76Å; R571-F573 HydrophobicContact CB-CZ 3.89Å; F573-L580 HydrophobicContact CB-CD1 4.38Å; F573-F581 WeakPolarHBondContact CA-O 3.33Å; F573-V582 HydrophobicContact CD1-CG1 4.23Å; F573-V582 HydrophobicContact CD1-CG2 3.91Å; F573-V582 HydrophobicContact CE1-CG1 3.9Å; F573-V582 HydrophobicContact CE1-CG2 4Å |
| 574 | V | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 114.8 | 178.4 | -163.8 | 0 | 0 | 0 | 0 | 109.5 | V523 L556 V562 F565 L572 F581 L583 | V523-V574 HydrophobicContact CG2-CG2 4.11Å; L556-V574 HydrophobicContact CD1-CB 4.03Å; L556-V574 HydrophobicContact CD1-CG1 3.63Å; L556-V574 HydrophobicContact CD1-CG2 4.28Å; V562-V574 HydrophobicContact CB-CG1 4.32Å; V562-V574 HydrophobicContact CG1-CG1 3.45Å; V562-V574 VanDerWaalsContact CG1-CG1 3.45Å; V562-V574 HydrophobicContact CG2-CG1 3.9Å; F565-V574 HydrophobicContact CD2-CB 4.45Å; F565-V574 HydrophobicContact CD2-CG1 4.26Å; F565-V574 HydrophobicContact CD2-CG2 3.83Å; F565-V574 HydrophobicContact CE2-CG2 3.86Å; L572-V574 HydrophobicContact CD2-CG2 4.48Å; L572-V574 HydrophobicContact CG-CG2 4.49Å; V574-F581 HydrophobicContact CB-CB 4.2Å; V574-F581 PolarHBondContact N-O 3.05Å; V574-F581 PolarHBondContact O-N 3.47Å; V574-L583 HydrophobicContact CG2-CD1 4.1Å |
| 575 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.1 | 179.5 | -174.8 | 69.6 | 0 | 0 | 0 | 109.5 | L40 V44 H67 L68 F80 V562 L563 G564 L580 | L40-L575 HydrophobicContact CD1-CD1 4.04Å; V44-L575 HydrophobicContact CG1-CD2 3.99Å; V44-L575 HydrophobicContact CG2-CD1 3.79Å; V44-L575 HydrophobicContact CG2-CD2 3.86Å; V44-L575 HydrophobicContact CG2-CG 3.85Å; H67-L575 HydrophobicContact CB-CD2 4.09Å; L68-L575 HydrophobicContact CB-CB 4.14Å; L68-L575 HydrophobicContact CB-CD2 4.12Å; L68-L575 HydrophobicContact CD1-CB 4.24Å; L68-L575 HydrophobicContact CD1-CD2 4.2Å; L68-L575 HydrophobicContact CD2-CB 4.23Å; L68-L575 HydrophobicContact CG-CB 4.45Å; F80-L575 HydrophobicContact CB-CD2 3.75Å; F80-L575 HydrophobicContact CD1-CD1 4.38Å; F80-L575 HydrophobicContact CD2-CD1 4.4Å; F80-L575 HydrophobicContact CD2-CD2 4.38Å; F80-L575 HydrophobicContact CG-CD1 4.3Å; F80-L575 HydrophobicContact CG-CD2 4.04Å; V562-L575 CarbonylContact C-O 3.53Å; L563-L575 PolarHBondContact N-O 3.42Å; G564-L575 PolarHBondContact N-O 3.24Å; G564-L575 PolarHBondContact O-N 2.96Å; L575-L580 HydrophobicContact CB-CD1 4.31Å; L575-L580 HydrophobicContact CD1-CB 4.17Å; L575-L580 HydrophobicContact CD1-CD1 4.21Å |
| 576 | T | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 178.8 | 166.9 | 73.7 | 0 | 0 | 0 | 0 | 109.5 | V44 S578 H579 F581 | V44-T576 VanDerWaalsContact CG2-O 3.28Å; V44-T576 WeakPolarHBondContact CG2-O 3.32Å; T576-S578 PolarHBondContact O-N 2.88Å; T576-S578 VanDerWaalsContact O-N 3.12Å; T576-H579 PolarHBondContact N-O 3.31Å; T576-H579 PolarHBondContact OG1-N 3.48Å; T576-H579 VanDerWaalsContact OG1-N 3.13Å; T576-H579 PolarHBondContact OG1-O 3.01Å; T576-F581 HydrophobicContact CG2-CD2 4.19Å; T576-F581 HydrophobicContact CG2-CE2 3.77Å |
| 577 | L | 94.7 | Very high | 92.9 | Very high | 54 Ų | 54 | 23.2 Ų | 23.2 | 28% | 0.283 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -55.3 | -31.6 | 179.7 | -170.3 | 67.2 | 0 | 0 | 0 | 113.5 | A43 V44 E46 K560 L563 | A43-L577 CarbonylContact C-O 3.55Å; A43-L577 WeakPolarHBondContact CA-O 3.26Å; A43-L577 HydrophobicContact CB-CD1 4.02Å; A43-L577 HydrophobicContact CB-CG 4.03Å; V44-L577 PolarHBondContact N-O 2.59Å; E46-L577 HydrophobicContact CB-CD1 4.3Å; K560-L577 HydrophobicContact CB-CB 4.47Å; L563-L577 HydrophobicContact CD1-CB 4.18Å; L563-L577 HydrophobicContact CD1-CD1 3.98Å |
| 578 | S | 95.1 | Very high | 90.6 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 26% | 0.259 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -129 | -5.5 | -173.2 | 56.8 | 0 | 0 | 0 | 0 | 115.3 | L40 T576 | L40-S578 WeakPolarHBondContact CB-O 3.42Å; L40-S578 WeakPolarHBondContact CG-O 3.42Å; L40-S578 PolarHBondContact N-O 3.18Å; T576-S578 PolarHBondContact O-N 2.88Å; T576-S578 VanDerWaalsContact O-N 3.12Å |
| 579 | H | 96.6 | Very high | 90.3 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 21% | 0.213 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149.7 | -176.9 | -64.3 | 80.8 | 0 | 0 | 0 | 111.7 | T37 V38 T576 F581 | T37-H579 HydrophobicContact CG2-CB 4.23Å; V38-H579 CarbonylContact O-C 3.56Å; V38-H579 WeakPolarHBondContact O-CA 3.05Å; T576-H579 PolarHBondContact N-O 3.31Å; T576-H579 PolarHBondContact OG1-N 3.48Å; T576-H579 VanDerWaalsContact OG1-N 3.13Å; T576-H579 PolarHBondContact OG1-O 3.01Å; H579-F581 HydrophobicContact CB-CD2 4.35Å; H579-F581 HydrophobicContact CB-CE2 3.72Å; H579-F581 HydrophobicContact CB-CZ 4Å |
| 580 | L | 97.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117 | 165.2 | 176.5 | 57.1 | 0 | 0 | 0 | 108.7 | V38 L40 L68 V78 F80 L90 F573 L575 | V38-L580 HydrophobicContact CB-CB 4.41Å; V38-L580 PolarHBondContact N-O 3.07Å; V38-L580 PolarHBondContact O-N 2.85Å; L40-L580 HydrophobicContact CD2-CB 4.38Å; L68-L580 HydrophobicContact CD1-CD1 4.33Å; L68-L580 HydrophobicContact CD2-CD1 4.35Å; V78-L580 HydrophobicContact CG2-CD2 3.8Å; F80-L580 HydrophobicContact CE1-CD2 4.38Å; L90-L580 HydrophobicContact CB-CD2 4.17Å; L90-L580 HydrophobicContact CD2-CD2 3.45Å; L90-L580 VanDerWaalsContact CD2-CD2 3.45Å; L90-L580 HydrophobicContact CD2-CG 4.33Å; L90-L580 HydrophobicContact CG-CD2 4.42Å; F573-L580 HydrophobicContact CB-CD1 4.38Å; L575-L580 HydrophobicContact CB-CD1 4.31Å; L575-L580 HydrophobicContact CD1-CB 4.17Å; L575-L580 HydrophobicContact CD1-CD1 4.21Å |
| 581 | F | 96.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 135.5 | 175.2 | -60.4 | -89.5 | 0 | 0 | 0 | 110.1 | T35 Y36 T37 L556 F573 V574 T576 H579 L583 | T35-F581 HydrophobicContact CG2-CD1 4.25Å; Y36-F581 CarbonylContact O-C 3.58Å; Y36-F581 WeakPolarHBondContact O-CA 3.48Å; T37-F581 HydrophobicContact CG2-CD1 4.04Å; T37-F581 HydrophobicContact CG2-CE1 3.7Å; T37-F581 HydrophobicContact CG2-CZ 4.2Å; T37-F581 WeakPolarHBondContact OG1-CD1 3.47Å; T37-F581 WeakPolarHBondContact OG1-CE1 3.39Å; L556-F581 HydrophobicContact CB-CD1 4.49Å; L556-F581 HydrophobicContact CB-CE1 4.34Å; L556-F581 HydrophobicContact CB-CE2 4.37Å; L556-F581 HydrophobicContact CB-CZ 4.29Å; L556-F581 HydrophobicContact CD1-CD2 4.29Å; L556-F581 HydrophobicContact CD2-CB 4.05Å; L556-F581 HydrophobicContact CD2-CD1 4.16Å; L556-F581 HydrophobicContact CD2-CD2 4.44Å; L556-F581 HydrophobicContact CD2-CG 3.96Å; F573-F581 WeakPolarHBondContact CA-O 3.33Å; V574-F581 HydrophobicContact CB-CB 4.2Å; V574-F581 PolarHBondContact N-O 3.05Å; V574-F581 PolarHBondContact O-N 3.47Å; T576-F581 HydrophobicContact CG2-CD2 4.19Å; T576-F581 HydrophobicContact CG2-CE2 3.77Å; H579-F581 HydrophobicContact CB-CD2 4.35Å; H579-F581 HydrophobicContact CB-CE2 3.72Å; H579-F581 HydrophobicContact CB-CZ 4Å; F581-L583 HydrophobicContact CB-CD1 3.98Å |
| 582 | V | 96.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 110.4 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 107.8 | Y36 V92 L98 R571 F573 | Y36-V582 WeakPolarHBondContact CD2-O 3.49Å; Y36-V582 PolarHBondContact N-O 3.11Å; Y36-V582 PolarHBondContact O-N 2.99Å; V92-V582 HydrophobicContact CG2-CG1 4.21Å; V92-V582 HydrophobicContact CG2-CG2 4.48Å; L98-V582 HydrophobicContact CD1-CB 4.22Å; L98-V582 HydrophobicContact CD1-CG2 3.85Å; R571-V582 HydrophobicContact CB-CG1 4.43Å; R571-V582 HydrophobicContact CG-CG1 4.32Å; F573-V582 HydrophobicContact CD1-CG1 4.23Å; F573-V582 HydrophobicContact CD1-CG2 3.91Å; F573-V582 HydrophobicContact CE1-CG1 3.9Å; F573-V582 HydrophobicContact CE1-CG2 4Å |
| 583 | L | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.6 | 178.4 | -74.8 | 72.2 | 0 | 0 | 0 | 108.3 | I33 P34 T35 V523 L556 R571 L572 V574 F581 V585 | I33-L583 HydrophobicContact CG2-CB 3.85Å; I33-L583 HydrophobicContact CG2-CD2 4.12Å; I33-L583 HydrophobicContact CG2-CG 4.19Å; P34-L583 WeakPolarHBondContact O-CA 3.27Å; T35-L583 HydrophobicContact CG2-CD1 3.91Å; T35-L583 HydrophobicContact CG2-CG 4.05Å; V523-L583 HydrophobicContact CB-CD2 4.48Å; V523-L583 HydrophobicContact CG1-CD2 4.36Å; L556-L583 HydrophobicContact CD2-CD1 3.85Å; R571-L583 CarbonylContact C-O 3.52Å; R571-L583 VanDerWaalsContact CA-O 3.3Å; R571-L583 WeakPolarHBondContact CA-O 3.39Å; L572-L583 HydrophobicContact CB-CB 4.18Å; L572-L583 HydrophobicContact CD2-CD2 4.35Å; L572-L583 PolarHBondContact N-O 3.3Å; L572-L583 PolarHBondContact O-N 2.93Å; V574-L583 HydrophobicContact CG2-CD1 4.1Å; F581-L583 HydrophobicContact CB-CD1 3.98Å; L583-V585 HydrophobicContact CB-CG1 4.39Å |
| 584 | K | 94.4 | Very high | 88.6 | Confident | 57 Ų | 57 | 38.7 Ų | 38.7 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.5 | 176.9 | -174.9 | 170.5 | -174.6 | 159 | 0 | 110.3 | I33 P34 Y36 D95 D586 | I33-K584 WeakPolarHBondContact CG2-O 3.27Å; P34-K584 HydrophobicContact CB-CB 4.13Å; P34-K584 HydrophobicContact CG-CB 4.37Å; P34-K584 PolarHBondContact O-N 2.82Å; Y36-K584 HydrophobicContact CE2-CB 4.37Å; D95-K584 WeakPolarHBondContact OD2-CD 3.46Å; D95-K584 WeakPolarHBondContact OD2-CE 3.41Å; D95-K584 IonicContact OD2-NZ 3.6Å; D95-K584 PolarHBondContact OD2-NZ 3.39Å; K584-D586 WeakPolarHBondContact CE-OD2 3.32Å; K584-D586 IonicContact NZ-OD2 2.78Å; K584-D586 PolarHBondContact NZ-OD2 3.34Å |
| 585 | V | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -123.2 | 19.8 | -169 | -63 | 0 | 0 | 0 | 0 | 113.6 | I33 F513 L525 R527 E570 L572 L583 | I33-V585 HydrophobicContact CG2-CG1 4.22Å; F513-V585 HydrophobicContact CD1-CG2 4.48Å; F513-V585 HydrophobicContact CE1-CB 4.16Å; F513-V585 HydrophobicContact CE1-CG2 3.49Å; F513-V585 VanDerWaalsContact CE1-CG2 3.49Å; F513-V585 HydrophobicContact CE2-CG2 4.42Å; F513-V585 HydrophobicContact CZ-CB 4.31Å; F513-V585 HydrophobicContact CZ-CG2 3.48Å; F513-V585 VanDerWaalsContact CZ-CG2 3.48Å; L525-V585 HydrophobicContact CD1-CB 4.33Å; L525-V585 HydrophobicContact CD1-CG1 3.42Å; L525-V585 VanDerWaalsContact CD1-CG1 3.42Å; L525-V585 HydrophobicContact CD2-CG1 4.32Å; R527-V585 VanDerWaalsContact CZ-O 3.24Å; R527-V585 PolarHBondContact NH1-O 3.16Å; R527-V585 VanDerWaalsContact NH2-C 3.33Å; R527-V585 PolarHBondContact NH2-O 3.49Å; E570-V585 VanDerWaalsContact C-CG2 3.4Å; E570-V585 VanDerWaalsContact O-CG2 3.32Å; E570-V585 WeakPolarHBondContact O-CG2 3.41Å; E570-V585 PolarHBondContact O-N 2.91Å; L572-V585 HydrophobicContact CB-CG1 4.34Å; L583-V585 HydrophobicContact CB-CG1 4.39Å | ||
| 586 | D | 74.8 | Confident | 87.2 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | trans | -39.5 | 141.5 | 177.3 | -72.2 | -7.6 | 0 | 0 | 0 | 115.1 | E570 K584 K588 | E570-D586 VanDerWaalsContact CB-OD1 3.25Å; E570-D586 WeakPolarHBondContact CB-OD1 3.39Å; E570-D586 WeakPolarHBondContact CG-OD1 3.42Å; K584-D586 WeakPolarHBondContact CE-OD2 3.32Å; K584-D586 IonicContact NZ-OD2 2.78Å; K584-D586 PolarHBondContact NZ-OD2 3.34Å; D586-K588 PolarHBondContact O-N 3.26Å | ||
| 587 | N | 57.9 | Low | 86.4 | Confident | 85 Ų | 85 | 48.3 Ų | 48.3 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | trans | -77.4 | 58.8 | 179 | -72.7 | -29.5 | 0 | 0 | 0 | 113 | D510 S512 R527 | D510-N587 PolarHBondContact OD2-ND2 2.9Å; S512-N587 WeakPolarHBondContact CB-ND2 3.19Å; S512-N587 WeakPolarHBondContact CB-OD1 3.26Å; S512-N587 PolarHBondContact OG-ND2 2.83Å; S512-N587 PolarHBondContact OG-OD1 2.81Å; R527-N587 PolarHBondContact NH1-OD1 3.24Å | ||
| 588 | K | 46.4 | Very low | 85.7 | Confident | 248 Ų | 248 | 47.8 Ų | 47.8 | 100% | 1.078 | 23% | 0.231 | S | C | * | . | trans | -74.8 | 0 | 167 | -78.2 | -166.9 | 178.3 | -176.2 | 0 | 112.4 | D586 | D586-K588 PolarHBondContact O-N 3.26Š|
Retrieved 588 of 588 residues in 188 ms
(Link to these results)